USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= -0.795 USER MOD Set 2.1: A 54 HIS : no HD1:sc= 0.909 K(o=1.9,f=-6!) USER MOD Set 2.2: A 55 THR OG1 : rot 76:sc= 0.949 USER MOD Set 3.1: A 1 SER N :NH3+ -155:sc= 0.708 (180deg=-0.00591) USER MOD Set 3.2: A 37 THR OG1 : rot 72:sc= 0.832 USER MOD Set 3.3: A 39 GLN : amide:sc= -1.44 K(o=0.1,f=-2.3) USER MOD Set 4.1: A 18 TYR OH : rot -68:sc= 0.533 USER MOD Set 4.2: A 27 HIS : no HD1:sc= -0.395 K(o=0.14,f=-0.63) USER MOD Single : A 1 SER OG : rot -145:sc= 0.659 USER MOD Single : A 4 THR OG1 : rot 91:sc= 0.0522 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0715 USER MOD Single : A 12 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.83) USER MOD Single : A 13 ASN : amide:sc= -8.67! C(o=-8.7!,f=-9.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0132 (180deg=-0.331) USER MOD Single : A 24 SER OG : rot 127:sc= 1.17 USER MOD Single : A 28 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -39:sc= 0.286 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.505 X(o=-0.51,f=-0.28) USER MOD Single : A 46 GLN : amide:sc= -4.41! C(o=-4.4!,f=-2.8!) USER MOD Single : A 50 SER OG : rot 96:sc= 0.379 USER MOD Single : A 59 SER OG : rot 29:sc= 0.27 USER MOD Single : A 65 ASN : amide:sc= -0.013 X(o=-0.013,f=0.079) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 1.14 (180deg=0.835) USER MOD Single : A 71 SER OG : rot -98:sc= 0.504 USER MOD Single : A 75 GLN : amide:sc= -0.594 K(o=-0.59,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.765 -5.273 2.342 1.00 0.00 N ATOM 2 CA SER A 1 -8.931 -4.773 1.209 1.00 0.00 C ATOM 3 C SER A 1 -7.452 -5.051 1.509 1.00 0.00 C ATOM 4 O SER A 1 -7.094 -5.311 2.641 1.00 0.00 O ATOM 5 CB SER A 1 -9.171 -3.267 1.043 1.00 0.00 C ATOM 6 OG SER A 1 -8.345 -2.876 -0.041 1.00 0.00 O ATOM 0 H1 SER A 1 -10.724 -5.484 2.000 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.338 -6.138 2.732 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.814 -4.546 3.084 1.00 0.00 H new ATOM 0 HA SER A 1 -9.203 -5.282 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.220 -3.056 0.835 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.911 -2.724 1.952 1.00 0.00 H new ATOM 0 HG SER A 1 -7.997 -1.974 0.121 1.00 0.00 H new ATOM 11 N ALA A 2 -6.633 -4.988 0.482 1.00 0.00 N ATOM 12 CA ALA A 2 -5.174 -5.248 0.687 1.00 0.00 C ATOM 13 C ALA A 2 -4.266 -4.586 -0.358 1.00 0.00 C ATOM 14 O ALA A 2 -4.505 -4.672 -1.548 1.00 0.00 O ATOM 15 CB ALA A 2 -4.948 -6.759 0.662 1.00 0.00 C ATOM 0 H ALA A 2 -6.909 -4.771 -0.476 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.903 -4.807 1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.889 -6.971 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.526 -7.227 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.267 -7.159 -0.301 1.00 0.00 H new ATOM 21 N PHE A 3 -3.247 -3.941 0.154 1.00 0.00 N ATOM 22 CA PHE A 3 -2.237 -3.231 -0.682 1.00 0.00 C ATOM 23 C PHE A 3 -1.033 -4.160 -0.904 1.00 0.00 C ATOM 24 O PHE A 3 -0.126 -4.210 -0.093 1.00 0.00 O ATOM 25 CB PHE A 3 -1.860 -1.966 0.083 1.00 0.00 C ATOM 26 CG PHE A 3 -0.860 -1.063 -0.668 1.00 0.00 C ATOM 27 CD1 PHE A 3 -1.293 -0.227 -1.680 1.00 0.00 C ATOM 28 CD2 PHE A 3 0.480 -1.057 -0.325 1.00 0.00 C ATOM 29 CE1 PHE A 3 -0.409 0.601 -2.337 1.00 0.00 C ATOM 30 CE2 PHE A 3 1.363 -0.229 -0.983 1.00 0.00 C ATOM 31 CZ PHE A 3 0.924 0.601 -1.988 1.00 0.00 C ATOM 0 H PHE A 3 -3.070 -3.877 1.157 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.616 -2.961 -1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.765 -1.395 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.431 -2.248 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.336 -0.223 -1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.836 -1.705 0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.761 1.250 -3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.407 -0.232 -0.708 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.620 1.249 -2.500 1.00 0.00 H new ATOM 41 N THR A 4 -1.064 -4.876 -2.002 1.00 0.00 N ATOM 42 CA THR A 4 0.057 -5.815 -2.329 1.00 0.00 C ATOM 43 C THR A 4 1.250 -4.953 -2.740 1.00 0.00 C ATOM 44 O THR A 4 1.059 -3.860 -3.232 1.00 0.00 O ATOM 45 CB THR A 4 -0.355 -6.734 -3.486 1.00 0.00 C ATOM 46 OG1 THR A 4 -1.599 -7.289 -3.084 1.00 0.00 O ATOM 47 CG2 THR A 4 0.577 -7.958 -3.576 1.00 0.00 C ATOM 0 H THR A 4 -1.819 -4.851 -2.688 1.00 0.00 H new ATOM 0 HA THR A 4 0.308 -6.443 -1.474 1.00 0.00 H new ATOM 0 HB THR A 4 -0.353 -6.174 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.330 -6.716 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.264 -8.594 -4.404 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.601 -7.624 -3.742 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.526 -8.523 -2.645 1.00 0.00 H new ATOM 55 N VAL A 5 2.432 -5.468 -2.528 1.00 0.00 N ATOM 56 CA VAL A 5 3.687 -4.728 -2.878 1.00 0.00 C ATOM 57 C VAL A 5 4.825 -5.714 -3.248 1.00 0.00 C ATOM 58 O VAL A 5 4.808 -6.856 -2.824 1.00 0.00 O ATOM 59 CB VAL A 5 4.124 -3.870 -1.655 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.046 -2.851 -1.268 1.00 0.00 C ATOM 61 CG2 VAL A 5 4.326 -4.792 -0.435 1.00 0.00 C ATOM 0 H VAL A 5 2.587 -6.389 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 5 3.492 -4.090 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 5 5.041 -3.350 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.386 -2.270 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.859 -2.182 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.126 -3.375 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.632 -4.196 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.391 -5.304 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.098 -5.528 -0.659 1.00 0.00 H new ATOM 71 N TRP A 6 5.773 -5.249 -4.032 1.00 0.00 N ATOM 72 CA TRP A 6 6.926 -6.081 -4.460 1.00 0.00 C ATOM 73 C TRP A 6 8.217 -5.266 -4.291 1.00 0.00 C ATOM 74 O TRP A 6 8.183 -4.048 -4.278 1.00 0.00 O ATOM 75 CB TRP A 6 6.745 -6.467 -5.910 1.00 0.00 C ATOM 76 CG TRP A 6 5.645 -7.520 -6.084 1.00 0.00 C ATOM 77 CD1 TRP A 6 5.855 -8.868 -6.141 1.00 0.00 C ATOM 78 CD2 TRP A 6 4.312 -7.288 -6.221 1.00 0.00 C ATOM 79 NE1 TRP A 6 4.657 -9.374 -6.311 1.00 0.00 N ATOM 80 CE2 TRP A 6 3.663 -8.513 -6.373 1.00 0.00 C ATOM 81 CE3 TRP A 6 3.578 -6.106 -6.239 1.00 0.00 C ATOM 82 CZ2 TRP A 6 2.282 -8.549 -6.542 1.00 0.00 C ATOM 83 CZ3 TRP A 6 2.202 -6.149 -6.408 1.00 0.00 C ATOM 84 CH2 TRP A 6 1.555 -7.369 -6.560 1.00 0.00 C ATOM 0 H TRP A 6 5.787 -4.297 -4.399 1.00 0.00 H new ATOM 0 HA TRP A 6 6.986 -6.984 -3.853 1.00 0.00 H new ATOM 0 HB2 TRP A 6 6.496 -5.581 -6.494 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.685 -6.854 -6.303 1.00 0.00 H new ATOM 0 HD1 TRP A 6 6.793 -9.397 -6.064 1.00 0.00 H new ATOM 0 HE1 TRP A 6 4.504 -10.379 -6.391 1.00 0.00 H new ATOM 0 HE3 TRP A 6 4.079 -5.156 -6.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.777 -9.496 -6.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 1.632 -5.232 -6.421 1.00 0.00 H new ATOM 0 HH2 TRP A 6 0.484 -7.398 -6.692 1.00 0.00 H new ATOM 95 N SER A 7 9.310 -5.979 -4.176 1.00 0.00 N ATOM 96 CA SER A 7 10.653 -5.333 -4.000 1.00 0.00 C ATOM 97 C SER A 7 11.039 -4.419 -5.168 1.00 0.00 C ATOM 98 O SER A 7 11.589 -3.353 -4.965 1.00 0.00 O ATOM 99 CB SER A 7 11.719 -6.433 -3.843 1.00 0.00 C ATOM 100 OG SER A 7 11.577 -7.242 -5.005 1.00 0.00 O ATOM 0 H SER A 7 9.331 -6.999 -4.197 1.00 0.00 H new ATOM 0 HA SER A 7 10.597 -4.706 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.720 -6.007 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.558 -7.013 -2.934 1.00 0.00 H new ATOM 0 HG SER A 7 12.231 -7.971 -4.978 1.00 0.00 H new ATOM 106 N GLY A 8 10.731 -4.880 -6.354 1.00 0.00 N ATOM 107 CA GLY A 8 11.038 -4.118 -7.602 1.00 0.00 C ATOM 108 C GLY A 8 11.656 -5.080 -8.616 1.00 0.00 C ATOM 109 O GLY A 8 12.203 -6.093 -8.223 1.00 0.00 O ATOM 0 H GLY A 8 10.268 -5.775 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.130 -3.672 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.726 -3.300 -7.387 1.00 0.00 H new ATOM 113 N PRO A 9 11.574 -4.754 -9.887 1.00 0.00 N ATOM 114 CA PRO A 9 11.325 -3.388 -10.436 1.00 0.00 C ATOM 115 C PRO A 9 9.828 -3.038 -10.411 1.00 0.00 C ATOM 116 O PRO A 9 9.456 -1.951 -10.016 1.00 0.00 O ATOM 117 CB PRO A 9 11.919 -3.434 -11.853 1.00 0.00 C ATOM 118 CG PRO A 9 12.354 -4.905 -12.107 1.00 0.00 C ATOM 119 CD PRO A 9 11.723 -5.739 -10.985 1.00 0.00 C ATOM 0 HA PRO A 9 11.788 -2.599 -9.844 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.184 -3.115 -12.592 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.770 -2.758 -11.938 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.015 -5.248 -13.084 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.440 -4.997 -12.096 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.763 -6.159 -11.284 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.360 -6.575 -10.695 1.00 0.00 H new ATOM 127 N GLY A 10 9.028 -3.982 -10.837 1.00 0.00 N ATOM 128 CA GLY A 10 7.551 -3.810 -10.877 1.00 0.00 C ATOM 129 C GLY A 10 6.895 -4.621 -9.758 1.00 0.00 C ATOM 130 O GLY A 10 7.366 -4.657 -8.637 1.00 0.00 O ATOM 0 H GLY A 10 9.352 -4.891 -11.168 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.297 -2.756 -10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.166 -4.133 -11.844 1.00 0.00 H new ATOM 134 N CYS A 11 5.815 -5.245 -10.141 1.00 0.00 N ATOM 135 CA CYS A 11 4.988 -6.103 -9.240 1.00 0.00 C ATOM 136 C CYS A 11 5.267 -7.565 -9.617 1.00 0.00 C ATOM 137 O CYS A 11 4.359 -8.375 -9.638 1.00 0.00 O ATOM 138 CB CYS A 11 3.527 -5.749 -9.492 1.00 0.00 C ATOM 139 SG CYS A 11 3.107 -5.777 -11.252 1.00 0.00 S ATOM 0 H CYS A 11 5.454 -5.192 -11.093 1.00 0.00 H new ATOM 0 HA CYS A 11 5.220 -5.952 -8.186 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.888 -6.451 -8.957 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.321 -4.758 -9.087 1.00 0.00 H new ATOM 144 N ASN A 12 6.513 -7.868 -9.898 1.00 0.00 N ATOM 145 CA ASN A 12 6.855 -9.272 -10.290 1.00 0.00 C ATOM 146 C ASN A 12 8.178 -9.780 -9.710 1.00 0.00 C ATOM 147 O ASN A 12 9.128 -9.999 -10.440 1.00 0.00 O ATOM 148 CB ASN A 12 6.913 -9.319 -11.818 1.00 0.00 C ATOM 149 CG ASN A 12 5.712 -8.591 -12.445 1.00 0.00 C ATOM 150 OD1 ASN A 12 4.733 -9.185 -12.852 1.00 0.00 O ATOM 151 ND2 ASN A 12 5.775 -7.286 -12.527 1.00 0.00 N ATOM 0 H ASN A 12 7.296 -7.215 -9.874 1.00 0.00 H new ATOM 0 HA ASN A 12 6.087 -9.928 -9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.840 -8.861 -12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.927 -10.357 -12.152 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.000 -6.763 -12.934 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.599 -6.793 -12.184 1.00 0.00 H new ATOM 158 N ASN A 13 8.224 -9.966 -8.415 1.00 0.00 N ATOM 159 CA ASN A 13 9.479 -10.457 -7.786 1.00 0.00 C ATOM 160 C ASN A 13 9.285 -10.853 -6.317 1.00 0.00 C ATOM 161 O ASN A 13 9.000 -12.006 -6.055 1.00 0.00 O ATOM 162 CB ASN A 13 10.606 -9.341 -7.939 1.00 0.00 C ATOM 163 CG ASN A 13 10.037 -8.015 -8.483 1.00 0.00 C ATOM 164 OD1 ASN A 13 10.350 -7.585 -9.569 1.00 0.00 O ATOM 165 ND2 ASN A 13 9.193 -7.370 -7.743 1.00 0.00 N ATOM 0 H ASN A 13 7.450 -9.799 -7.772 1.00 0.00 H new ATOM 0 HA ASN A 13 9.789 -11.366 -8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.075 -9.164 -6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.386 -9.703 -8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.789 -6.495 -8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.932 -7.737 -6.828 1.00 0.00 H new ATOM 172 N ARG A 14 9.428 -9.932 -5.395 1.00 0.00 N ATOM 173 CA ARG A 14 9.250 -10.285 -3.952 1.00 0.00 C ATOM 174 C ARG A 14 7.784 -10.085 -3.532 1.00 0.00 C ATOM 175 O ARG A 14 7.385 -9.014 -3.121 1.00 0.00 O ATOM 176 CB ARG A 14 10.192 -9.388 -3.134 1.00 0.00 C ATOM 177 CG ARG A 14 10.274 -9.848 -1.665 1.00 0.00 C ATOM 178 CD ARG A 14 11.094 -11.151 -1.577 1.00 0.00 C ATOM 179 NE ARG A 14 11.303 -11.485 -0.134 1.00 0.00 N ATOM 180 CZ ARG A 14 12.271 -12.280 0.253 1.00 0.00 C ATOM 181 NH1 ARG A 14 13.090 -12.814 -0.615 1.00 0.00 N ATOM 182 NH2 ARG A 14 12.391 -12.521 1.529 1.00 0.00 N ATOM 0 H ARG A 14 9.659 -8.956 -5.578 1.00 0.00 H new ATOM 0 HA ARG A 14 9.494 -11.333 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.188 -9.404 -3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.841 -8.357 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.738 -9.072 -1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.272 -10.009 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.570 -11.963 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.053 -11.029 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 14 10.678 -11.085 0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.981 -12.614 -1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.838 -13.431 -0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.743 -12.095 2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.133 -13.135 1.864 1.00 0.00 H new ATOM 196 N ALA A 15 7.021 -11.139 -3.649 1.00 0.00 N ATOM 197 CA ALA A 15 5.571 -11.083 -3.279 1.00 0.00 C ATOM 198 C ALA A 15 5.374 -10.837 -1.772 1.00 0.00 C ATOM 199 O ALA A 15 5.738 -11.658 -0.953 1.00 0.00 O ATOM 200 CB ALA A 15 4.915 -12.411 -3.686 1.00 0.00 C ATOM 0 H ALA A 15 7.341 -12.046 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 15 5.106 -10.248 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.857 -12.390 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.020 -12.554 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.402 -13.233 -3.161 1.00 0.00 H new ATOM 206 N GLU A 16 4.801 -9.699 -1.466 1.00 0.00 N ATOM 207 CA GLU A 16 4.533 -9.309 -0.043 1.00 0.00 C ATOM 208 C GLU A 16 3.215 -8.506 -0.075 1.00 0.00 C ATOM 209 O GLU A 16 2.893 -7.935 -1.097 1.00 0.00 O ATOM 210 CB GLU A 16 5.736 -8.461 0.439 1.00 0.00 C ATOM 211 CG GLU A 16 5.791 -8.302 1.987 1.00 0.00 C ATOM 212 CD GLU A 16 4.589 -7.528 2.564 1.00 0.00 C ATOM 213 OE1 GLU A 16 4.304 -6.468 2.033 1.00 0.00 O ATOM 214 OE2 GLU A 16 4.013 -8.040 3.509 1.00 0.00 O ATOM 0 H GLU A 16 4.501 -9.009 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 16 4.427 -10.150 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.661 -8.924 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.684 -7.474 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.832 -9.290 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.711 -7.786 2.260 1.00 0.00 H new ATOM 221 N ARG A 17 2.483 -8.472 1.013 1.00 0.00 N ATOM 222 CA ARG A 17 1.194 -7.705 1.022 1.00 0.00 C ATOM 223 C ARG A 17 0.823 -7.162 2.413 1.00 0.00 C ATOM 224 O ARG A 17 1.183 -7.726 3.426 1.00 0.00 O ATOM 225 CB ARG A 17 0.094 -8.655 0.489 1.00 0.00 C ATOM 226 CG ARG A 17 -1.281 -7.949 0.364 1.00 0.00 C ATOM 227 CD ARG A 17 -2.271 -8.911 -0.320 1.00 0.00 C ATOM 228 NE ARG A 17 -2.518 -10.069 0.594 1.00 0.00 N ATOM 229 CZ ARG A 17 -3.245 -11.091 0.222 1.00 0.00 C ATOM 230 NH1 ARG A 17 -3.781 -11.125 -0.971 1.00 0.00 N ATOM 231 NH2 ARG A 17 -3.417 -12.063 1.073 1.00 0.00 N ATOM 0 H ARG A 17 2.719 -8.938 1.889 1.00 0.00 H new ATOM 0 HA ARG A 17 1.299 -6.823 0.390 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.392 -9.042 -0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.001 -9.511 1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.650 -7.665 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.183 -7.032 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.206 -8.397 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.866 -9.259 -1.270 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.110 -10.062 1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.633 -10.351 -1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.347 -11.926 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.990 -12.012 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.978 -12.874 0.814 1.00 0.00 H new ATOM 245 N TYR A 18 0.103 -6.066 2.384 1.00 0.00 N ATOM 246 CA TYR A 18 -0.370 -5.373 3.626 1.00 0.00 C ATOM 247 C TYR A 18 -1.907 -5.324 3.571 1.00 0.00 C ATOM 248 O TYR A 18 -2.482 -4.420 2.993 1.00 0.00 O ATOM 249 CB TYR A 18 0.215 -3.942 3.668 1.00 0.00 C ATOM 250 CG TYR A 18 1.730 -3.977 3.943 1.00 0.00 C ATOM 251 CD1 TYR A 18 2.197 -4.184 5.228 1.00 0.00 C ATOM 252 CD2 TYR A 18 2.647 -3.796 2.925 1.00 0.00 C ATOM 253 CE1 TYR A 18 3.551 -4.207 5.492 1.00 0.00 C ATOM 254 CE2 TYR A 18 4.001 -3.821 3.196 1.00 0.00 C ATOM 255 CZ TYR A 18 4.461 -4.026 4.477 1.00 0.00 C ATOM 256 OH TYR A 18 5.818 -4.050 4.733 1.00 0.00 O ATOM 0 H TYR A 18 -0.186 -5.608 1.520 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.044 -5.902 4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.025 -3.439 2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.286 -3.362 4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.494 -4.329 6.034 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.304 -3.634 1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.898 -4.368 6.502 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.708 -3.678 2.392 1.00 0.00 H new ATOM 0 HH TYR A 18 6.062 -3.271 5.275 1.00 0.00 H new ATOM 266 N SER A 19 -2.522 -6.309 4.180 1.00 0.00 N ATOM 267 CA SER A 19 -4.018 -6.405 4.211 1.00 0.00 C ATOM 268 C SER A 19 -4.637 -6.043 5.570 1.00 0.00 C ATOM 269 O SER A 19 -5.772 -5.612 5.626 1.00 0.00 O ATOM 270 CB SER A 19 -4.408 -7.839 3.826 1.00 0.00 C ATOM 271 OG SER A 19 -3.777 -8.666 4.796 1.00 0.00 O ATOM 0 H SER A 19 -2.041 -7.066 4.667 1.00 0.00 H new ATOM 0 HA SER A 19 -4.411 -5.674 3.505 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.490 -7.971 3.839 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.069 -8.083 2.819 1.00 0.00 H new ATOM 0 HG SER A 19 -3.986 -9.605 4.611 1.00 0.00 H new ATOM 277 N LYS A 20 -3.874 -6.232 6.617 1.00 0.00 N ATOM 278 CA LYS A 20 -4.344 -5.926 8.002 1.00 0.00 C ATOM 279 C LYS A 20 -4.908 -4.502 8.142 1.00 0.00 C ATOM 280 O LYS A 20 -4.427 -3.582 7.509 1.00 0.00 O ATOM 281 CB LYS A 20 -3.155 -6.113 8.957 1.00 0.00 C ATOM 282 CG LYS A 20 -2.664 -7.583 8.981 1.00 0.00 C ATOM 283 CD LYS A 20 -3.740 -8.505 9.610 1.00 0.00 C ATOM 284 CE LYS A 20 -3.201 -9.942 9.700 1.00 0.00 C ATOM 285 NZ LYS A 20 -2.903 -10.467 8.337 1.00 0.00 N ATOM 0 H LYS A 20 -2.922 -6.594 6.568 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.161 -6.605 8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.337 -5.461 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.445 -5.810 9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.440 -7.914 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.738 -7.654 9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.007 -8.144 10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.648 -8.484 9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.298 -9.962 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.933 -10.582 10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.803 -11.501 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.680 -10.219 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.017 -10.047 7.989 1.00 0.00 H new ATOM 299 N CYS A 21 -5.915 -4.377 8.976 1.00 0.00 N ATOM 300 CA CYS A 21 -6.558 -3.044 9.210 1.00 0.00 C ATOM 301 C CYS A 21 -5.550 -2.105 9.890 1.00 0.00 C ATOM 302 O CYS A 21 -4.509 -2.543 10.343 1.00 0.00 O ATOM 303 CB CYS A 21 -7.789 -3.227 10.110 1.00 0.00 C ATOM 304 SG CYS A 21 -8.778 -1.752 10.466 1.00 0.00 S ATOM 0 H CYS A 21 -6.321 -5.147 9.508 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.867 -2.611 8.259 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.441 -3.967 9.645 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.455 -3.647 11.059 1.00 0.00 H new ATOM 309 N GLY A 22 -5.884 -0.841 9.945 1.00 0.00 N ATOM 310 CA GLY A 22 -4.967 0.154 10.581 1.00 0.00 C ATOM 311 C GLY A 22 -3.795 0.370 9.618 1.00 0.00 C ATOM 312 O GLY A 22 -3.786 -0.207 8.545 1.00 0.00 O ATOM 0 H GLY A 22 -6.753 -0.454 9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.488 1.093 10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.611 -0.211 11.544 1.00 0.00 H new ATOM 316 N CYS A 23 -2.837 1.177 10.000 1.00 0.00 N ATOM 317 CA CYS A 23 -1.688 1.400 9.074 1.00 0.00 C ATOM 318 C CYS A 23 -0.476 0.525 9.361 1.00 0.00 C ATOM 319 O CYS A 23 -0.141 0.251 10.497 1.00 0.00 O ATOM 320 CB CYS A 23 -1.262 2.859 9.128 1.00 0.00 C ATOM 321 SG CYS A 23 -0.639 3.562 10.670 1.00 0.00 S ATOM 0 H CYS A 23 -2.800 1.678 10.888 1.00 0.00 H new ATOM 0 HA CYS A 23 -2.048 1.124 8.083 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.489 2.999 8.372 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.119 3.458 8.822 1.00 0.00 H new ATOM 326 N SER A 24 0.134 0.123 8.274 1.00 0.00 N ATOM 327 CA SER A 24 1.348 -0.746 8.315 1.00 0.00 C ATOM 328 C SER A 24 2.452 -0.088 7.480 1.00 0.00 C ATOM 329 O SER A 24 2.180 0.452 6.425 1.00 0.00 O ATOM 330 CB SER A 24 0.983 -2.126 7.741 1.00 0.00 C ATOM 331 OG SER A 24 0.519 -1.872 6.421 1.00 0.00 O ATOM 0 H SER A 24 -0.170 0.370 7.332 1.00 0.00 H new ATOM 0 HA SER A 24 1.705 -0.870 9.338 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.847 -2.790 7.733 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.214 -2.611 8.342 1.00 0.00 H new ATOM 0 HG SER A 24 1.015 -2.431 5.787 1.00 0.00 H new ATOM 337 N ALA A 25 3.663 -0.161 7.971 1.00 0.00 N ATOM 338 CA ALA A 25 4.818 0.449 7.242 1.00 0.00 C ATOM 339 C ALA A 25 5.244 -0.464 6.091 1.00 0.00 C ATOM 340 O ALA A 25 5.578 -1.616 6.289 1.00 0.00 O ATOM 341 CB ALA A 25 5.981 0.635 8.222 1.00 0.00 C ATOM 0 H ALA A 25 3.903 -0.619 8.850 1.00 0.00 H new ATOM 0 HA ALA A 25 4.527 1.416 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.829 1.079 7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.670 1.291 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.272 -0.333 8.629 1.00 0.00 H new ATOM 347 N ILE A 26 5.208 0.104 4.913 1.00 0.00 N ATOM 348 CA ILE A 26 5.592 -0.643 3.679 1.00 0.00 C ATOM 349 C ILE A 26 7.118 -0.558 3.534 1.00 0.00 C ATOM 350 O ILE A 26 7.727 0.407 3.955 1.00 0.00 O ATOM 351 CB ILE A 26 4.895 0.004 2.453 1.00 0.00 C ATOM 352 CG1 ILE A 26 3.376 0.214 2.719 1.00 0.00 C ATOM 353 CG2 ILE A 26 5.057 -0.950 1.239 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.876 1.348 1.807 1.00 0.00 C ATOM 0 H ILE A 26 4.924 1.070 4.752 1.00 0.00 H new ATOM 0 HA ILE A 26 5.284 -1.687 3.741 1.00 0.00 H new ATOM 0 HB ILE A 26 5.352 0.974 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.825 -0.705 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.205 0.466 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.573 -0.513 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.117 -1.097 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.595 -1.911 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.812 1.511 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.424 2.263 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.038 1.074 0.764 1.00 0.00 H new ATOM 366 N HIS A 27 7.683 -1.577 2.940 1.00 0.00 N ATOM 367 CA HIS A 27 9.168 -1.636 2.728 1.00 0.00 C ATOM 368 C HIS A 27 9.483 -2.086 1.291 1.00 0.00 C ATOM 369 O HIS A 27 10.602 -1.967 0.827 1.00 0.00 O ATOM 370 CB HIS A 27 9.759 -2.626 3.744 1.00 0.00 C ATOM 371 CG HIS A 27 9.400 -2.156 5.159 1.00 0.00 C ATOM 372 ND1 HIS A 27 8.449 -2.644 5.885 1.00 0.00 N ATOM 373 CD2 HIS A 27 9.961 -1.168 5.952 1.00 0.00 C ATOM 374 CE1 HIS A 27 8.409 -2.029 7.024 1.00 0.00 C ATOM 375 NE2 HIS A 27 9.331 -1.102 7.109 1.00 0.00 N ATOM 0 H HIS A 27 7.173 -2.386 2.586 1.00 0.00 H new ATOM 0 HA HIS A 27 9.608 -0.649 2.873 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.366 -3.627 3.568 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.841 -2.684 3.629 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.793 -0.543 5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.701 -2.253 7.809 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.519 -0.474 7.890 1.00 0.00 H new ATOM 383 N GLN A 28 8.466 -2.588 0.639 1.00 0.00 N ATOM 384 CA GLN A 28 8.575 -3.081 -0.768 1.00 0.00 C ATOM 385 C GLN A 28 8.370 -1.920 -1.741 1.00 0.00 C ATOM 386 O GLN A 28 7.295 -1.662 -2.250 1.00 0.00 O ATOM 387 CB GLN A 28 7.519 -4.160 -0.916 1.00 0.00 C ATOM 388 CG GLN A 28 7.944 -5.370 -0.076 1.00 0.00 C ATOM 389 CD GLN A 28 8.978 -6.198 -0.844 1.00 0.00 C ATOM 390 OE1 GLN A 28 8.632 -7.088 -1.592 1.00 0.00 O ATOM 391 NE2 GLN A 28 10.247 -5.941 -0.689 1.00 0.00 N ATOM 0 H GLN A 28 7.532 -2.679 1.038 1.00 0.00 H new ATOM 0 HA GLN A 28 9.559 -3.493 -0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.549 -3.790 -0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.411 -4.444 -1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.364 -5.036 0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.075 -5.984 0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.543 -5.194 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.944 -6.487 -1.196 1.00 0.00 H new ATOM 400 N LYS A 29 9.478 -1.267 -1.944 1.00 0.00 N ATOM 401 CA LYS A 29 9.585 -0.087 -2.841 1.00 0.00 C ATOM 402 C LYS A 29 9.933 -0.544 -4.267 1.00 0.00 C ATOM 403 O LYS A 29 10.989 -0.247 -4.793 1.00 0.00 O ATOM 404 CB LYS A 29 10.667 0.820 -2.240 1.00 0.00 C ATOM 405 CG LYS A 29 10.220 1.314 -0.840 1.00 0.00 C ATOM 406 CD LYS A 29 11.333 2.152 -0.163 1.00 0.00 C ATOM 407 CE LYS A 29 12.554 1.269 0.179 1.00 0.00 C ATOM 408 NZ LYS A 29 13.583 2.084 0.884 1.00 0.00 N ATOM 0 H LYS A 29 10.360 -1.520 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 29 8.645 0.460 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.608 0.275 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.846 1.672 -2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.315 1.914 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.971 0.459 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.638 2.962 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.946 2.613 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.246 0.433 0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.975 0.845 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.403 1.486 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.886 2.867 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 13.180 2.468 1.762 1.00 0.00 H new ATOM 422 N GLY A 30 9.007 -1.269 -4.838 1.00 0.00 N ATOM 423 CA GLY A 30 9.179 -1.798 -6.226 1.00 0.00 C ATOM 424 C GLY A 30 7.911 -1.629 -7.049 1.00 0.00 C ATOM 425 O GLY A 30 7.920 -1.002 -8.088 1.00 0.00 O ATOM 0 H GLY A 30 8.124 -1.522 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.003 -1.278 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.448 -2.853 -6.183 1.00 0.00 H new ATOM 429 N GLY A 31 6.855 -2.210 -6.549 1.00 0.00 N ATOM 430 CA GLY A 31 5.532 -2.133 -7.241 1.00 0.00 C ATOM 431 C GLY A 31 4.438 -2.446 -6.231 1.00 0.00 C ATOM 432 O GLY A 31 4.748 -2.885 -5.143 1.00 0.00 O ATOM 0 H GLY A 31 6.850 -2.742 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.383 -1.140 -7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.496 -2.841 -8.069 1.00 0.00 H new ATOM 436 N TYR A 32 3.198 -2.210 -6.586 1.00 0.00 N ATOM 437 CA TYR A 32 2.094 -2.511 -5.622 1.00 0.00 C ATOM 438 C TYR A 32 0.721 -2.633 -6.279 1.00 0.00 C ATOM 439 O TYR A 32 0.323 -1.796 -7.061 1.00 0.00 O ATOM 440 CB TYR A 32 2.075 -1.407 -4.534 1.00 0.00 C ATOM 441 CG TYR A 32 1.951 -0.012 -5.142 1.00 0.00 C ATOM 442 CD1 TYR A 32 3.083 0.692 -5.487 1.00 0.00 C ATOM 443 CD2 TYR A 32 0.714 0.557 -5.342 1.00 0.00 C ATOM 444 CE1 TYR A 32 2.979 1.952 -6.024 1.00 0.00 C ATOM 445 CE2 TYR A 32 0.608 1.816 -5.878 1.00 0.00 C ATOM 446 CZ TYR A 32 1.740 2.527 -6.225 1.00 0.00 C ATOM 447 OH TYR A 32 1.638 3.794 -6.761 1.00 0.00 O ATOM 0 H TYR A 32 2.906 -1.829 -7.486 1.00 0.00 H new ATOM 0 HA TYR A 32 2.298 -3.489 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.242 -1.582 -3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.988 -1.465 -3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.057 0.251 -5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.178 0.010 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.873 2.497 -6.291 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.368 2.254 -6.030 1.00 0.00 H new ATOM 0 HH TYR A 32 0.693 4.043 -6.835 1.00 0.00 H new ATOM 457 N ASP A 33 0.036 -3.687 -5.922 1.00 0.00 N ATOM 458 CA ASP A 33 -1.321 -3.960 -6.474 1.00 0.00 C ATOM 459 C ASP A 33 -2.364 -3.863 -5.357 1.00 0.00 C ATOM 460 O ASP A 33 -2.484 -4.754 -4.538 1.00 0.00 O ATOM 461 CB ASP A 33 -1.314 -5.382 -7.105 1.00 0.00 C ATOM 462 CG ASP A 33 -2.685 -5.844 -7.652 1.00 0.00 C ATOM 463 OD1 ASP A 33 -3.667 -5.131 -7.514 1.00 0.00 O ATOM 464 OD2 ASP A 33 -2.663 -6.935 -8.197 1.00 0.00 O ATOM 0 H ASP A 33 0.369 -4.384 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.578 -3.226 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.587 -5.403 -7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.976 -6.097 -6.355 1.00 0.00 H new ATOM 469 N PHE A 34 -3.089 -2.778 -5.368 1.00 0.00 N ATOM 470 CA PHE A 34 -4.144 -2.568 -4.333 1.00 0.00 C ATOM 471 C PHE A 34 -5.399 -3.319 -4.782 1.00 0.00 C ATOM 472 O PHE A 34 -5.596 -3.525 -5.966 1.00 0.00 O ATOM 473 CB PHE A 34 -4.446 -1.066 -4.205 1.00 0.00 C ATOM 474 CG PHE A 34 -5.527 -0.858 -3.128 1.00 0.00 C ATOM 475 CD1 PHE A 34 -5.236 -1.065 -1.793 1.00 0.00 C ATOM 476 CD2 PHE A 34 -6.803 -0.458 -3.480 1.00 0.00 C ATOM 477 CE1 PHE A 34 -6.202 -0.879 -0.829 1.00 0.00 C ATOM 478 CE2 PHE A 34 -7.770 -0.270 -2.514 1.00 0.00 C ATOM 479 CZ PHE A 34 -7.471 -0.480 -1.187 1.00 0.00 C ATOM 0 H PHE A 34 -2.997 -2.025 -6.050 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.811 -2.939 -3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.540 -0.522 -3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.787 -0.668 -5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.243 -1.375 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.045 -0.291 -4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.964 -1.047 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.764 0.043 -2.800 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.227 -0.333 -0.430 1.00 0.00 H new ATOM 489 N SER A 35 -6.203 -3.705 -3.822 1.00 0.00 N ATOM 490 CA SER A 35 -7.459 -4.446 -4.141 1.00 0.00 C ATOM 491 C SER A 35 -8.553 -4.069 -3.144 1.00 0.00 C ATOM 492 O SER A 35 -8.592 -4.554 -2.030 1.00 0.00 O ATOM 493 CB SER A 35 -7.161 -5.959 -4.084 1.00 0.00 C ATOM 494 OG SER A 35 -8.389 -6.574 -4.450 1.00 0.00 O ATOM 0 H SER A 35 -6.042 -3.537 -2.829 1.00 0.00 H new ATOM 0 HA SER A 35 -7.811 -4.184 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.359 -6.232 -4.770 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.845 -6.265 -3.087 1.00 0.00 H new ATOM 0 HG SER A 35 -8.283 -7.548 -4.440 1.00 0.00 H new ATOM 500 N TYR A 36 -9.410 -3.199 -3.612 1.00 0.00 N ATOM 501 CA TYR A 36 -10.554 -2.703 -2.795 1.00 0.00 C ATOM 502 C TYR A 36 -11.610 -3.805 -2.638 1.00 0.00 C ATOM 503 O TYR A 36 -11.960 -4.464 -3.599 1.00 0.00 O ATOM 504 CB TYR A 36 -11.160 -1.496 -3.505 1.00 0.00 C ATOM 505 CG TYR A 36 -12.327 -0.925 -2.685 1.00 0.00 C ATOM 506 CD1 TYR A 36 -12.085 -0.038 -1.657 1.00 0.00 C ATOM 507 CD2 TYR A 36 -13.631 -1.290 -2.961 1.00 0.00 C ATOM 508 CE1 TYR A 36 -13.127 0.477 -0.918 1.00 0.00 C ATOM 509 CE2 TYR A 36 -14.673 -0.773 -2.219 1.00 0.00 C ATOM 510 CZ TYR A 36 -14.426 0.113 -1.192 1.00 0.00 C ATOM 511 OH TYR A 36 -15.465 0.630 -0.446 1.00 0.00 O ATOM 0 H TYR A 36 -9.362 -2.803 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.207 -2.420 -1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.398 -0.730 -3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.510 -1.786 -4.495 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -11.071 0.255 -1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.836 -1.984 -3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -12.923 1.172 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.688 -1.064 -2.444 1.00 0.00 H new ATOM 0 HH TYR A 36 -15.197 0.684 0.495 1.00 0.00 H new ATOM 521 N THR A 37 -12.077 -3.962 -1.426 1.00 0.00 N ATOM 522 CA THR A 37 -13.115 -4.996 -1.117 1.00 0.00 C ATOM 523 C THR A 37 -13.990 -4.403 -0.003 1.00 0.00 C ATOM 524 O THR A 37 -14.176 -4.982 1.050 1.00 0.00 O ATOM 525 CB THR A 37 -12.418 -6.309 -0.641 1.00 0.00 C ATOM 526 OG1 THR A 37 -11.640 -5.929 0.484 1.00 0.00 O ATOM 527 CG2 THR A 37 -11.397 -6.841 -1.668 1.00 0.00 C ATOM 0 H THR A 37 -11.779 -3.409 -0.623 1.00 0.00 H new ATOM 0 HA THR A 37 -13.719 -5.245 -1.990 1.00 0.00 H new ATOM 0 HB THR A 37 -13.178 -7.070 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.232 -5.741 1.243 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.941 -7.755 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.904 -7.053 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.623 -6.091 -1.834 1.00 0.00 H new ATOM 535 N GLY A 38 -14.504 -3.236 -0.298 1.00 0.00 N ATOM 536 CA GLY A 38 -15.370 -2.499 0.647 1.00 0.00 C ATOM 537 C GLY A 38 -14.524 -1.619 1.580 1.00 0.00 C ATOM 538 O GLY A 38 -15.016 -0.644 2.113 1.00 0.00 O ATOM 0 H GLY A 38 -14.349 -2.756 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.076 -1.879 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.957 -3.203 1.236 1.00 0.00 H new ATOM 542 N GLN A 39 -13.276 -1.990 1.744 1.00 0.00 N ATOM 543 CA GLN A 39 -12.347 -1.218 2.625 1.00 0.00 C ATOM 544 C GLN A 39 -11.455 -0.283 1.814 1.00 0.00 C ATOM 545 O GLN A 39 -10.777 -0.700 0.895 1.00 0.00 O ATOM 546 CB GLN A 39 -11.462 -2.184 3.423 1.00 0.00 C ATOM 547 CG GLN A 39 -12.301 -2.905 4.479 1.00 0.00 C ATOM 548 CD GLN A 39 -13.180 -3.981 3.833 1.00 0.00 C ATOM 549 OE1 GLN A 39 -12.700 -5.003 3.385 1.00 0.00 O ATOM 550 NE2 GLN A 39 -14.468 -3.790 3.766 1.00 0.00 N ATOM 0 H GLN A 39 -12.858 -2.806 1.298 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.955 -0.618 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.004 -2.910 2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.650 -1.636 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.646 -3.361 5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.927 -2.185 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.877 -2.934 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.067 -4.497 3.339 1.00 0.00 H new ATOM 559 N THR A 40 -11.493 0.966 2.195 1.00 0.00 N ATOM 560 CA THR A 40 -10.677 2.011 1.500 1.00 0.00 C ATOM 561 C THR A 40 -9.274 2.041 2.122 1.00 0.00 C ATOM 562 O THR A 40 -9.055 1.502 3.191 1.00 0.00 O ATOM 563 CB THR A 40 -11.362 3.386 1.671 1.00 0.00 C ATOM 564 OG1 THR A 40 -12.694 3.188 1.219 1.00 0.00 O ATOM 565 CG2 THR A 40 -10.805 4.441 0.690 1.00 0.00 C ATOM 0 H THR A 40 -12.061 1.313 2.968 1.00 0.00 H new ATOM 0 HA THR A 40 -10.596 1.782 0.437 1.00 0.00 H new ATOM 0 HB THR A 40 -11.232 3.721 2.700 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.195 4.026 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.317 5.390 0.848 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.737 4.571 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.968 4.107 -0.335 1.00 0.00 H new ATOM 573 N ALA A 41 -8.372 2.677 1.420 1.00 0.00 N ATOM 574 CA ALA A 41 -6.960 2.795 1.894 1.00 0.00 C ATOM 575 C ALA A 41 -6.496 4.251 1.837 1.00 0.00 C ATOM 576 O ALA A 41 -7.175 5.105 1.300 1.00 0.00 O ATOM 577 CB ALA A 41 -6.066 1.935 1.007 1.00 0.00 C ATOM 0 H ALA A 41 -8.557 3.127 0.524 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.899 2.454 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.033 2.015 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.388 0.895 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.137 2.280 -0.025 1.00 0.00 H new ATOM 583 N ALA A 42 -5.339 4.473 2.405 1.00 0.00 N ATOM 584 CA ALA A 42 -4.730 5.836 2.443 1.00 0.00 C ATOM 585 C ALA A 42 -3.225 5.685 2.683 1.00 0.00 C ATOM 586 O ALA A 42 -2.821 4.966 3.574 1.00 0.00 O ATOM 587 CB ALA A 42 -5.382 6.628 3.580 1.00 0.00 C ATOM 0 H ALA A 42 -4.778 3.749 2.854 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.890 6.367 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.949 7.627 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.455 6.705 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.208 6.116 4.527 1.00 0.00 H new ATOM 593 N LEU A 43 -2.440 6.364 1.885 1.00 0.00 N ATOM 594 CA LEU A 43 -0.954 6.300 2.014 1.00 0.00 C ATOM 595 C LEU A 43 -0.427 7.464 2.832 1.00 0.00 C ATOM 596 O LEU A 43 -0.548 8.612 2.457 1.00 0.00 O ATOM 597 CB LEU A 43 -0.292 6.350 0.621 1.00 0.00 C ATOM 598 CG LEU A 43 -0.120 4.967 -0.057 1.00 0.00 C ATOM 599 CD1 LEU A 43 0.919 4.093 0.668 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.402 4.221 -0.048 1.00 0.00 C ATOM 0 H LEU A 43 -2.774 6.971 1.136 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.710 5.363 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.891 6.988 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.687 6.819 0.714 1.00 0.00 H new ATOM 0 HG LEU A 43 0.214 5.166 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.007 3.134 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.886 4.597 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.602 3.929 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.263 3.252 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.729 4.072 0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.158 4.789 -0.590 1.00 0.00 H new ATOM 612 N TYR A 44 0.151 7.098 3.938 1.00 0.00 N ATOM 613 CA TYR A 44 0.735 8.094 4.875 1.00 0.00 C ATOM 614 C TYR A 44 2.248 8.191 4.681 1.00 0.00 C ATOM 615 O TYR A 44 2.958 7.210 4.797 1.00 0.00 O ATOM 616 CB TYR A 44 0.402 7.653 6.288 1.00 0.00 C ATOM 617 CG TYR A 44 -1.021 8.096 6.660 1.00 0.00 C ATOM 618 CD1 TYR A 44 -2.124 7.427 6.164 1.00 0.00 C ATOM 619 CD2 TYR A 44 -1.213 9.175 7.503 1.00 0.00 C ATOM 620 CE1 TYR A 44 -3.396 7.835 6.506 1.00 0.00 C ATOM 621 CE2 TYR A 44 -2.486 9.578 7.842 1.00 0.00 C ATOM 622 CZ TYR A 44 -3.584 8.911 7.347 1.00 0.00 C ATOM 623 OH TYR A 44 -4.858 9.317 7.687 1.00 0.00 O ATOM 0 H TYR A 44 0.245 6.128 4.239 1.00 0.00 H new ATOM 0 HA TYR A 44 0.319 9.083 4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.486 6.569 6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.119 8.081 6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.989 6.581 5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.359 9.705 7.898 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.252 7.307 6.112 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.624 10.423 8.501 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.806 10.089 8.288 1.00 0.00 H new ATOM 633 N ASN A 45 2.685 9.390 4.391 1.00 0.00 N ATOM 634 CA ASN A 45 4.140 9.657 4.173 1.00 0.00 C ATOM 635 C ASN A 45 4.887 9.652 5.526 1.00 0.00 C ATOM 636 O ASN A 45 6.088 9.828 5.578 1.00 0.00 O ATOM 637 CB ASN A 45 4.248 11.018 3.461 1.00 0.00 C ATOM 638 CG ASN A 45 5.701 11.322 3.089 1.00 0.00 C ATOM 639 OD1 ASN A 45 6.413 12.009 3.794 1.00 0.00 O ATOM 640 ND2 ASN A 45 6.171 10.820 1.983 1.00 0.00 N ATOM 0 H ASN A 45 2.085 10.209 4.294 1.00 0.00 H new ATOM 0 HA ASN A 45 4.602 8.884 3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.631 11.014 2.562 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.861 11.804 4.109 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.136 11.004 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.574 10.243 1.391 1.00 0.00 H new ATOM 647 N GLN A 46 4.135 9.452 6.579 1.00 0.00 N ATOM 648 CA GLN A 46 4.688 9.410 7.963 1.00 0.00 C ATOM 649 C GLN A 46 4.550 7.968 8.454 1.00 0.00 C ATOM 650 O GLN A 46 3.545 7.327 8.208 1.00 0.00 O ATOM 651 CB GLN A 46 3.881 10.355 8.882 1.00 0.00 C ATOM 652 CG GLN A 46 3.877 11.792 8.305 1.00 0.00 C ATOM 653 CD GLN A 46 2.953 11.927 7.079 1.00 0.00 C ATOM 654 OE1 GLN A 46 3.143 12.790 6.246 1.00 0.00 O ATOM 655 NE2 GLN A 46 1.947 11.110 6.918 1.00 0.00 N ATOM 0 H GLN A 46 3.126 9.312 6.531 1.00 0.00 H new ATOM 0 HA GLN A 46 5.730 9.731 7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.858 9.992 8.980 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.315 10.359 9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.556 12.491 9.078 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.893 12.071 8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.769 10.378 7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.339 11.204 6.105 1.00 0.00 H new ATOM 664 N ALA A 47 5.567 7.503 9.135 1.00 0.00 N ATOM 665 CA ALA A 47 5.553 6.106 9.667 1.00 0.00 C ATOM 666 C ALA A 47 4.352 5.890 10.598 1.00 0.00 C ATOM 667 O ALA A 47 4.014 6.749 11.391 1.00 0.00 O ATOM 668 CB ALA A 47 6.859 5.857 10.432 1.00 0.00 C ATOM 0 H ALA A 47 6.412 8.034 9.347 1.00 0.00 H new ATOM 0 HA ALA A 47 5.466 5.406 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.862 4.841 10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.706 5.988 9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.939 6.566 11.256 1.00 0.00 H new ATOM 674 N GLY A 48 3.747 4.738 10.452 1.00 0.00 N ATOM 675 CA GLY A 48 2.559 4.374 11.284 1.00 0.00 C ATOM 676 C GLY A 48 1.469 5.450 11.225 1.00 0.00 C ATOM 677 O GLY A 48 0.901 5.803 12.240 1.00 0.00 O ATOM 0 H GLY A 48 4.030 4.024 9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.151 3.424 10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.871 4.229 12.318 1.00 0.00 H new ATOM 681 N CYS A 49 1.221 5.929 10.028 1.00 0.00 N ATOM 682 CA CYS A 49 0.191 6.988 9.773 1.00 0.00 C ATOM 683 C CYS A 49 0.143 8.080 10.851 1.00 0.00 C ATOM 684 O CYS A 49 -0.910 8.546 11.244 1.00 0.00 O ATOM 685 CB CYS A 49 -1.190 6.292 9.631 1.00 0.00 C ATOM 686 SG CYS A 49 -1.818 5.182 10.917 1.00 0.00 S ATOM 0 H CYS A 49 1.708 5.617 9.188 1.00 0.00 H new ATOM 0 HA CYS A 49 0.465 7.509 8.856 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.932 7.080 9.501 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.165 5.721 8.703 1.00 0.00 H new ATOM 691 N SER A 50 1.320 8.453 11.290 1.00 0.00 N ATOM 692 CA SER A 50 1.454 9.509 12.341 1.00 0.00 C ATOM 693 C SER A 50 1.544 10.897 11.683 1.00 0.00 C ATOM 694 O SER A 50 2.328 11.739 12.078 1.00 0.00 O ATOM 695 CB SER A 50 2.720 9.201 13.164 1.00 0.00 C ATOM 696 OG SER A 50 2.498 7.889 13.662 1.00 0.00 O ATOM 0 H SER A 50 2.204 8.066 10.961 1.00 0.00 H new ATOM 0 HA SER A 50 0.584 9.513 12.997 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.618 9.247 12.547 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.853 9.918 13.974 1.00 0.00 H new ATOM 0 HG SER A 50 2.933 7.238 13.073 1.00 0.00 H new ATOM 702 N GLY A 51 0.716 11.079 10.685 1.00 0.00 N ATOM 703 CA GLY A 51 0.671 12.369 9.934 1.00 0.00 C ATOM 704 C GLY A 51 -0.651 12.498 9.175 1.00 0.00 C ATOM 705 O GLY A 51 -1.712 12.451 9.767 1.00 0.00 O ATOM 0 H GLY A 51 0.058 10.374 10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.784 13.204 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.506 12.419 9.235 1.00 0.00 H new ATOM 709 N VAL A 52 -0.534 12.658 7.879 1.00 0.00 N ATOM 710 CA VAL A 52 -1.729 12.799 6.986 1.00 0.00 C ATOM 711 C VAL A 52 -1.529 11.904 5.754 1.00 0.00 C ATOM 712 O VAL A 52 -0.411 11.626 5.366 1.00 0.00 O ATOM 713 CB VAL A 52 -1.866 14.293 6.561 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.106 14.490 5.653 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.031 15.184 7.813 1.00 0.00 C ATOM 0 H VAL A 52 0.361 12.698 7.391 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.638 12.494 7.504 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.965 14.573 6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.185 15.539 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.003 13.877 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.004 14.193 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.126 16.226 7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.925 14.883 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.158 15.072 8.457 1.00 0.00 H new ATOM 725 N ALA A 53 -2.622 11.477 5.173 1.00 0.00 N ATOM 726 CA ALA A 53 -2.552 10.598 3.964 1.00 0.00 C ATOM 727 C ALA A 53 -1.962 11.351 2.757 1.00 0.00 C ATOM 728 O ALA A 53 -1.533 12.484 2.875 1.00 0.00 O ATOM 729 CB ALA A 53 -3.963 10.114 3.635 1.00 0.00 C ATOM 0 H ALA A 53 -3.567 11.701 5.486 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.898 9.752 4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.931 9.471 2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.362 9.553 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.604 10.972 3.434 1.00 0.00 H new ATOM 735 N HIS A 54 -1.960 10.689 1.627 1.00 0.00 N ATOM 736 CA HIS A 54 -1.417 11.291 0.372 1.00 0.00 C ATOM 737 C HIS A 54 -2.180 10.744 -0.839 1.00 0.00 C ATOM 738 O HIS A 54 -2.561 11.497 -1.714 1.00 0.00 O ATOM 739 CB HIS A 54 0.077 10.938 0.270 1.00 0.00 C ATOM 740 CG HIS A 54 0.655 11.522 -1.022 1.00 0.00 C ATOM 741 ND1 HIS A 54 0.717 10.895 -2.150 1.00 0.00 N ATOM 742 CD2 HIS A 54 1.210 12.760 -1.289 1.00 0.00 C ATOM 743 CE1 HIS A 54 1.257 11.658 -3.045 1.00 0.00 C ATOM 744 NE2 HIS A 54 1.579 12.829 -2.553 1.00 0.00 N ATOM 0 H HIS A 54 -2.318 9.740 1.520 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.537 12.374 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.614 11.333 1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.207 9.856 0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.325 13.555 -0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.422 11.365 -4.071 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.015 13.614 -3.037 1.00 0.00 H new ATOM 752 N THR A 55 -2.376 9.449 -0.849 1.00 0.00 N ATOM 753 CA THR A 55 -3.107 8.790 -1.975 1.00 0.00 C ATOM 754 C THR A 55 -4.046 7.720 -1.415 1.00 0.00 C ATOM 755 O THR A 55 -3.604 6.749 -0.833 1.00 0.00 O ATOM 756 CB THR A 55 -2.079 8.152 -2.935 1.00 0.00 C ATOM 757 OG1 THR A 55 -1.272 9.237 -3.373 1.00 0.00 O ATOM 758 CG2 THR A 55 -2.753 7.651 -4.228 1.00 0.00 C ATOM 0 H THR A 55 -2.057 8.814 -0.117 1.00 0.00 H new ATOM 0 HA THR A 55 -3.699 9.526 -2.520 1.00 0.00 H new ATOM 0 HB THR A 55 -1.565 7.334 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.652 9.493 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.002 7.208 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.505 6.902 -3.980 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.229 8.488 -4.738 1.00 0.00 H new ATOM 766 N ARG A 56 -5.320 7.944 -1.615 1.00 0.00 N ATOM 767 CA ARG A 56 -6.357 6.987 -1.127 1.00 0.00 C ATOM 768 C ARG A 56 -6.744 6.049 -2.274 1.00 0.00 C ATOM 769 O ARG A 56 -6.647 6.417 -3.429 1.00 0.00 O ATOM 770 CB ARG A 56 -7.615 7.750 -0.654 1.00 0.00 C ATOM 771 CG ARG A 56 -7.345 8.653 0.585 1.00 0.00 C ATOM 772 CD ARG A 56 -6.432 9.865 0.261 1.00 0.00 C ATOM 773 NE ARG A 56 -6.968 10.578 -0.944 1.00 0.00 N ATOM 774 CZ ARG A 56 -8.033 11.341 -0.886 1.00 0.00 C ATOM 775 NH1 ARG A 56 -8.673 11.514 0.241 1.00 0.00 N ATOM 776 NH2 ARG A 56 -8.434 11.920 -1.984 1.00 0.00 N ATOM 0 H ARG A 56 -5.690 8.760 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.952 6.419 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.989 8.366 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.399 7.033 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.295 9.015 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.882 8.055 1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.393 10.544 1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.412 9.528 0.075 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.489 10.466 -1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.345 11.053 1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.500 12.110 0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.923 11.773 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.259 12.520 -1.972 1.00 0.00 H new ATOM 790 N PHE A 57 -7.169 4.863 -1.915 1.00 0.00 N ATOM 791 CA PHE A 57 -7.580 3.854 -2.940 1.00 0.00 C ATOM 792 C PHE A 57 -8.945 3.254 -2.574 1.00 0.00 C ATOM 793 O PHE A 57 -9.080 2.582 -1.568 1.00 0.00 O ATOM 794 CB PHE A 57 -6.550 2.715 -3.013 1.00 0.00 C ATOM 795 CG PHE A 57 -5.156 3.181 -3.466 1.00 0.00 C ATOM 796 CD1 PHE A 57 -4.352 3.975 -2.666 1.00 0.00 C ATOM 797 CD2 PHE A 57 -4.684 2.785 -4.705 1.00 0.00 C ATOM 798 CE1 PHE A 57 -3.102 4.362 -3.103 1.00 0.00 C ATOM 799 CE2 PHE A 57 -3.434 3.172 -5.139 1.00 0.00 C ATOM 800 CZ PHE A 57 -2.642 3.962 -4.336 1.00 0.00 C ATOM 0 H PHE A 57 -7.249 4.548 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.641 4.357 -3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.467 2.246 -2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.912 1.952 -3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.705 4.293 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.302 2.166 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.481 4.982 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.076 2.856 -6.108 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.662 4.267 -4.673 1.00 0.00 H new ATOM 810 N GLY A 58 -9.909 3.528 -3.416 1.00 0.00 N ATOM 811 CA GLY A 58 -11.302 3.020 -3.215 1.00 0.00 C ATOM 812 C GLY A 58 -11.640 1.980 -4.294 1.00 0.00 C ATOM 813 O GLY A 58 -12.783 1.590 -4.440 1.00 0.00 O ATOM 0 H GLY A 58 -9.786 4.096 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.396 2.574 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.010 3.847 -3.260 1.00 0.00 H new ATOM 817 N SER A 59 -10.625 1.562 -5.013 1.00 0.00 N ATOM 818 CA SER A 59 -10.793 0.550 -6.103 1.00 0.00 C ATOM 819 C SER A 59 -9.441 -0.096 -6.449 1.00 0.00 C ATOM 820 O SER A 59 -8.450 0.601 -6.560 1.00 0.00 O ATOM 821 CB SER A 59 -11.376 1.247 -7.352 1.00 0.00 C ATOM 822 OG SER A 59 -10.454 2.285 -7.659 1.00 0.00 O ATOM 0 H SER A 59 -9.667 1.888 -4.886 1.00 0.00 H new ATOM 0 HA SER A 59 -11.472 -0.233 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.475 0.549 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 59 -12.370 1.648 -7.152 1.00 0.00 H new ATOM 0 HG SER A 59 -9.556 2.022 -7.367 1.00 0.00 H new ATOM 828 N SER A 60 -9.449 -1.402 -6.598 1.00 0.00 N ATOM 829 CA SER A 60 -8.222 -2.185 -6.941 1.00 0.00 C ATOM 830 C SER A 60 -7.336 -1.465 -7.974 1.00 0.00 C ATOM 831 O SER A 60 -7.747 -1.256 -9.100 1.00 0.00 O ATOM 832 CB SER A 60 -8.658 -3.557 -7.504 1.00 0.00 C ATOM 833 OG SER A 60 -9.559 -4.107 -6.548 1.00 0.00 O ATOM 0 H SER A 60 -10.287 -1.974 -6.491 1.00 0.00 H new ATOM 0 HA SER A 60 -7.629 -2.302 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.141 -3.444 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.797 -4.210 -7.650 1.00 0.00 H new ATOM 0 HG SER A 60 -9.870 -4.983 -6.858 1.00 0.00 H new ATOM 839 N ALA A 61 -6.150 -1.112 -7.546 1.00 0.00 N ATOM 840 CA ALA A 61 -5.175 -0.400 -8.437 1.00 0.00 C ATOM 841 C ALA A 61 -3.912 -1.256 -8.590 1.00 0.00 C ATOM 842 O ALA A 61 -3.005 -1.185 -7.784 1.00 0.00 O ATOM 843 CB ALA A 61 -4.835 0.958 -7.805 1.00 0.00 C ATOM 0 H ALA A 61 -5.808 -1.289 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.606 -0.238 -9.425 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.127 1.488 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.745 1.550 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.392 0.801 -6.821 1.00 0.00 H new ATOM 849 N ARG A 62 -3.897 -2.045 -9.636 1.00 0.00 N ATOM 850 CA ARG A 62 -2.742 -2.943 -9.920 1.00 0.00 C ATOM 851 C ARG A 62 -1.517 -2.171 -10.462 1.00 0.00 C ATOM 852 O ARG A 62 -1.222 -2.219 -11.641 1.00 0.00 O ATOM 853 CB ARG A 62 -3.212 -4.003 -10.938 1.00 0.00 C ATOM 854 CG ARG A 62 -4.594 -4.604 -10.550 1.00 0.00 C ATOM 855 CD ARG A 62 -4.638 -6.107 -10.882 1.00 0.00 C ATOM 856 NE ARG A 62 -4.358 -6.310 -12.338 1.00 0.00 N ATOM 857 CZ ARG A 62 -3.937 -7.465 -12.796 1.00 0.00 C ATOM 858 NH1 ARG A 62 -3.749 -8.476 -11.988 1.00 0.00 N ATOM 859 NH2 ARG A 62 -3.709 -7.573 -14.076 1.00 0.00 N ATOM 0 H ARG A 62 -4.654 -2.103 -10.317 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.417 -3.413 -8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.277 -3.552 -11.928 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.473 -4.801 -10.999 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.777 -4.455 -9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.388 -4.083 -11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.903 -6.643 -10.282 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.616 -6.517 -10.629 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.497 -5.535 -12.987 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.930 -8.371 -10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.421 -9.369 -12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.859 -6.772 -14.690 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.381 -8.458 -14.463 1.00 0.00 H new ATOM 873 N ALA A 63 -0.833 -1.478 -9.580 1.00 0.00 N ATOM 874 CA ALA A 63 0.376 -0.693 -9.997 1.00 0.00 C ATOM 875 C ALA A 63 1.654 -1.541 -9.889 1.00 0.00 C ATOM 876 O ALA A 63 1.668 -2.555 -9.215 1.00 0.00 O ATOM 877 CB ALA A 63 0.498 0.553 -9.103 1.00 0.00 C ATOM 0 H ALA A 63 -1.060 -1.422 -8.587 1.00 0.00 H new ATOM 0 HA ALA A 63 0.258 -0.396 -11.039 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.374 1.129 -9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.395 1.168 -9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.601 0.245 -8.062 1.00 0.00 H new ATOM 883 N CYS A 64 2.695 -1.104 -10.559 1.00 0.00 N ATOM 884 CA CYS A 64 3.994 -1.850 -10.531 1.00 0.00 C ATOM 885 C CYS A 64 5.175 -0.871 -10.656 1.00 0.00 C ATOM 886 O CYS A 64 5.985 -0.949 -11.558 1.00 0.00 O ATOM 887 CB CYS A 64 3.957 -2.870 -11.692 1.00 0.00 C ATOM 888 SG CYS A 64 2.474 -3.910 -11.691 1.00 0.00 S ATOM 0 H CYS A 64 2.700 -0.257 -11.127 1.00 0.00 H new ATOM 0 HA CYS A 64 4.131 -2.376 -9.586 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.014 -2.333 -12.639 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.839 -3.508 -11.633 1.00 0.00 H new ATOM 893 N ASN A 65 5.209 0.037 -9.714 1.00 0.00 N ATOM 894 CA ASN A 65 6.270 1.082 -9.641 1.00 0.00 C ATOM 895 C ASN A 65 6.540 1.417 -8.157 1.00 0.00 C ATOM 896 O ASN A 65 5.658 1.250 -7.339 1.00 0.00 O ATOM 897 CB ASN A 65 5.781 2.329 -10.391 1.00 0.00 C ATOM 898 CG ASN A 65 6.521 2.456 -11.726 1.00 0.00 C ATOM 899 OD1 ASN A 65 6.279 1.720 -12.661 1.00 0.00 O ATOM 900 ND2 ASN A 65 7.432 3.382 -11.848 1.00 0.00 N ATOM 0 H ASN A 65 4.518 0.097 -8.966 1.00 0.00 H new ATOM 0 HA ASN A 65 7.194 0.727 -10.098 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.707 2.262 -10.565 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.951 3.219 -9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.939 3.486 -12.727 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.637 4.002 -11.064 1.00 0.00 H new ATOM 907 N PRO A 66 7.733 1.873 -7.836 1.00 0.00 N ATOM 908 CA PRO A 66 8.068 2.334 -6.454 1.00 0.00 C ATOM 909 C PRO A 66 7.258 3.595 -6.101 1.00 0.00 C ATOM 910 O PRO A 66 6.502 4.091 -6.916 1.00 0.00 O ATOM 911 CB PRO A 66 9.575 2.590 -6.454 1.00 0.00 C ATOM 912 CG PRO A 66 10.066 2.461 -7.906 1.00 0.00 C ATOM 913 CD PRO A 66 8.889 1.992 -8.776 1.00 0.00 C ATOM 0 HA PRO A 66 7.811 1.594 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.795 3.583 -6.062 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.086 1.873 -5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.445 3.418 -8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.889 1.749 -7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.678 2.706 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.108 1.037 -9.254 1.00 0.00 H new ATOM 921 N PHE A 67 7.441 4.077 -4.897 1.00 0.00 N ATOM 922 CA PHE A 67 6.703 5.300 -4.452 1.00 0.00 C ATOM 923 C PHE A 67 7.480 6.087 -3.384 1.00 0.00 C ATOM 924 O PHE A 67 8.688 5.964 -3.302 1.00 0.00 O ATOM 925 CB PHE A 67 5.315 4.838 -3.928 1.00 0.00 C ATOM 926 CG PHE A 67 5.362 3.818 -2.760 1.00 0.00 C ATOM 927 CD1 PHE A 67 6.148 3.995 -1.627 1.00 0.00 C ATOM 928 CD2 PHE A 67 4.563 2.686 -2.826 1.00 0.00 C ATOM 929 CE1 PHE A 67 6.132 3.085 -0.606 1.00 0.00 C ATOM 930 CE2 PHE A 67 4.550 1.774 -1.799 1.00 0.00 C ATOM 931 CZ PHE A 67 5.335 1.981 -0.693 1.00 0.00 C ATOM 0 H PHE A 67 8.070 3.676 -4.202 1.00 0.00 H new ATOM 0 HA PHE A 67 6.583 5.987 -5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.756 5.715 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.760 4.395 -4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.782 4.866 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.944 2.520 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.749 3.240 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.924 0.896 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.322 1.265 0.115 1.00 0.00 H new ATOM 941 N GLY A 68 6.770 6.869 -2.601 1.00 0.00 N ATOM 942 CA GLY A 68 7.420 7.680 -1.526 1.00 0.00 C ATOM 943 C GLY A 68 6.673 7.652 -0.182 1.00 0.00 C ATOM 944 O GLY A 68 6.903 8.529 0.628 1.00 0.00 O ATOM 0 H GLY A 68 5.758 6.979 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.435 7.314 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.501 8.713 -1.863 1.00 0.00 H new ATOM 948 N TRP A 69 5.812 6.683 0.046 1.00 0.00 N ATOM 949 CA TRP A 69 5.074 6.630 1.348 1.00 0.00 C ATOM 950 C TRP A 69 5.830 5.771 2.376 1.00 0.00 C ATOM 951 O TRP A 69 6.672 4.973 2.018 1.00 0.00 O ATOM 952 CB TRP A 69 3.699 6.038 1.091 1.00 0.00 C ATOM 953 CG TRP A 69 2.957 6.881 0.038 1.00 0.00 C ATOM 954 CD1 TRP A 69 2.581 8.186 0.193 1.00 0.00 C ATOM 955 CD2 TRP A 69 2.565 6.471 -1.206 1.00 0.00 C ATOM 956 NE1 TRP A 69 2.001 8.495 -0.938 1.00 0.00 N ATOM 957 CE2 TRP A 69 1.939 7.543 -1.840 1.00 0.00 C ATOM 958 CE3 TRP A 69 2.674 5.254 -1.875 1.00 0.00 C ATOM 959 CZ2 TRP A 69 1.431 7.403 -3.127 1.00 0.00 C ATOM 960 CZ3 TRP A 69 2.164 5.109 -3.165 1.00 0.00 C ATOM 961 CH2 TRP A 69 1.543 6.185 -3.792 1.00 0.00 C ATOM 0 H TRP A 69 5.592 5.933 -0.610 1.00 0.00 H new ATOM 0 HA TRP A 69 4.987 7.637 1.756 1.00 0.00 H new ATOM 0 HB2 TRP A 69 3.795 5.009 0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.126 6.010 2.018 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.729 8.819 1.055 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.618 9.425 -1.110 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.157 4.417 -1.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.949 8.240 -3.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.251 4.162 -3.677 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.149 6.076 -4.792 1.00 0.00 H new ATOM 972 N LYS A 70 5.490 5.972 3.626 1.00 0.00 N ATOM 973 CA LYS A 70 6.118 5.228 4.761 1.00 0.00 C ATOM 974 C LYS A 70 5.219 4.066 5.192 1.00 0.00 C ATOM 975 O LYS A 70 5.703 2.984 5.468 1.00 0.00 O ATOM 976 CB LYS A 70 6.321 6.201 5.938 1.00 0.00 C ATOM 977 CG LYS A 70 7.645 7.019 5.867 1.00 0.00 C ATOM 978 CD LYS A 70 7.859 7.765 4.521 1.00 0.00 C ATOM 979 CE LYS A 70 8.774 6.943 3.592 1.00 0.00 C ATOM 980 NZ LYS A 70 8.895 7.613 2.270 1.00 0.00 N ATOM 0 H LYS A 70 4.779 6.644 3.914 1.00 0.00 H new ATOM 0 HA LYS A 70 7.079 4.822 4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.480 6.894 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.306 5.635 6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.654 7.747 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.485 6.345 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.898 7.937 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.302 8.743 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.760 6.833 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.368 5.940 3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.244 6.932 1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.964 7.969 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.562 8.408 2.343 1.00 0.00 H new ATOM 994 N SER A 71 3.939 4.336 5.232 1.00 0.00 N ATOM 995 CA SER A 71 2.936 3.308 5.636 1.00 0.00 C ATOM 996 C SER A 71 1.623 3.494 4.873 1.00 0.00 C ATOM 997 O SER A 71 1.495 4.387 4.058 1.00 0.00 O ATOM 998 CB SER A 71 2.691 3.425 7.161 1.00 0.00 C ATOM 999 OG SER A 71 2.311 4.779 7.368 1.00 0.00 O ATOM 0 H SER A 71 3.540 5.245 4.996 1.00 0.00 H new ATOM 0 HA SER A 71 3.321 2.317 5.396 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.909 2.741 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.590 3.176 7.726 1.00 0.00 H new ATOM 0 HG SER A 71 3.090 5.296 7.662 1.00 0.00 H new ATOM 1005 N ILE A 72 0.690 2.626 5.176 1.00 0.00 N ATOM 1006 CA ILE A 72 -0.647 2.672 4.519 1.00 0.00 C ATOM 1007 C ILE A 72 -1.771 2.231 5.456 1.00 0.00 C ATOM 1008 O ILE A 72 -1.820 1.106 5.909 1.00 0.00 O ATOM 1009 CB ILE A 72 -0.621 1.763 3.258 1.00 0.00 C ATOM 1010 CG1 ILE A 72 -2.049 1.698 2.643 1.00 0.00 C ATOM 1011 CG2 ILE A 72 -0.110 0.335 3.609 1.00 0.00 C ATOM 1012 CD1 ILE A 72 -1.991 1.080 1.260 1.00 0.00 C ATOM 0 H ILE A 72 0.802 1.878 5.861 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.851 3.706 4.241 1.00 0.00 H new ATOM 0 HB ILE A 72 0.068 2.189 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.704 1.110 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.475 2.700 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.102 -0.280 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.900 0.399 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.770 -0.116 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.995 1.039 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.352 1.685 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.585 0.071 1.329 1.00 0.00 H new ATOM 1024 N PHE A 73 -2.636 3.177 5.697 1.00 0.00 N ATOM 1025 CA PHE A 73 -3.814 2.963 6.581 1.00 0.00 C ATOM 1026 C PHE A 73 -4.914 2.246 5.776 1.00 0.00 C ATOM 1027 O PHE A 73 -5.458 2.797 4.838 1.00 0.00 O ATOM 1028 CB PHE A 73 -4.276 4.345 7.085 1.00 0.00 C ATOM 1029 CG PHE A 73 -5.565 4.191 7.905 1.00 0.00 C ATOM 1030 CD1 PHE A 73 -5.524 3.691 9.194 1.00 0.00 C ATOM 1031 CD2 PHE A 73 -6.784 4.550 7.359 1.00 0.00 C ATOM 1032 CE1 PHE A 73 -6.685 3.550 9.924 1.00 0.00 C ATOM 1033 CE2 PHE A 73 -7.945 4.410 8.090 1.00 0.00 C ATOM 1034 CZ PHE A 73 -7.896 3.910 9.372 1.00 0.00 C ATOM 0 H PHE A 73 -2.572 4.117 5.305 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.572 2.338 7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.496 4.799 7.696 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.448 5.012 6.240 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.577 3.410 9.631 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.827 4.942 6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.646 3.157 10.929 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.893 4.693 7.657 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.805 3.800 9.944 1.00 0.00 H new ATOM 1044 N ILE A 74 -5.192 1.032 6.186 1.00 0.00 N ATOM 1045 CA ILE A 74 -6.234 0.181 5.524 1.00 0.00 C ATOM 1046 C ILE A 74 -7.437 0.105 6.470 1.00 0.00 C ATOM 1047 O ILE A 74 -7.272 -0.009 7.669 1.00 0.00 O ATOM 1048 CB ILE A 74 -5.660 -1.247 5.275 1.00 0.00 C ATOM 1049 CG1 ILE A 74 -4.382 -1.217 4.383 1.00 0.00 C ATOM 1050 CG2 ILE A 74 -6.731 -2.174 4.635 1.00 0.00 C ATOM 1051 CD1 ILE A 74 -4.675 -0.681 2.966 1.00 0.00 C ATOM 0 H ILE A 74 -4.727 0.582 6.975 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.531 0.606 4.565 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.379 -1.647 6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.624 -0.593 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.967 -2.222 4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.305 -3.164 4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.589 -2.254 5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.051 -1.755 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.755 -0.678 2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.412 -1.320 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.064 0.335 3.035 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.613 0.169 5.904 1.00 0.00 N ATOM 1064 CA GLN A 75 -9.857 0.102 6.728 1.00 0.00 C ATOM 1065 C GLN A 75 -10.200 -1.347 7.095 1.00 0.00 C ATOM 1066 O GLN A 75 -9.877 -2.262 6.362 1.00 0.00 O ATOM 1067 CB GLN A 75 -10.987 0.736 5.926 1.00 0.00 C ATOM 1068 CG GLN A 75 -10.713 2.246 5.814 1.00 0.00 C ATOM 1069 CD GLN A 75 -11.083 2.996 7.108 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -10.600 2.713 8.187 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -11.948 3.970 7.041 1.00 0.00 N ATOM 0 H GLN A 75 -8.767 0.265 4.900 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.709 0.642 7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.047 0.287 4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.945 0.559 6.415 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.659 2.408 5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.283 2.657 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.364 4.222 6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.208 4.480 7.885 1.00 0.00 H new ATOM 1080 N CYS A 76 -10.841 -1.509 8.224 1.00 0.00 N ATOM 1081 CA CYS A 76 -11.237 -2.869 8.697 1.00 0.00 C ATOM 1082 C CYS A 76 -12.387 -3.424 7.833 1.00 0.00 C ATOM 1083 O CYS A 76 -12.269 -4.573 7.440 1.00 0.00 O ATOM 1084 CB CYS A 76 -11.667 -2.756 10.166 1.00 0.00 C ATOM 1085 SG CYS A 76 -10.406 -2.460 11.432 1.00 0.00 S ATOM 1086 OXT CYS A 76 -13.319 -2.667 7.612 1.00 0.00 O ATOM 0 H CYS A 76 -11.110 -0.747 8.846 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.397 -3.558 8.609 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -12.397 -1.949 10.234 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.186 -3.678 10.428 1.00 0.00 H new TER 1091 CYS A 76