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14
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1 <node>CHARMM<value>PDB</value>
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2 <node>*:H1<value>*:1H</value></node>
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3 <node>*:H2<value>*:2H</value></node>
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4 <node>*:H3<value>*:3H</value></node>
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5 <node>*:N<value>*:N</value></node>
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6 <node>*:C<value>*:C</value></node>
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7 <node>*:CA<value>*:CA</value></node>
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8 <node>*:O<value>*:O</value></node>
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9 <node>*:H<value>*:H</value></node>
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10 <node>*:OT1<value>*:O</value></node>
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11 <node>*:OT2<value>*:OXT</value></node>
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12 <node>*:OCT1<value>*:O</value></node>
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13 <node>*:OCT2<value>*:OXT</value></node>
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14 <node>*:HT1<value>*:1H</value></node>
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15 <node>*:HT2<value>*:2H</value></node>
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16 <node>*:HT3<value>*:3H</value></node>
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17 <node>ALA:HB1<value>ALA:1HB</value></node>
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18 <node>ALA:HB2<value>ALA:2HB</value></node>
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19 <node>ALA:HB3<value>ALA:3HB</value></node>
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20 <node>ARG:HB2<value>ARG:1HB</value></node>
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21 <node>ARG:HB3<value>ARG:2HB</value></node>
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22 <node>ARG:HG2<value>ARG:1HG</value></node>
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23 <node>ARG:HG3<value>ARG:2HG</value></node>
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24 <node>ARG:HD2<value>ARG:1HD</value></node>
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25 <node>ARG:HD3<value>ARG:2HD</value></node>
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26 <node>ARG:HH1<value>ARG:1HH1</value></node>
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27 <node>ARG:HH2<value>ARG:1HH2</value></node>
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28 <node>ARG:HH11<value>ARG:1HH1</value></node>
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29 <node>ARG:HH12<value>ARG:2HH1</value></node>
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30 <node>ARG:HH21<value>ARG:1HH2</value></node>
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31 <node>ARG:HH22<value>ARG:2HH2</value></node>
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32 <node>ASN:HB2<value>ASN:1HB</value></node>
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33 <node>ASN:HB3<value>ASN:2HB</value></node>
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34 <node>ASN:HD1<value>ASN:1HD1</value></node>
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35 <node>ASN:HD2<value>ASN:1HD2</value></node>
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36 <node>ASN:HD21<value>ASN:1HD2</value></node>
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37 <node>ASN:HD22<value>ASN:2HD2</value></node>
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38 <node>ASP:HB2<value>ASP:1HB</value></node>
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39 <node>ASP:HB3<value>ASP:2HB</value></node>
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40 <node>CYS:HB2<value>CYS:1HB</value></node>
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41 <node>CYS:HB3<value>CYS:2HB</value></node>
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42 <node>GLU:HB2<value>GLU:1HB</value></node>
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43 <node>GLU:HB3<value>GLU:2HB</value></node>
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44 <node>GLU:HG2<value>GLU:1HG</value></node>
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45 <node>GLU:HG3<value>GLU:2HG</value></node>
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46 <node>GLN:HB2<value>GLN:1HB</value></node>
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47 <node>GLN:HB3<value>GLN:2HB</value></node>
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48 <node>GLN:HG2<value>GLN:1HG</value></node>
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49 <node>GLN:HG3<value>GLN:2HG</value></node>
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50 <node>GLN:HE21<value>GLN:1HE2</value></node>
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51 <node>GLN:HE22<value>GLN:2HE2</value></node>
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52 <node>GLN:HE1<value>GLN:1HE1</value></node>
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53 <node>GLN:HE2<value>GLN:1HE2</value></node>
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54 <node>GLY:HA2<value>GLY:1HA</value></node>
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55 <node>GLY:HA3<value>GLY:2HA</value></node>
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56 <node>HIS:HB2<value>HIS:1HB</value></node>
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57 <node>HIS:HB3<value>HIS:2HB</value></node>
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58 <node>HIE:*<value>HIS:*</value></node>
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59 <node>HID:*<value>HIS:*</value></node>
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60 <node>HIP:*<value>HIS:*</value></node>
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61 <node>ILE:HG21<value>ILE:1HG2</value></node>
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62 <node>ILE:HG22<value>ILE:2HG2</value></node>
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63 <node>ILE:HG23<value>ILE:3HG2</value></node>
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64 <node>ILE:HG12<value>ILE:1HG1</value></node>
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65 <node>ILE:HG13<value>ILE:2HG1</value></node>
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66 <node>ILE:HD11<value>ILE:1HD1</value></node>
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67 <node>ILE:HD12<value>ILE:2HD1</value></node>
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68 <node>ILE:HD13<value>ILE:3HD1</value></node>
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69 <node>ILE:CD<value>ILE:CD1</value></node>
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70 <node>LEU:HB2<value>LEU:1HB</value></node>
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71 <node>LEU:HB3<value>LEU:2HB</value></node>
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72 <node>LEU:HD11<value>LEU:1HD1</value></node>
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73 <node>LEU:HD12<value>LEU:2HD1</value></node>
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74 <node>LEU:HD13<value>LEU:3HD1</value></node>
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75 <node>LEU:HD21<value>LEU:1HD2</value></node>
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76 <node>LEU:HD22<value>LEU:2HD2</value></node>
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77 <node>LEU:HD23<value>LEU:3HD2</value></node>
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78 <node>LYS:HB2<value>LYS:1HB</value></node>
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79 <node>LYS:HB3<value>LYS:2HB</value></node>
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80 <node>LYS:HG2<value>LYS:1HG</value></node>
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81 <node>LYS:HG3<value>LYS:2HG</value></node>
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82 <node>LYS:HD2<value>LYS:1HD</value></node>
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83 <node>LYS:HD3<value>LYS:2HD</value></node>
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84 <node>LYS:HE2<value>LYS:1HE</value></node>
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85 <node>LYS:HE3<value>LYS:2HE</value></node>
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86 <node>LYS:HZ1<value>LYS:1HZ</value></node>
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87 <node>LYS:HZ2<value>LYS:2HZ</value></node>
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88 <node>LYS:HZ3<value>LYS:3HZ</value></node>
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89 <node>MET:HB2<value>MET:1HB</value></node>
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90 <node>MET:HB3<value>MET:2HB</value></node>
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91 <node>MET:HG2<value>MET:1HG</value></node>
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92 <node>MET:HG3<value>MET:2HG</value></node>
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93 <node>MET:HE1<value>MET:1HE</value></node>
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94 <node>MET:HE2<value>MET:2HE</value></node>
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95 <node>MET:HE3<value>MET:3HE</value></node>
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96 <node>PHE:HB2<value>PHE:1HB</value></node>
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97 <node>PHE:HB3<value>PHE:2HB</value></node>
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98 <node>PRO:HD2<value>PRO:1HD</value></node>
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99 <node>PRO:HD3<value>PRO:2HD</value></node>
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100 <node>PRO:HG2<value>PRO:1HG</value></node>
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101 <node>PRO:HG3<value>PRO:2HG</value></node>
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102 <node>PRO:HB2<value>PRO:1HB</value></node>
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103 <node>PRO:HB3<value>PRO:2HB</value></node>
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104 <node>SER:HB2<value>SER:1HB</value></node>
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105 <node>SER:HB3<value>SER:2HB</value></node>
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106 <node>THR:HG21<value>THR:1HG2</value></node>
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107 <node>THR:HG22<value>THR:2HG2</value></node>
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108 <node>THR:HG23<value>THR:3HG2</value></node>
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109 <node>TRP:HB2<value>TRP:1HB</value></node>
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110 <node>TRP:HB3<value>TRP:2HB</value></node>
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111 <node>TYR:HB2<value>TYR:1HB</value></node>
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112 <node>TYR:HB3<value>TYR:2HB</value></node>
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113 <node>VAL:HG11<value>VAL:1HG1</value></node>
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114 <node>VAL:HG12<value>VAL:2HG1</value></node>
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115 <node>VAL:HG13<value>VAL:3HG1</value></node>
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116 <node>VAL:HG21<value>VAL:1HG2</value></node>
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117 <node>VAL:HG22<value>VAL:2HG2</value></node>
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118 <node>VAL:HG23<value>VAL:3HG2</value></node>
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119 <node>ACE:HH31<value>ACE:1HH3</value></node>
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120 <node>ACE:HH32<value>ACE:2HH3</value></node>
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121 <node>ACE:HH33<value>ACE:3HH3</value></node>
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122 <node>NME:HH31<value>NME:1HH3</value></node>
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123 <node>NME:HH32<value>NME:2HH3</value></node>
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124 <node>NME:HH33<value>NME:3HH3</value></node>
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125 <node>ALA:CA<value>ALA:CA</value></node>
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126 <node>ALA:HA<value>ALA:HA</value></node>
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127 <node>ALA:CB<value>ALA:CB</value></node>
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128 <node>ARG:CA<value>ARG:CA</value></node>
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129 <node>ARG:HA<value>ARG:HA</value></node>
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130 <node>ARG:CB<value>ARG:CB</value></node>
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131 <node>ARG:CG<value>ARG:CG</value></node>
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132 <node>ARG:CD<value>ARG:CD</value></node>
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133 <node>ARG:NE<value>ARG:NE</value></node>
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134 <node>ARG:HE<value>ARG:HE</value></node>
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135 <node>ARG:CZ<value>ARG:CZ</value></node>
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136 <node>ARG:NH1<value>ARG:NH1</value></node>
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137 <node>ARG:NH2<value>ARG:NH2</value></node>
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138 <node>ASN:CA<value>ASN:CA</value></node>
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139 <node>ASN:HA<value>ASN:HA</value></node>
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140 <node>ASN:CB<value>ASN:CB</value></node>
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141 <node>ASN:CG<value>ASN:CG</value></node>
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142 <node>ASN:OD1<value>ASN:OD1</value></node>
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143 <node>ASN:ND2<value>ASN:ND2</value></node>
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144 <node>ASP:CA<value>ASP:CA</value></node>
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145 <node>ASP:HA<value>ASP:HA</value></node>
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146 <node>ASP:CB<value>ASP:CB</value></node>
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147 <node>ASP:CG<value>ASP:CG</value></node>
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148 <node>ASP:OD1<value>ASP:OD1</value></node>
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149 <node>ASP:OD2<value>ASP:OD2</value></node>
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150 <node>CYS:CA<value>CYS:CA</value></node>
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151 <node>CYS:HA<value>CYS:HA</value></node>
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152 <node>CYS:CB<value>CYS:CB</value></node>
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153 <node>CYS:SG<value>CYS:SG</value></node>
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154 <node>CYS:HG<value>CYS:HG</value></node>
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155 <node>GLU:CA<value>GLU:CA</value></node>
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156 <node>GLU:HA<value>GLU:HA</value></node>
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157 <node>GLU:CB<value>GLU:CB</value></node>
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158 <node>GLU:CG<value>GLU:CG</value></node>
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159 <node>GLU:CD<value>GLU:CD</value></node>
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160 <node>GLU:OE1<value>GLU:OE1</value></node>
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161 <node>GLU:OE2<value>GLU:OE2</value></node>
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162 <node>GLN:CA<value>GLN:CA</value></node>
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163 <node>GLN:HA<value>GLN:HA</value></node>
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164 <node>GLN:CB<value>GLN:CB</value></node>
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165 <node>GLN:CG<value>GLN:CG</value></node>
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166 <node>GLN:CD<value>GLN:CD</value></node>
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167 <node>GLN:OE1<value>GLN:OE1</value></node>
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168 <node>GLN:NE2<value>GLN:NE2</value></node>
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169 <node>GLY:CA<value>GLY:CA</value></node>
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170 <node>HIS:CA<value>HIS:CA</value></node>
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171 <node>HIS:HA<value>HIS:HA</value></node>
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172 <node>HIS:CB<value>HIS:CB</value></node>
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173 <node>HIS:CG<value>HIS:CG</value></node>
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174 <node>HIS:ND1<value>HIS:ND1</value></node>
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175 <node>HIS:HD1<value>HIS:HD1</value></node>
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176 <node>HIS:CE1<value>HIS:CE1</value></node>
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177 <node>HIS:HE1<value>HIS:HE1</value></node>
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178 <node>HIS:NE2<value>HIS:NE2</value></node>
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179 <node>HIS:HE2<value>HIS:HE2</value></node>
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180 <node>HIS:CD2<value>HIS:CD2</value></node>
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181 <node>HIS:HD2<value>HIS:HD2</value></node>
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182 <node>ILE:CA<value>ILE:CA</value></node>
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183 <node>ILE:HA<value>ILE:HA</value></node>
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184 <node>ILE:CB<value>ILE:CB</value></node>
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185 <node>ILE:HB<value>ILE:HB</value></node>
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186 <node>ILE:CG2<value>ILE:CG2</value></node>
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187 <node>ILE:CG1<value>ILE:CG1</value></node>
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188 <node>ILE:CD1<value>ILE:CD1</value></node>
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189 <node>LEU:CA<value>LEU:CA</value></node>
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190 <node>LEU:HA<value>LEU:HA</value></node>
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191 <node>LEU:CB<value>LEU:CB</value></node>
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192 <node>LEU:CG<value>LEU:CG</value></node>
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193 <node>LEU:HG<value>LEU:HG</value></node>
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194 <node>LEU:CD1<value>LEU:CD1</value></node>
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195 <node>LEU:CD2<value>LEU:CD2</value></node>
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196 <node>LYS:CA<value>LYS:CA</value></node>
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197 <node>LYS:HA<value>LYS:HA</value></node>
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198 <node>LYS:CB<value>LYS:CB</value></node>
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199 <node>LYS:CG<value>LYS:CG</value></node>
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200 <node>LYS:CD<value>LYS:CD</value></node>
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201 <node>LYS:CE<value>LYS:CE</value></node>
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202 <node>LYS:NZ<value>LYS:NZ</value></node>
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203 <node>MET:CA<value>MET:CA</value></node>
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204 <node>MET:HA<value>MET:HA</value></node>
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205 <node>MET:CB<value>MET:CB</value></node>
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206 <node>MET:CG<value>MET:CG</value></node>
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207 <node>MET:SD<value>MET:SD</value></node>
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208 <node>MET:CE<value>MET:CE</value></node>
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209 <node>PHE:CA<value>PHE:CA</value></node>
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210 <node>PHE:HA<value>PHE:HA</value></node>
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211 <node>PHE:CB<value>PHE:CB</value></node>
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212 <node>PHE:CG<value>PHE:CG</value></node>
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213 <node>PHE:CD1<value>PHE:CD1</value></node>
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214 <node>PHE:HD1<value>PHE:HD1</value></node>
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215 <node>PHE:CE1<value>PHE:CE1</value></node>
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216 <node>PHE:HE1<value>PHE:HE1</value></node>
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217 <node>PHE:CZ<value>PHE:CZ</value></node>
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218 <node>PHE:HZ<value>PHE:HZ</value></node>
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219 <node>PHE:CE2<value>PHE:CE2</value></node>
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220 <node>PHE:HE2<value>PHE:HE2</value></node>
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221 <node>PHE:CD2<value>PHE:CD2</value></node>
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222 <node>PHE:HD2<value>PHE:HD2</value></node>
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223 <node>PRO:CA<value>PRO:CA</value></node>
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224 <node>PRO:HA<value>PRO:HA</value></node>
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225 <node>PRO:CD<value>PRO:CD</value></node>
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226 <node>PRO:CG<value>PRO:CG</value></node>
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227 <node>PRO:CB<value>PRO:CB</value></node>
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228 <node>SER:CA<value>SER:CA</value></node>
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229 <node>SER:HA<value>SER:HA</value></node>
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230 <node>SER:CB<value>SER:CB</value></node>
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231 <node>SER:OG<value>SER:OG</value></node>
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232 <node>SER:HG<value>SER:HG</value></node>
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233 <node>THR:CA<value>THR:CA</value></node>
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234 <node>THR:HA<value>THR:HA</value></node>
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235 <node>THR:CB<value>THR:CB</value></node>
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236 <node>THR:HB<value>THR:HB</value></node>
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237 <node>THR:CG2<value>THR:CG2</value></node>
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238 <node>THR:OG1<value>THR:OG1</value></node>
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239 <node>THR:HG1<value>THR:HG1</value></node>
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240 <node>TRP:CA<value>TRP:CA</value></node>
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241 <node>TRP:HA<value>TRP:HA</value></node>
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242 <node>TRP:CB<value>TRP:CB</value></node>
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243 <node>TRP:CG<value>TRP:CG</value></node>
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244 <node>TRP:CD1<value>TRP:CD1</value></node>
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245 <node>TRP:HD1<value>TRP:HD1</value></node>
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246 <node>TRP:NE1<value>TRP:NE1</value></node>
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247 <node>TRP:HE1<value>TRP:HE1</value></node>
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248 <node>TRP:CE2<value>TRP:CE2</value></node>
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249 <node>TRP:CZ2<value>TRP:CZ2</value></node>
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250 <node>TRP:HZ2<value>TRP:HZ2</value></node>
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251 <node>TRP:CH2<value>TRP:CH2</value></node>
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252 <node>TRP:HH2<value>TRP:HH2</value></node>
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253 <node>TRP:CZ3<value>TRP:CZ3</value></node>
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254 <node>TRP:HZ3<value>TRP:HZ3</value></node>
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255 <node>TRP:CE3<value>TRP:CE3</value></node>
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256 <node>TRP:HE3<value>TRP:HE3</value></node>
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257 <node>TRP:CD2<value>TRP:CD2</value></node>
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258 <node>TYR:CA<value>TYR:CA</value></node>
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259 <node>TYR:HA<value>TYR:HA</value></node>
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260 <node>TYR:CB<value>TYR:CB</value></node>
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261 <node>TYR:CG<value>TYR:CG</value></node>
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262 <node>TYR:CD1<value>TYR:CD1</value></node>
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263 <node>TYR:HD1<value>TYR:HD1</value></node>
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264 <node>TYR:CE1<value>TYR:CE1</value></node>
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265 <node>TYR:HE1<value>TYR:HE1</value></node>
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266 <node>TYR:CZ<value>TYR:CZ</value></node>
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267 <node>TYR:OH<value>TYR:OH</value></node>
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268 <node>TYR:HH<value>TYR:HH</value></node>
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269 <node>TYR:CE2<value>TYR:CE2</value></node>
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270 <node>TYR:HE2<value>TYR:HE2</value></node>
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271 <node>TYR:CD2<value>TYR:CD2</value></node>
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272 <node>TYR:HD2<value>TYR:HD2</value></node>
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273 <node>VAL:CA<value>VAL:CA</value></node>
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274 <node>VAL:HA<value>VAL:HA</value></node>
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275 <node>VAL:CB<value>VAL:CB</value></node>
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276 <node>VAL:HB<value>VAL:HB</value></node>
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277 <node>VAL:CG1<value>VAL:CG1</value></node>
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278 <node>VAL:CG2<value>VAL:CG2</value></node>
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279 </node>
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