USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 541 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 32 TYR OH : rot 15:sc= 0.0103 USER MOD Set 1.2: A 58 SER OG : rot -118:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.0378 USER MOD Single : A 3 SER OG : rot 15:sc= 0.0877 USER MOD Single : A 5 SER OG : rot -6:sc= 0.992 USER MOD Single : A 6 SER OG : rot 12:sc= 0.181 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -137:sc= -2.86! (180deg=-6.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc=-7.77e-05 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -10:sc= 0.032! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -140:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.29 X(o=-2.3,f=-2.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0758 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.951 30.340 37.296 1.00 0.00 N ATOM 2 CA GLY A 1 1.742 30.183 35.868 1.00 0.00 C ATOM 3 C GLY A 1 2.902 29.485 35.186 1.00 0.00 C ATOM 4 O GLY A 1 4.004 30.028 35.109 1.00 0.00 O ATOM 0 H1 GLY A 1 1.131 30.822 37.716 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.065 29.404 37.735 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.807 30.906 37.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.828 29.613 35.698 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.595 31.164 35.415 1.00 0.00 H new ATOM 8 N SER A 2 2.654 28.276 34.691 1.00 0.00 N ATOM 9 CA SER A 2 3.688 27.500 34.016 1.00 0.00 C ATOM 10 C SER A 2 3.143 26.860 32.743 1.00 0.00 C ATOM 11 O SER A 2 2.072 26.252 32.750 1.00 0.00 O ATOM 12 CB SER A 2 4.235 26.419 34.951 1.00 0.00 C ATOM 13 OG SER A 2 3.188 25.620 35.474 1.00 0.00 O ATOM 0 H SER A 2 1.747 27.813 34.745 1.00 0.00 H new ATOM 0 HA SER A 2 4.497 28.178 33.743 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.942 25.790 34.410 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.784 26.885 35.769 1.00 0.00 H new ATOM 0 HG SER A 2 2.496 25.500 34.791 1.00 0.00 H new ATOM 19 N SER A 3 3.888 27.001 31.651 1.00 0.00 N ATOM 20 CA SER A 3 3.479 26.440 30.369 1.00 0.00 C ATOM 21 C SER A 3 4.690 25.955 29.577 1.00 0.00 C ATOM 22 O SER A 3 5.833 26.235 29.936 1.00 0.00 O ATOM 23 CB SER A 3 2.708 27.482 29.556 1.00 0.00 C ATOM 24 OG SER A 3 1.364 27.579 29.995 1.00 0.00 O ATOM 0 H SER A 3 4.778 27.499 31.629 1.00 0.00 H new ATOM 0 HA SER A 3 2.829 25.587 30.564 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.195 28.453 29.648 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.730 27.213 28.500 1.00 0.00 H new ATOM 0 HG SER A 3 1.271 27.136 30.864 1.00 0.00 H new ATOM 30 N GLY A 4 4.429 25.225 28.497 1.00 0.00 N ATOM 31 CA GLY A 4 5.506 24.712 27.671 1.00 0.00 C ATOM 32 C GLY A 4 5.564 25.381 26.312 1.00 0.00 C ATOM 33 O GLY A 4 4.956 26.431 26.104 1.00 0.00 O ATOM 0 H GLY A 4 3.491 24.980 28.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.456 24.859 28.185 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.378 23.638 27.538 1.00 0.00 H new ATOM 37 N SER A 5 6.298 24.774 25.386 1.00 0.00 N ATOM 38 CA SER A 5 6.438 25.322 24.041 1.00 0.00 C ATOM 39 C SER A 5 6.947 24.259 23.072 1.00 0.00 C ATOM 40 O SER A 5 7.539 23.261 23.483 1.00 0.00 O ATOM 41 CB SER A 5 7.393 26.517 24.052 1.00 0.00 C ATOM 42 OG SER A 5 6.825 27.618 24.739 1.00 0.00 O ATOM 0 H SER A 5 6.805 23.903 25.541 1.00 0.00 H new ATOM 0 HA SER A 5 5.455 25.654 23.706 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.331 26.232 24.528 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.630 26.806 23.028 1.00 0.00 H new ATOM 0 HG SER A 5 5.900 27.408 24.985 1.00 0.00 H new ATOM 48 N SER A 6 6.710 24.480 21.783 1.00 0.00 N ATOM 49 CA SER A 6 7.140 23.541 20.754 1.00 0.00 C ATOM 50 C SER A 6 7.504 24.274 19.467 1.00 0.00 C ATOM 51 O SER A 6 7.378 25.494 19.377 1.00 0.00 O ATOM 52 CB SER A 6 6.038 22.516 20.477 1.00 0.00 C ATOM 53 OG SER A 6 6.003 21.519 21.484 1.00 0.00 O ATOM 0 H SER A 6 6.222 25.302 21.426 1.00 0.00 H new ATOM 0 HA SER A 6 8.026 23.022 21.118 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.073 23.020 20.426 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.206 22.050 19.506 1.00 0.00 H new ATOM 0 HG SER A 6 6.555 21.801 22.243 1.00 0.00 H new ATOM 59 N GLY A 7 7.957 23.518 18.471 1.00 0.00 N ATOM 60 CA GLY A 7 8.333 24.112 17.201 1.00 0.00 C ATOM 61 C GLY A 7 8.618 23.072 16.136 1.00 0.00 C ATOM 62 O GLY A 7 9.771 22.786 15.810 1.00 0.00 O ATOM 0 H GLY A 7 8.070 22.506 18.521 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.532 24.768 16.859 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.217 24.735 17.342 1.00 0.00 H new ATOM 66 N PRO A 8 7.550 22.484 15.576 1.00 0.00 N ATOM 67 CA PRO A 8 7.666 21.460 14.535 1.00 0.00 C ATOM 68 C PRO A 8 8.168 22.031 13.213 1.00 0.00 C ATOM 69 O PRO A 8 8.042 23.229 12.956 1.00 0.00 O ATOM 70 CB PRO A 8 6.233 20.943 14.384 1.00 0.00 C ATOM 71 CG PRO A 8 5.374 22.074 14.836 1.00 0.00 C ATOM 72 CD PRO A 8 6.148 22.776 15.917 1.00 0.00 C ATOM 0 HA PRO A 8 8.387 20.687 14.803 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.017 20.670 13.351 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.067 20.053 14.990 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.155 22.751 14.011 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.418 21.711 15.213 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.950 23.848 15.922 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.888 22.400 16.906 1.00 0.00 H new ATOM 80 N CYS A 9 8.736 21.167 12.378 1.00 0.00 N ATOM 81 CA CYS A 9 9.257 21.587 11.082 1.00 0.00 C ATOM 82 C CYS A 9 8.120 21.905 10.116 1.00 0.00 C ATOM 83 O CYS A 9 6.946 21.750 10.451 1.00 0.00 O ATOM 84 CB CYS A 9 10.153 20.496 10.493 1.00 0.00 C ATOM 85 SG CYS A 9 9.268 18.998 10.004 1.00 0.00 S ATOM 0 H CYS A 9 8.847 20.172 12.575 1.00 0.00 H new ATOM 0 HA CYS A 9 9.847 22.492 11.230 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.673 20.898 9.623 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.915 20.232 11.226 1.00 0.00 H new ATOM 0 HG CYS A 9 10.110 18.136 9.516 1.00 0.00 H new ATOM 91 N TYR A 10 8.478 22.351 8.917 1.00 0.00 N ATOM 92 CA TYR A 10 7.488 22.695 7.904 1.00 0.00 C ATOM 93 C TYR A 10 8.055 22.504 6.500 1.00 0.00 C ATOM 94 O TYR A 10 9.077 23.090 6.148 1.00 0.00 O ATOM 95 CB TYR A 10 7.023 24.142 8.085 1.00 0.00 C ATOM 96 CG TYR A 10 6.166 24.353 9.312 1.00 0.00 C ATOM 97 CD1 TYR A 10 5.043 23.568 9.543 1.00 0.00 C ATOM 98 CD2 TYR A 10 6.478 25.338 10.240 1.00 0.00 C ATOM 99 CE1 TYR A 10 4.256 23.758 10.662 1.00 0.00 C ATOM 100 CE2 TYR A 10 5.698 25.534 11.363 1.00 0.00 C ATOM 101 CZ TYR A 10 4.588 24.742 11.570 1.00 0.00 C ATOM 102 OH TYR A 10 3.808 24.935 12.687 1.00 0.00 O ATOM 0 H TYR A 10 9.446 22.483 8.623 1.00 0.00 H new ATOM 0 HA TYR A 10 6.635 22.028 8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.897 24.791 8.146 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.461 24.447 7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.781 22.796 8.835 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.345 25.961 10.081 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.386 23.140 10.825 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.956 26.304 12.075 1.00 0.00 H new ATOM 0 HH TYR A 10 4.180 25.666 13.224 1.00 0.00 H new ATOM 112 N GLU A 11 7.383 21.677 5.705 1.00 0.00 N ATOM 113 CA GLU A 11 7.820 21.408 4.340 1.00 0.00 C ATOM 114 C GLU A 11 6.626 21.319 3.394 1.00 0.00 C ATOM 115 O GLU A 11 5.582 20.772 3.745 1.00 0.00 O ATOM 116 CB GLU A 11 8.625 20.107 4.286 1.00 0.00 C ATOM 117 CG GLU A 11 9.490 19.978 3.044 1.00 0.00 C ATOM 118 CD GLU A 11 10.723 19.127 3.278 1.00 0.00 C ATOM 119 OE1 GLU A 11 11.745 19.675 3.740 1.00 0.00 O ATOM 120 OE2 GLU A 11 10.665 17.911 2.999 1.00 0.00 O ATOM 0 H GLU A 11 6.535 21.182 5.982 1.00 0.00 H new ATOM 0 HA GLU A 11 8.455 22.234 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.261 20.046 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.938 19.262 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.900 19.542 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.796 20.971 2.714 1.00 0.00 H new ATOM 127 N ASN A 12 6.789 21.863 2.192 1.00 0.00 N ATOM 128 CA ASN A 12 5.725 21.847 1.195 1.00 0.00 C ATOM 129 C ASN A 12 6.138 21.035 -0.028 1.00 0.00 C ATOM 130 O ASN A 12 6.568 21.590 -1.040 1.00 0.00 O ATOM 131 CB ASN A 12 5.367 23.275 0.777 1.00 0.00 C ATOM 132 CG ASN A 12 4.841 24.101 1.934 1.00 0.00 C ATOM 133 OD1 ASN A 12 5.611 24.711 2.677 1.00 0.00 O ATOM 134 ND2 ASN A 12 3.523 24.125 2.093 1.00 0.00 N ATOM 0 H ASN A 12 7.648 22.320 1.885 1.00 0.00 H new ATOM 0 HA ASN A 12 4.849 21.377 1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.249 23.760 0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.617 23.242 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.111 24.664 2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.923 23.604 1.453 1.00 0.00 H new ATOM 141 N LYS A 13 6.004 19.717 0.070 1.00 0.00 N ATOM 142 CA LYS A 13 6.361 18.826 -1.028 1.00 0.00 C ATOM 143 C LYS A 13 5.159 17.995 -1.468 1.00 0.00 C ATOM 144 O LYS A 13 4.281 17.683 -0.664 1.00 0.00 O ATOM 145 CB LYS A 13 7.508 17.903 -0.611 1.00 0.00 C ATOM 146 CG LYS A 13 7.087 16.806 0.350 1.00 0.00 C ATOM 147 CD LYS A 13 8.289 16.076 0.925 1.00 0.00 C ATOM 148 CE LYS A 13 7.957 14.629 1.257 1.00 0.00 C ATOM 149 NZ LYS A 13 7.680 13.828 0.033 1.00 0.00 N ATOM 0 H LYS A 13 5.650 19.241 0.900 1.00 0.00 H new ATOM 0 HA LYS A 13 6.684 19.439 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.939 17.448 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.293 18.500 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.500 17.237 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.442 16.096 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.111 16.107 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.630 16.588 1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.788 14.182 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.089 14.598 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.852 13.220 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.488 14.468 -0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.506 13.236 -0.189 1.00 0.00 H new ATOM 163 N PHE A 14 5.129 17.639 -2.747 1.00 0.00 N ATOM 164 CA PHE A 14 4.035 16.843 -3.293 1.00 0.00 C ATOM 165 C PHE A 14 4.512 15.440 -3.656 1.00 0.00 C ATOM 166 O PHE A 14 5.219 15.250 -4.646 1.00 0.00 O ATOM 167 CB PHE A 14 3.444 17.528 -4.527 1.00 0.00 C ATOM 168 CG PHE A 14 3.054 18.959 -4.288 1.00 0.00 C ATOM 169 CD1 PHE A 14 1.951 19.269 -3.509 1.00 0.00 C ATOM 170 CD2 PHE A 14 3.789 19.993 -4.845 1.00 0.00 C ATOM 171 CE1 PHE A 14 1.589 20.585 -3.287 1.00 0.00 C ATOM 172 CE2 PHE A 14 3.432 21.311 -4.626 1.00 0.00 C ATOM 173 CZ PHE A 14 2.330 21.607 -3.848 1.00 0.00 C ATOM 0 H PHE A 14 5.849 17.888 -3.425 1.00 0.00 H new ATOM 0 HA PHE A 14 3.263 16.759 -2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.171 17.488 -5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.567 16.971 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.367 18.474 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.650 19.767 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.728 20.813 -2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.015 22.108 -5.063 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.048 22.636 -3.678 1.00 0.00 H new ATOM 183 N ALA A 15 4.121 14.461 -2.847 1.00 0.00 N ATOM 184 CA ALA A 15 4.507 13.075 -3.084 1.00 0.00 C ATOM 185 C ALA A 15 3.653 12.119 -2.258 1.00 0.00 C ATOM 186 O ALA A 15 3.239 12.426 -1.140 1.00 0.00 O ATOM 187 CB ALA A 15 5.982 12.876 -2.766 1.00 0.00 C ATOM 0 H ALA A 15 3.538 14.602 -2.022 1.00 0.00 H new ATOM 0 HA ALA A 15 4.340 12.852 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.256 11.837 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.582 13.526 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.165 13.122 -1.720 1.00 0.00 H new ATOM 193 N PRO A 16 3.381 10.931 -2.819 1.00 0.00 N ATOM 194 CA PRO A 16 2.574 9.906 -2.151 1.00 0.00 C ATOM 195 C PRO A 16 3.293 9.288 -0.958 1.00 0.00 C ATOM 196 O PRO A 16 4.508 9.093 -0.986 1.00 0.00 O ATOM 197 CB PRO A 16 2.355 8.859 -3.246 1.00 0.00 C ATOM 198 CG PRO A 16 3.509 9.032 -4.172 1.00 0.00 C ATOM 199 CD PRO A 16 3.843 10.498 -4.149 1.00 0.00 C ATOM 0 HA PRO A 16 1.650 10.316 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.328 7.852 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.407 9.017 -3.761 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.361 8.433 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.253 8.706 -5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.912 10.669 -4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.334 11.039 -4.947 1.00 0.00 H new ATOM 207 N ARG A 17 2.535 8.981 0.090 1.00 0.00 N ATOM 208 CA ARG A 17 3.102 8.385 1.294 1.00 0.00 C ATOM 209 C ARG A 17 2.395 7.077 1.637 1.00 0.00 C ATOM 210 O ARG A 17 1.175 6.966 1.511 1.00 0.00 O ATOM 211 CB ARG A 17 2.995 9.358 2.469 1.00 0.00 C ATOM 212 CG ARG A 17 3.690 10.687 2.225 1.00 0.00 C ATOM 213 CD ARG A 17 3.728 11.537 3.485 1.00 0.00 C ATOM 214 NE ARG A 17 4.099 12.921 3.202 1.00 0.00 N ATOM 215 CZ ARG A 17 3.705 13.953 3.940 1.00 0.00 C ATOM 216 NH1 ARG A 17 2.932 13.758 5.000 1.00 0.00 N ATOM 217 NH2 ARG A 17 4.084 15.183 3.618 1.00 0.00 N ATOM 0 H ARG A 17 1.527 9.135 0.130 1.00 0.00 H new ATOM 0 HA ARG A 17 4.154 8.171 1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.942 9.542 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.423 8.891 3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.707 10.508 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.172 11.230 1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.750 11.515 3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.440 11.108 4.190 1.00 0.00 H new ATOM 0 HE ARG A 17 4.693 13.105 2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.639 12.814 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.631 14.552 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.678 15.337 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.781 15.975 4.185 1.00 0.00 H new ATOM 231 N CYS A 18 3.170 6.088 2.071 1.00 0.00 N ATOM 232 CA CYS A 18 2.620 4.787 2.432 1.00 0.00 C ATOM 233 C CYS A 18 1.349 4.945 3.263 1.00 0.00 C ATOM 234 O CYS A 18 1.347 5.623 4.289 1.00 0.00 O ATOM 235 CB CYS A 18 3.653 3.971 3.211 1.00 0.00 C ATOM 236 SG CYS A 18 3.095 2.296 3.657 1.00 0.00 S ATOM 0 H CYS A 18 4.181 6.163 2.181 1.00 0.00 H new ATOM 0 HA CYS A 18 2.369 4.259 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.562 3.893 2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.914 4.510 4.122 1.00 0.00 H new ATOM 241 N ALA A 19 0.271 4.313 2.811 1.00 0.00 N ATOM 242 CA ALA A 19 -1.004 4.381 3.513 1.00 0.00 C ATOM 243 C ALA A 19 -0.881 3.832 4.930 1.00 0.00 C ATOM 244 O ALA A 19 -1.737 4.082 5.779 1.00 0.00 O ATOM 245 CB ALA A 19 -2.072 3.619 2.742 1.00 0.00 C ATOM 0 H ALA A 19 0.256 3.748 1.962 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.297 5.429 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.019 3.678 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.188 4.057 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.775 2.575 2.644 1.00 0.00 H new ATOM 251 N ARG A 20 0.189 3.084 5.179 1.00 0.00 N ATOM 252 CA ARG A 20 0.423 2.499 6.494 1.00 0.00 C ATOM 253 C ARG A 20 1.286 3.419 7.352 1.00 0.00 C ATOM 254 O ARG A 20 0.840 3.923 8.383 1.00 0.00 O ATOM 255 CB ARG A 20 1.096 1.132 6.355 1.00 0.00 C ATOM 256 CG ARG A 20 1.554 0.542 7.678 1.00 0.00 C ATOM 257 CD ARG A 20 0.375 0.219 8.583 1.00 0.00 C ATOM 258 NE ARG A 20 -0.005 1.359 9.413 1.00 0.00 N ATOM 259 CZ ARG A 20 -1.234 1.550 9.880 1.00 0.00 C ATOM 260 NH1 ARG A 20 -2.196 0.682 9.599 1.00 0.00 N ATOM 261 NH2 ARG A 20 -1.502 2.612 10.630 1.00 0.00 N ATOM 0 H ARG A 20 0.907 2.869 4.488 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.542 2.373 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.400 0.440 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.956 1.225 5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.131 -0.364 7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.218 1.245 8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.476 -0.086 7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.629 -0.626 9.222 1.00 0.00 H new ATOM 0 HE ARG A 20 0.712 2.046 9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.993 -0.135 9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.139 0.831 9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.764 3.282 10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.446 2.758 10.988 1.00 0.00 H new ATOM 275 N CYS A 21 2.525 3.632 6.920 1.00 0.00 N ATOM 276 CA CYS A 21 3.452 4.490 7.649 1.00 0.00 C ATOM 277 C CYS A 21 3.230 5.957 7.293 1.00 0.00 C ATOM 278 O CYS A 21 3.310 6.834 8.152 1.00 0.00 O ATOM 279 CB CYS A 21 4.897 4.092 7.340 1.00 0.00 C ATOM 280 SG CYS A 21 5.142 2.301 7.110 1.00 0.00 S ATOM 0 H CYS A 21 2.910 3.222 6.069 1.00 0.00 H new ATOM 0 HA CYS A 21 3.266 4.361 8.715 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.221 4.611 6.438 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.538 4.434 8.152 1.00 0.00 H new ATOM 285 N SER A 22 2.950 6.215 6.019 1.00 0.00 N ATOM 286 CA SER A 22 2.719 7.576 5.548 1.00 0.00 C ATOM 287 C SER A 22 3.990 8.412 5.662 1.00 0.00 C ATOM 288 O SER A 22 3.968 9.528 6.182 1.00 0.00 O ATOM 289 CB SER A 22 1.590 8.230 6.347 1.00 0.00 C ATOM 290 OG SER A 22 1.018 9.310 5.630 1.00 0.00 O ATOM 0 H SER A 22 2.878 5.500 5.295 1.00 0.00 H new ATOM 0 HA SER A 22 2.430 7.528 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.822 7.490 6.570 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.975 8.587 7.302 1.00 0.00 H new ATOM 0 HG SER A 22 0.298 9.710 6.161 1.00 0.00 H new ATOM 296 N LYS A 23 5.097 7.865 5.173 1.00 0.00 N ATOM 297 CA LYS A 23 6.378 8.559 5.217 1.00 0.00 C ATOM 298 C LYS A 23 6.661 9.265 3.895 1.00 0.00 C ATOM 299 O LYS A 23 6.491 10.479 3.778 1.00 0.00 O ATOM 300 CB LYS A 23 7.505 7.573 5.532 1.00 0.00 C ATOM 301 CG LYS A 23 7.345 6.874 6.871 1.00 0.00 C ATOM 302 CD LYS A 23 8.479 5.895 7.128 1.00 0.00 C ATOM 303 CE LYS A 23 9.752 6.615 7.546 1.00 0.00 C ATOM 304 NZ LYS A 23 10.874 5.664 7.784 1.00 0.00 N ATOM 0 H LYS A 23 5.133 6.942 4.741 1.00 0.00 H new ATOM 0 HA LYS A 23 6.329 9.310 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.551 6.822 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.456 8.106 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.316 7.616 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.393 6.344 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.185 5.192 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.669 5.311 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.037 7.327 6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.564 7.189 8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.723 6.193 8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.612 5.000 8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.071 5.134 6.911 1.00 0.00 H new ATOM 318 N THR A 24 7.093 8.497 2.899 1.00 0.00 N ATOM 319 CA THR A 24 7.398 9.048 1.585 1.00 0.00 C ATOM 320 C THR A 24 7.559 7.942 0.549 1.00 0.00 C ATOM 321 O THR A 24 8.012 6.842 0.865 1.00 0.00 O ATOM 322 CB THR A 24 8.683 9.897 1.617 1.00 0.00 C ATOM 323 OG1 THR A 24 9.487 9.527 2.744 1.00 0.00 O ATOM 324 CG2 THR A 24 8.351 11.379 1.690 1.00 0.00 C ATOM 0 H THR A 24 7.239 7.491 2.978 1.00 0.00 H new ATOM 0 HA THR A 24 6.558 9.684 1.306 1.00 0.00 H new ATOM 0 HB THR A 24 9.238 9.710 0.698 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.303 10.070 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.274 11.958 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.764 11.664 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.776 11.579 2.594 1.00 0.00 H new ATOM 332 N LEU A 25 7.185 8.241 -0.691 1.00 0.00 N ATOM 333 CA LEU A 25 7.288 7.271 -1.776 1.00 0.00 C ATOM 334 C LEU A 25 7.882 7.914 -3.026 1.00 0.00 C ATOM 335 O LEU A 25 7.430 7.659 -4.142 1.00 0.00 O ATOM 336 CB LEU A 25 5.912 6.684 -2.094 1.00 0.00 C ATOM 337 CG LEU A 25 5.276 5.831 -0.997 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.760 5.949 -1.040 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.704 4.377 -1.136 1.00 0.00 C ATOM 0 H LEU A 25 6.808 9.147 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 25 7.951 6.469 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.234 7.505 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.998 6.076 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 25 5.621 6.200 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.325 5.335 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.472 6.989 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.396 5.607 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.242 3.785 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.389 3.996 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.789 4.308 -1.054 1.00 0.00 H new ATOM 351 N THR A 26 8.899 8.747 -2.830 1.00 0.00 N ATOM 352 CA THR A 26 9.556 9.425 -3.941 1.00 0.00 C ATOM 353 C THR A 26 10.318 8.436 -4.816 1.00 0.00 C ATOM 354 O THR A 26 10.063 8.331 -6.015 1.00 0.00 O ATOM 355 CB THR A 26 10.530 10.508 -3.441 1.00 0.00 C ATOM 356 OG1 THR A 26 11.480 9.932 -2.537 1.00 0.00 O ATOM 357 CG2 THR A 26 9.779 11.633 -2.746 1.00 0.00 C ATOM 0 H THR A 26 9.286 8.968 -1.912 1.00 0.00 H new ATOM 0 HA THR A 26 8.771 9.898 -4.531 1.00 0.00 H new ATOM 0 HB THR A 26 11.053 10.921 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.097 10.626 -2.225 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.488 12.386 -2.402 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.077 12.088 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.232 11.232 -1.892 1.00 0.00 H new ATOM 365 N GLN A 27 11.252 7.713 -4.207 1.00 0.00 N ATOM 366 CA GLN A 27 12.051 6.732 -4.933 1.00 0.00 C ATOM 367 C GLN A 27 11.168 5.855 -5.814 1.00 0.00 C ATOM 368 O GLN A 27 11.450 5.661 -6.995 1.00 0.00 O ATOM 369 CB GLN A 27 12.840 5.861 -3.953 1.00 0.00 C ATOM 370 CG GLN A 27 13.916 6.620 -3.195 1.00 0.00 C ATOM 371 CD GLN A 27 15.213 6.726 -3.972 1.00 0.00 C ATOM 372 OE1 GLN A 27 15.412 7.663 -4.746 1.00 0.00 O ATOM 373 NE2 GLN A 27 16.105 5.764 -3.769 1.00 0.00 N ATOM 0 H GLN A 27 11.474 7.787 -3.214 1.00 0.00 H new ATOM 0 HA GLN A 27 12.749 7.271 -5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.149 5.416 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.303 5.041 -4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 27 13.553 7.621 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.106 6.121 -2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.899 5.006 -3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.997 5.783 -4.264 1.00 0.00 H new ATOM 382 N GLY A 28 10.096 5.326 -5.230 1.00 0.00 N ATOM 383 CA GLY A 28 9.188 4.475 -5.977 1.00 0.00 C ATOM 384 C GLY A 28 8.524 3.429 -5.104 1.00 0.00 C ATOM 385 O GLY A 28 9.134 2.912 -4.169 1.00 0.00 O ATOM 0 H GLY A 28 9.841 5.472 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.422 5.091 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.736 3.980 -6.779 1.00 0.00 H new ATOM 389 N GLY A 29 7.268 3.116 -5.409 1.00 0.00 N ATOM 390 CA GLY A 29 6.541 2.128 -4.635 1.00 0.00 C ATOM 391 C GLY A 29 5.352 1.563 -5.387 1.00 0.00 C ATOM 392 O GLY A 29 5.468 1.184 -6.553 1.00 0.00 O ATOM 0 H GLY A 29 6.742 3.529 -6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.215 1.315 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.197 2.581 -3.705 1.00 0.00 H new ATOM 396 N VAL A 30 4.205 1.503 -4.718 1.00 0.00 N ATOM 397 CA VAL A 30 2.990 0.979 -5.330 1.00 0.00 C ATOM 398 C VAL A 30 1.750 1.658 -4.758 1.00 0.00 C ATOM 399 O VAL A 30 1.842 2.473 -3.840 1.00 0.00 O ATOM 400 CB VAL A 30 2.869 -0.542 -5.126 1.00 0.00 C ATOM 401 CG1 VAL A 30 4.070 -1.259 -5.725 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.725 -0.871 -3.647 1.00 0.00 C ATOM 0 H VAL A 30 4.092 1.811 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 30 3.057 1.190 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 30 1.974 -0.890 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.967 -2.333 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.123 -1.049 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.982 -0.909 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.641 -1.950 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.600 -0.510 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.831 -0.389 -3.252 1.00 0.00 H new ATOM 412 N THR A 31 0.588 1.316 -5.307 1.00 0.00 N ATOM 413 CA THR A 31 -0.671 1.892 -4.853 1.00 0.00 C ATOM 414 C THR A 31 -1.758 0.827 -4.752 1.00 0.00 C ATOM 415 O THR A 31 -2.009 0.090 -5.705 1.00 0.00 O ATOM 416 CB THR A 31 -1.150 3.010 -5.797 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.200 3.760 -5.175 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.645 2.432 -7.114 1.00 0.00 C ATOM 0 H THR A 31 0.494 0.642 -6.067 1.00 0.00 H new ATOM 0 HA THR A 31 -0.487 2.315 -3.865 1.00 0.00 H new ATOM 0 HB THR A 31 -0.306 3.668 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.486 3.305 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.978 3.241 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.836 1.887 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.477 1.754 -6.924 1.00 0.00 H new ATOM 426 N TYR A 32 -2.400 0.753 -3.591 1.00 0.00 N ATOM 427 CA TYR A 32 -3.459 -0.223 -3.365 1.00 0.00 C ATOM 428 C TYR A 32 -4.772 0.470 -3.012 1.00 0.00 C ATOM 429 O TYR A 32 -4.838 1.254 -2.066 1.00 0.00 O ATOM 430 CB TYR A 32 -3.062 -1.188 -2.247 1.00 0.00 C ATOM 431 CG TYR A 32 -4.243 -1.826 -1.550 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.834 -1.222 -0.447 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.768 -3.033 -1.996 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.912 -1.802 0.193 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.847 -3.620 -1.363 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.415 -3.001 -0.269 1.00 0.00 C ATOM 437 OH TYR A 32 -7.490 -3.581 0.365 1.00 0.00 O ATOM 0 H TYR A 32 -2.205 1.357 -2.792 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.603 -0.786 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.429 -1.972 -2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.463 -0.652 -1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.444 -0.283 -0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.325 -3.521 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.359 -1.320 1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.243 -4.558 -1.723 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.918 -2.923 0.951 1.00 0.00 H new ATOM 447 N ARG A 33 -5.815 0.172 -3.780 1.00 0.00 N ATOM 448 CA ARG A 33 -7.127 0.766 -3.551 1.00 0.00 C ATOM 449 C ARG A 33 -7.068 2.285 -3.688 1.00 0.00 C ATOM 450 O ARG A 33 -7.467 3.016 -2.782 1.00 0.00 O ATOM 451 CB ARG A 33 -7.644 0.389 -2.162 1.00 0.00 C ATOM 452 CG ARG A 33 -8.246 -1.005 -2.094 1.00 0.00 C ATOM 453 CD ARG A 33 -9.176 -1.153 -0.900 1.00 0.00 C ATOM 454 NE ARG A 33 -10.361 -0.308 -1.021 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.458 -0.671 -1.677 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.520 -1.857 -2.267 1.00 0.00 N ATOM 457 NH2 ARG A 33 -12.496 0.153 -1.743 1.00 0.00 N ATOM 0 H ARG A 33 -5.777 -0.477 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.811 0.377 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.824 0.457 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.396 1.116 -1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.796 -1.210 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.448 -1.744 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.482 -2.195 -0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.638 -0.895 0.012 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.346 0.611 -0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.724 -2.493 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.363 -2.133 -2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.452 1.066 -1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.338 -0.126 -2.247 1.00 0.00 H new ATOM 471 N ASP A 34 -6.567 2.751 -4.827 1.00 0.00 N ATOM 472 CA ASP A 34 -6.456 4.182 -5.084 1.00 0.00 C ATOM 473 C ASP A 34 -5.718 4.883 -3.947 1.00 0.00 C ATOM 474 O ASP A 34 -6.023 6.026 -3.609 1.00 0.00 O ATOM 475 CB ASP A 34 -7.844 4.799 -5.264 1.00 0.00 C ATOM 476 CG ASP A 34 -8.508 4.362 -6.555 1.00 0.00 C ATOM 477 OD1 ASP A 34 -9.163 3.299 -6.554 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.373 5.083 -7.566 1.00 0.00 O ATOM 0 H ASP A 34 -6.231 2.159 -5.587 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.885 4.318 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.475 4.519 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.760 5.886 -5.252 1.00 0.00 H new ATOM 483 N GLN A 35 -4.748 4.189 -3.361 1.00 0.00 N ATOM 484 CA GLN A 35 -3.969 4.744 -2.261 1.00 0.00 C ATOM 485 C GLN A 35 -2.520 4.274 -2.329 1.00 0.00 C ATOM 486 O GLN A 35 -2.227 3.137 -2.698 1.00 0.00 O ATOM 487 CB GLN A 35 -4.585 4.344 -0.919 1.00 0.00 C ATOM 488 CG GLN A 35 -5.974 4.918 -0.692 1.00 0.00 C ATOM 489 CD GLN A 35 -6.568 4.501 0.639 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.844 5.339 1.499 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.767 3.201 0.818 1.00 0.00 N ATOM 0 H GLN A 35 -4.483 3.241 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.984 5.830 -2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.637 3.257 -0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.928 4.675 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.925 6.006 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.633 4.593 -1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.524 2.541 0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.163 2.862 1.695 1.00 0.00 H new ATOM 500 N PRO A 36 -1.589 5.169 -1.964 1.00 0.00 N ATOM 501 CA PRO A 36 -0.155 4.868 -1.975 1.00 0.00 C ATOM 502 C PRO A 36 0.237 3.872 -0.889 1.00 0.00 C ATOM 503 O PRO A 36 -0.079 4.064 0.285 1.00 0.00 O ATOM 504 CB PRO A 36 0.495 6.229 -1.711 1.00 0.00 C ATOM 505 CG PRO A 36 -0.541 7.007 -0.976 1.00 0.00 C ATOM 506 CD PRO A 36 -1.867 6.543 -1.512 1.00 0.00 C ATOM 0 HA PRO A 36 0.157 4.405 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.405 6.125 -1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.774 6.722 -2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.471 6.832 0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.410 8.078 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.641 6.565 -0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.212 7.174 -2.331 1.00 0.00 H new ATOM 514 N TRP A 37 0.926 2.809 -1.289 1.00 0.00 N ATOM 515 CA TRP A 37 1.361 1.783 -0.348 1.00 0.00 C ATOM 516 C TRP A 37 2.834 1.447 -0.553 1.00 0.00 C ATOM 517 O TRP A 37 3.373 1.612 -1.648 1.00 0.00 O ATOM 518 CB TRP A 37 0.511 0.522 -0.508 1.00 0.00 C ATOM 519 CG TRP A 37 -0.771 0.568 0.268 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.900 1.265 -0.054 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.053 -0.111 1.497 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.867 1.061 0.901 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.372 0.220 1.863 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.320 -0.967 2.324 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -2.971 -0.275 3.018 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -0.915 -1.457 3.470 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.230 -1.111 3.809 1.00 0.00 C ATOM 0 H TRP A 37 1.195 2.635 -2.257 1.00 0.00 H new ATOM 0 HA TRP A 37 1.233 2.173 0.662 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.283 0.377 -1.564 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.092 -0.342 -0.186 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.016 1.885 -0.930 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.802 1.469 0.895 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.694 -1.240 2.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.984 -0.009 3.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.357 -2.118 4.116 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.667 -1.512 4.712 1.00 0.00 H new ATOM 538 N HIS A 38 3.482 0.973 0.507 1.00 0.00 N ATOM 539 CA HIS A 38 4.894 0.612 0.443 1.00 0.00 C ATOM 540 C HIS A 38 5.071 -0.788 -0.136 1.00 0.00 C ATOM 541 O HIS A 38 4.676 -1.779 0.480 1.00 0.00 O ATOM 542 CB HIS A 38 5.525 0.686 1.833 1.00 0.00 C ATOM 543 CG HIS A 38 6.228 1.980 2.104 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.268 2.569 3.351 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.923 2.799 1.281 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.956 3.695 3.282 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.364 3.858 2.036 1.00 0.00 N ATOM 0 H HIS A 38 3.052 0.830 1.421 1.00 0.00 H new ATOM 0 HA HIS A 38 5.396 1.323 -0.213 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.748 0.540 2.584 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.235 -0.134 1.945 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.098 2.648 0.226 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.152 4.368 4.104 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.917 4.643 1.691 1.00 0.00 H new ATOM 555 N ARG A 39 5.665 -0.863 -1.322 1.00 0.00 N ATOM 556 CA ARG A 39 5.892 -2.142 -1.984 1.00 0.00 C ATOM 557 C ARG A 39 6.174 -3.240 -0.963 1.00 0.00 C ATOM 558 O ARG A 39 5.752 -4.383 -1.135 1.00 0.00 O ATOM 559 CB ARG A 39 7.060 -2.032 -2.966 1.00 0.00 C ATOM 560 CG ARG A 39 6.869 -2.849 -4.234 1.00 0.00 C ATOM 561 CD ARG A 39 8.018 -2.643 -5.208 1.00 0.00 C ATOM 562 NE ARG A 39 9.237 -3.315 -4.766 1.00 0.00 N ATOM 563 CZ ARG A 39 10.164 -3.776 -5.598 1.00 0.00 C ATOM 564 NH1 ARG A 39 10.012 -3.638 -6.908 1.00 0.00 N ATOM 565 NH2 ARG A 39 11.246 -4.377 -5.120 1.00 0.00 N ATOM 0 H ARG A 39 5.998 -0.053 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 39 4.988 -2.404 -2.533 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.199 -0.985 -3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.974 -2.357 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.792 -3.906 -3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.931 -2.567 -4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.732 -3.019 -6.190 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.212 -1.576 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 39 9.384 -3.437 -3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.181 -3.177 -7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.726 -3.993 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.366 -4.485 -4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.957 -4.731 -5.760 1.00 0.00 H new ATOM 579 N GLU A 40 6.890 -2.884 0.099 1.00 0.00 N ATOM 580 CA GLU A 40 7.230 -3.840 1.146 1.00 0.00 C ATOM 581 C GLU A 40 6.043 -4.071 2.077 1.00 0.00 C ATOM 582 O GLU A 40 5.687 -5.211 2.377 1.00 0.00 O ATOM 583 CB GLU A 40 8.433 -3.344 1.950 1.00 0.00 C ATOM 584 CG GLU A 40 8.223 -1.977 2.580 1.00 0.00 C ATOM 585 CD GLU A 40 9.510 -1.372 3.105 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.584 -1.688 2.550 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.444 -0.582 4.070 1.00 0.00 O ATOM 0 H GLU A 40 7.246 -1.941 0.257 1.00 0.00 H new ATOM 0 HA GLU A 40 7.486 -4.786 0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.657 -4.066 2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.304 -3.303 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.785 -1.305 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.507 -2.064 3.397 1.00 0.00 H new ATOM 594 N CYS A 41 5.433 -2.981 2.531 1.00 0.00 N ATOM 595 CA CYS A 41 4.287 -3.063 3.428 1.00 0.00 C ATOM 596 C CYS A 41 3.139 -3.827 2.775 1.00 0.00 C ATOM 597 O CYS A 41 2.625 -4.796 3.336 1.00 0.00 O ATOM 598 CB CYS A 41 3.821 -1.660 3.823 1.00 0.00 C ATOM 599 SG CYS A 41 4.951 -0.794 4.959 1.00 0.00 S ATOM 0 H CYS A 41 5.714 -2.030 2.292 1.00 0.00 H new ATOM 0 HA CYS A 41 4.596 -3.602 4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.701 -1.061 2.920 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.839 -1.733 4.290 1.00 0.00 H new ATOM 604 N LEU A 42 2.741 -3.385 1.587 1.00 0.00 N ATOM 605 CA LEU A 42 1.654 -4.027 0.857 1.00 0.00 C ATOM 606 C LEU A 42 1.823 -5.543 0.850 1.00 0.00 C ATOM 607 O LEU A 42 2.531 -6.095 0.007 1.00 0.00 O ATOM 608 CB LEU A 42 1.598 -3.502 -0.579 1.00 0.00 C ATOM 609 CG LEU A 42 0.494 -4.082 -1.463 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.869 -3.573 -1.019 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.744 -3.738 -2.924 1.00 0.00 C ATOM 0 H LEU A 42 3.155 -2.585 1.109 1.00 0.00 H new ATOM 0 HA LEU A 42 0.718 -3.787 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.477 -2.419 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.558 -3.700 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 42 0.505 -5.167 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.642 -3.997 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.050 -3.871 0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.893 -2.486 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.052 -4.159 -3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.761 -2.655 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.702 -4.153 -3.237 1.00 0.00 H new ATOM 623 N VAL A 43 1.166 -6.211 1.793 1.00 0.00 N ATOM 624 CA VAL A 43 1.241 -7.664 1.893 1.00 0.00 C ATOM 625 C VAL A 43 -0.097 -8.254 2.324 1.00 0.00 C ATOM 626 O VAL A 43 -0.883 -7.602 3.012 1.00 0.00 O ATOM 627 CB VAL A 43 2.329 -8.102 2.892 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.690 -7.574 2.466 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.982 -7.632 4.297 1.00 0.00 C ATOM 0 H VAL A 43 0.576 -5.769 2.498 1.00 0.00 H new ATOM 0 HA VAL A 43 1.497 -8.038 0.902 1.00 0.00 H new ATOM 0 HB VAL A 43 2.374 -9.191 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.445 -7.894 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.939 -7.964 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.662 -6.485 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.761 -7.950 4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.908 -6.545 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.028 -8.064 4.600 1.00 0.00 H new ATOM 639 N CYS A 44 -0.349 -9.493 1.915 1.00 0.00 N ATOM 640 CA CYS A 44 -1.592 -10.174 2.258 1.00 0.00 C ATOM 641 C CYS A 44 -1.892 -10.041 3.749 1.00 0.00 C ATOM 642 O CYS A 44 -0.981 -10.009 4.577 1.00 0.00 O ATOM 643 CB CYS A 44 -1.512 -11.652 1.873 1.00 0.00 C ATOM 644 SG CYS A 44 -3.030 -12.596 2.225 1.00 0.00 S ATOM 0 H CYS A 44 0.291 -10.046 1.345 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.401 -9.703 1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.289 -11.728 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.680 -12.111 2.407 1.00 0.00 H new ATOM 649 N THR A 45 -3.176 -9.964 4.084 1.00 0.00 N ATOM 650 CA THR A 45 -3.597 -9.833 5.473 1.00 0.00 C ATOM 651 C THR A 45 -3.790 -11.200 6.120 1.00 0.00 C ATOM 652 O THR A 45 -4.483 -11.328 7.128 1.00 0.00 O ATOM 653 CB THR A 45 -4.908 -9.033 5.590 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.909 -7.954 4.648 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.083 -8.484 6.998 1.00 0.00 C ATOM 0 H THR A 45 -3.943 -9.990 3.412 1.00 0.00 H new ATOM 0 HA THR A 45 -2.805 -9.296 5.994 1.00 0.00 H new ATOM 0 HB THR A 45 -5.739 -9.705 5.373 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.300 -7.157 5.064 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.016 -7.923 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.111 -9.309 7.709 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.248 -7.826 7.238 1.00 0.00 H new ATOM 663 N GLY A 46 -3.171 -12.220 5.533 1.00 0.00 N ATOM 664 CA GLY A 46 -3.287 -13.565 6.067 1.00 0.00 C ATOM 665 C GLY A 46 -1.954 -14.285 6.117 1.00 0.00 C ATOM 666 O GLY A 46 -1.535 -14.758 7.174 1.00 0.00 O ATOM 0 H GLY A 46 -2.591 -12.139 4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.710 -13.519 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.983 -14.137 5.454 1.00 0.00 H new ATOM 670 N CYS A 47 -1.286 -14.372 4.972 1.00 0.00 N ATOM 671 CA CYS A 47 0.005 -15.042 4.888 1.00 0.00 C ATOM 672 C CYS A 47 1.146 -14.029 4.911 1.00 0.00 C ATOM 673 O CYS A 47 2.315 -14.399 5.016 1.00 0.00 O ATOM 674 CB CYS A 47 0.084 -15.886 3.614 1.00 0.00 C ATOM 675 SG CYS A 47 -0.164 -14.939 2.078 1.00 0.00 S ATOM 0 H CYS A 47 -1.618 -13.986 4.088 1.00 0.00 H new ATOM 0 HA CYS A 47 0.104 -15.695 5.755 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.058 -16.374 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.666 -16.675 3.667 1.00 0.00 H new ATOM 680 N GLN A 48 0.797 -12.751 4.812 1.00 0.00 N ATOM 681 CA GLN A 48 1.792 -11.685 4.821 1.00 0.00 C ATOM 682 C GLN A 48 2.724 -11.800 3.620 1.00 0.00 C ATOM 683 O GLN A 48 3.947 -11.754 3.762 1.00 0.00 O ATOM 684 CB GLN A 48 2.603 -11.726 6.118 1.00 0.00 C ATOM 685 CG GLN A 48 1.931 -11.013 7.279 1.00 0.00 C ATOM 686 CD GLN A 48 1.765 -9.526 7.034 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.718 -8.755 7.154 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.551 -9.115 6.687 1.00 0.00 N ATOM 0 H GLN A 48 -0.167 -12.428 4.725 1.00 0.00 H new ATOM 0 HA GLN A 48 1.267 -10.732 4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.779 -12.766 6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.579 -11.274 5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.953 -11.459 7.457 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.520 -11.165 8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.210 -9.789 6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.379 -8.126 6.508 1.00 0.00 H new ATOM 697 N THR A 49 2.140 -11.950 2.436 1.00 0.00 N ATOM 698 CA THR A 49 2.918 -12.073 1.209 1.00 0.00 C ATOM 699 C THR A 49 2.853 -10.792 0.386 1.00 0.00 C ATOM 700 O THR A 49 1.816 -10.136 0.295 1.00 0.00 O ATOM 701 CB THR A 49 2.424 -13.250 0.347 1.00 0.00 C ATOM 702 OG1 THR A 49 3.395 -13.561 -0.659 1.00 0.00 O ATOM 703 CG2 THR A 49 1.093 -12.918 -0.311 1.00 0.00 C ATOM 0 H THR A 49 1.130 -11.989 2.300 1.00 0.00 H new ATOM 0 HA THR A 49 3.950 -12.258 1.506 1.00 0.00 H new ATOM 0 HB THR A 49 2.284 -14.114 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.075 -14.311 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.764 -13.764 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.349 -12.710 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.211 -12.042 -0.948 1.00 0.00 H new ATOM 711 N PRO A 50 3.987 -10.426 -0.230 1.00 0.00 N ATOM 712 CA PRO A 50 4.084 -9.220 -1.058 1.00 0.00 C ATOM 713 C PRO A 50 3.303 -9.348 -2.361 1.00 0.00 C ATOM 714 O PRO A 50 3.664 -10.132 -3.239 1.00 0.00 O ATOM 715 CB PRO A 50 5.584 -9.105 -1.343 1.00 0.00 C ATOM 716 CG PRO A 50 6.100 -10.498 -1.223 1.00 0.00 C ATOM 717 CD PRO A 50 5.262 -11.160 -0.165 1.00 0.00 C ATOM 0 HA PRO A 50 3.663 -8.347 -0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.768 -8.699 -2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.072 -8.439 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.019 -11.027 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.154 -10.501 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.125 -12.222 -0.368 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.722 -11.080 0.820 1.00 0.00 H new ATOM 725 N LEU A 51 2.231 -8.573 -2.481 1.00 0.00 N ATOM 726 CA LEU A 51 1.398 -8.599 -3.678 1.00 0.00 C ATOM 727 C LEU A 51 1.903 -7.601 -4.715 1.00 0.00 C ATOM 728 O LEU A 51 1.196 -7.266 -5.665 1.00 0.00 O ATOM 729 CB LEU A 51 -0.056 -8.285 -3.319 1.00 0.00 C ATOM 730 CG LEU A 51 -0.643 -9.075 -2.149 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.726 -8.268 -1.450 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.197 -10.409 -2.630 1.00 0.00 C ATOM 0 H LEU A 51 1.918 -7.919 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 51 1.453 -9.600 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.131 -7.222 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.674 -8.464 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 51 0.155 -9.272 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.132 -8.846 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.300 -7.339 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.523 -8.039 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.611 -10.958 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.981 -10.233 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.397 -10.993 -3.085 1.00 0.00 H new ATOM 744 N ALA A 52 3.133 -7.132 -4.527 1.00 0.00 N ATOM 745 CA ALA A 52 3.735 -6.176 -5.449 1.00 0.00 C ATOM 746 C ALA A 52 3.575 -6.632 -6.895 1.00 0.00 C ATOM 747 O ALA A 52 4.340 -7.464 -7.382 1.00 0.00 O ATOM 748 CB ALA A 52 5.206 -5.977 -5.115 1.00 0.00 C ATOM 0 H ALA A 52 3.731 -7.398 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 52 3.216 -5.224 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.643 -5.261 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.300 -5.598 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.730 -6.929 -5.197 1.00 0.00 H new ATOM 754 N GLY A 53 2.574 -6.083 -7.577 1.00 0.00 N ATOM 755 CA GLY A 53 2.332 -6.447 -8.961 1.00 0.00 C ATOM 756 C GLY A 53 1.851 -7.877 -9.109 1.00 0.00 C ATOM 757 O GLY A 53 2.195 -8.557 -10.075 1.00 0.00 O ATOM 0 H GLY A 53 1.927 -5.393 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.590 -5.771 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.250 -6.314 -9.534 1.00 0.00 H new ATOM 761 N GLN A 54 1.055 -8.334 -8.148 1.00 0.00 N ATOM 762 CA GLN A 54 0.528 -9.693 -8.175 1.00 0.00 C ATOM 763 C GLN A 54 -0.996 -9.686 -8.234 1.00 0.00 C ATOM 764 O GLN A 54 -1.637 -8.724 -7.812 1.00 0.00 O ATOM 765 CB GLN A 54 0.998 -10.470 -6.943 1.00 0.00 C ATOM 766 CG GLN A 54 0.307 -11.813 -6.770 1.00 0.00 C ATOM 767 CD GLN A 54 1.138 -12.798 -5.972 1.00 0.00 C ATOM 768 OE1 GLN A 54 1.316 -12.517 -4.686 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 1.614 -13.801 -6.504 1.00 0.00 N flip ATOM 0 H GLN A 54 0.761 -7.783 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 54 0.906 -10.183 -9.072 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.074 -10.631 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.824 -9.864 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.650 -11.663 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.092 -12.236 -7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.452 -13.978 -7.495 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.170 -14.455 -5.953 1.00 0.00 H new ATOM 778 N GLN A 55 -1.568 -10.764 -8.761 1.00 0.00 N ATOM 779 CA GLN A 55 -3.017 -10.879 -8.877 1.00 0.00 C ATOM 780 C GLN A 55 -3.648 -11.186 -7.523 1.00 0.00 C ATOM 781 O GLN A 55 -3.518 -12.294 -7.002 1.00 0.00 O ATOM 782 CB GLN A 55 -3.384 -11.972 -9.883 1.00 0.00 C ATOM 783 CG GLN A 55 -3.481 -11.473 -11.315 1.00 0.00 C ATOM 784 CD GLN A 55 -4.031 -12.520 -12.262 1.00 0.00 C ATOM 785 OE1 GLN A 55 -5.190 -12.924 -12.154 1.00 0.00 O ATOM 786 NE2 GLN A 55 -3.202 -12.967 -13.198 1.00 0.00 N ATOM 0 H GLN A 55 -1.051 -11.569 -9.114 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.405 -9.924 -9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.638 -12.765 -9.833 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.338 -12.413 -9.595 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.119 -10.590 -11.345 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.493 -11.164 -11.656 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.250 -12.605 -13.251 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.517 -13.673 -13.864 1.00 0.00 H new ATOM 795 N PHE A 56 -4.332 -10.197 -6.957 1.00 0.00 N ATOM 796 CA PHE A 56 -4.982 -10.360 -5.662 1.00 0.00 C ATOM 797 C PHE A 56 -6.302 -9.596 -5.617 1.00 0.00 C ATOM 798 O PHE A 56 -6.674 -8.917 -6.575 1.00 0.00 O ATOM 799 CB PHE A 56 -4.061 -9.876 -4.540 1.00 0.00 C ATOM 800 CG PHE A 56 -3.826 -8.393 -4.555 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.721 -7.530 -3.944 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.709 -7.862 -5.180 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.507 -6.164 -3.957 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.489 -6.497 -5.196 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.389 -5.648 -4.583 1.00 0.00 C ATOM 0 H PHE A 56 -4.450 -9.274 -7.375 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.190 -11.420 -5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.493 -10.158 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.102 -10.389 -4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.596 -7.929 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.002 -8.522 -5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.213 -5.501 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.615 -6.096 -5.687 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.219 -4.582 -4.593 1.00 0.00 H new ATOM 815 N THR A 57 -7.008 -9.711 -4.496 1.00 0.00 N ATOM 816 CA THR A 57 -8.287 -9.034 -4.324 1.00 0.00 C ATOM 817 C THR A 57 -8.408 -8.432 -2.929 1.00 0.00 C ATOM 818 O THR A 57 -7.735 -8.868 -1.994 1.00 0.00 O ATOM 819 CB THR A 57 -9.467 -9.995 -4.560 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.707 -9.302 -4.379 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.399 -11.180 -3.609 1.00 0.00 C ATOM 0 H THR A 57 -6.715 -10.267 -3.693 1.00 0.00 H new ATOM 0 HA THR A 57 -8.324 -8.236 -5.065 1.00 0.00 H new ATOM 0 HB THR A 57 -9.405 -10.367 -5.583 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.452 -9.920 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.243 -11.845 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.467 -11.723 -3.770 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.438 -10.823 -2.580 1.00 0.00 H new ATOM 829 N SER A 58 -9.269 -7.429 -2.795 1.00 0.00 N ATOM 830 CA SER A 58 -9.476 -6.765 -1.513 1.00 0.00 C ATOM 831 C SER A 58 -10.767 -7.243 -0.856 1.00 0.00 C ATOM 832 O SER A 58 -11.776 -7.457 -1.528 1.00 0.00 O ATOM 833 CB SER A 58 -9.518 -5.247 -1.702 1.00 0.00 C ATOM 834 OG SER A 58 -8.382 -4.791 -2.417 1.00 0.00 O ATOM 0 H SER A 58 -9.835 -7.058 -3.558 1.00 0.00 H new ATOM 0 HA SER A 58 -8.641 -7.020 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.425 -4.969 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.560 -4.757 -0.729 1.00 0.00 H new ATOM 0 HG SER A 58 -7.862 -4.183 -1.851 1.00 0.00 H new ATOM 840 N ARG A 59 -10.727 -7.407 0.462 1.00 0.00 N ATOM 841 CA ARG A 59 -11.893 -7.861 1.212 1.00 0.00 C ATOM 842 C ARG A 59 -12.009 -7.117 2.539 1.00 0.00 C ATOM 843 O ARG A 59 -11.029 -6.976 3.271 1.00 0.00 O ATOM 844 CB ARG A 59 -11.808 -9.367 1.465 1.00 0.00 C ATOM 845 CG ARG A 59 -13.156 -10.017 1.731 1.00 0.00 C ATOM 846 CD ARG A 59 -13.946 -10.207 0.446 1.00 0.00 C ATOM 847 NE ARG A 59 -15.376 -10.363 0.700 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.191 -9.347 0.960 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.720 -8.108 0.999 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.480 -9.568 1.180 1.00 0.00 N ATOM 0 H ARG A 59 -9.900 -7.232 1.033 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.782 -7.649 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.347 -9.846 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.153 -9.547 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.007 -10.983 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.728 -9.400 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.785 -9.350 -0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.574 -11.085 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.770 -11.303 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.730 -7.933 0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.348 -7.330 1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.847 -10.519 1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.105 -8.787 1.380 1.00 0.00 H new ATOM 864 N ASP A 60 -13.212 -6.643 2.842 1.00 0.00 N ATOM 865 CA ASP A 60 -13.457 -5.914 4.081 1.00 0.00 C ATOM 866 C ASP A 60 -12.377 -4.863 4.316 1.00 0.00 C ATOM 867 O ASP A 60 -11.930 -4.661 5.444 1.00 0.00 O ATOM 868 CB ASP A 60 -13.512 -6.881 5.264 1.00 0.00 C ATOM 869 CG ASP A 60 -14.871 -7.537 5.414 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.575 -7.681 4.393 1.00 0.00 O ATOM 871 OD2 ASP A 60 -15.230 -7.905 6.552 1.00 0.00 O ATOM 0 H ASP A 60 -14.033 -6.750 2.247 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.418 -5.407 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.752 -7.652 5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.268 -6.343 6.180 1.00 0.00 H new ATOM 876 N GLU A 61 -11.961 -4.198 3.242 1.00 0.00 N ATOM 877 CA GLU A 61 -10.931 -3.170 3.332 1.00 0.00 C ATOM 878 C GLU A 61 -9.590 -3.777 3.732 1.00 0.00 C ATOM 879 O GLU A 61 -8.873 -3.229 4.569 1.00 0.00 O ATOM 880 CB GLU A 61 -11.339 -2.096 4.344 1.00 0.00 C ATOM 881 CG GLU A 61 -12.696 -1.475 4.059 1.00 0.00 C ATOM 882 CD GLU A 61 -12.795 -0.042 4.543 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.121 0.830 3.956 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.547 0.208 5.509 1.00 0.00 O ATOM 0 H GLU A 61 -12.321 -4.353 2.300 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.824 -2.712 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.352 -2.535 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.584 -1.310 4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.888 -1.506 2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.472 -2.071 4.539 1.00 0.00 H new ATOM 891 N ASP A 62 -9.258 -4.913 3.128 1.00 0.00 N ATOM 892 CA ASP A 62 -8.003 -5.596 3.419 1.00 0.00 C ATOM 893 C ASP A 62 -7.504 -6.360 2.197 1.00 0.00 C ATOM 894 O ASP A 62 -8.216 -7.176 1.611 1.00 0.00 O ATOM 895 CB ASP A 62 -8.180 -6.554 4.598 1.00 0.00 C ATOM 896 CG ASP A 62 -7.945 -5.877 5.934 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.782 -5.529 6.227 1.00 0.00 O ATOM 898 OD2 ASP A 62 -8.924 -5.695 6.687 1.00 0.00 O ATOM 0 H ASP A 62 -9.841 -5.380 2.434 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.261 -4.842 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.187 -6.970 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.488 -7.389 4.491 1.00 0.00 H new ATOM 903 N PRO A 63 -6.250 -6.091 1.801 1.00 0.00 N ATOM 904 CA PRO A 63 -5.628 -6.743 0.645 1.00 0.00 C ATOM 905 C PRO A 63 -5.336 -8.218 0.899 1.00 0.00 C ATOM 906 O PRO A 63 -4.460 -8.560 1.693 1.00 0.00 O ATOM 907 CB PRO A 63 -4.324 -5.964 0.458 1.00 0.00 C ATOM 908 CG PRO A 63 -4.016 -5.412 1.807 1.00 0.00 C ATOM 909 CD PRO A 63 -5.344 -5.131 2.453 1.00 0.00 C ATOM 0 HA PRO A 63 -6.278 -6.729 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.523 -6.612 0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.440 -5.169 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.438 -6.123 2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.420 -4.503 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.306 -5.283 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.662 -4.102 2.287 1.00 0.00 H new ATOM 917 N TYR A 64 -6.075 -9.088 0.218 1.00 0.00 N ATOM 918 CA TYR A 64 -5.896 -10.527 0.372 1.00 0.00 C ATOM 919 C TYR A 64 -5.456 -11.164 -0.943 1.00 0.00 C ATOM 920 O TYR A 64 -5.954 -10.814 -2.014 1.00 0.00 O ATOM 921 CB TYR A 64 -7.194 -11.174 0.856 1.00 0.00 C ATOM 922 CG TYR A 64 -7.444 -10.995 2.337 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.777 -11.775 3.274 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.346 -10.045 2.799 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.003 -11.616 4.627 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.577 -9.877 4.151 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.904 -10.665 5.061 1.00 0.00 C ATOM 928 OH TYR A 64 -8.130 -10.502 6.408 1.00 0.00 O ATOM 0 H TYR A 64 -6.803 -8.822 -0.445 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.116 -10.694 1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.031 -10.750 0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.167 -12.239 0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.069 -12.519 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.876 -9.427 2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.478 -12.232 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.281 -9.133 4.493 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.791 -9.792 6.545 1.00 0.00 H new ATOM 938 N CYS A 65 -4.520 -12.103 -0.854 1.00 0.00 N ATOM 939 CA CYS A 65 -4.012 -12.791 -2.034 1.00 0.00 C ATOM 940 C CYS A 65 -4.941 -13.931 -2.441 1.00 0.00 C ATOM 941 O CYS A 65 -5.618 -14.524 -1.602 1.00 0.00 O ATOM 942 CB CYS A 65 -2.606 -13.334 -1.768 1.00 0.00 C ATOM 943 SG CYS A 65 -2.581 -14.943 -0.913 1.00 0.00 S ATOM 0 H CYS A 65 -4.098 -12.405 0.024 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.968 -12.072 -2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.080 -13.431 -2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.055 -12.608 -1.170 1.00 0.00 H new ATOM 948 N VAL A 66 -4.967 -14.232 -3.736 1.00 0.00 N ATOM 949 CA VAL A 66 -5.812 -15.301 -4.255 1.00 0.00 C ATOM 950 C VAL A 66 -5.701 -16.555 -3.396 1.00 0.00 C ATOM 951 O VAL A 66 -6.678 -17.279 -3.208 1.00 0.00 O ATOM 952 CB VAL A 66 -5.441 -15.653 -5.708 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.340 -16.761 -6.235 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.527 -14.419 -6.594 1.00 0.00 C ATOM 0 H VAL A 66 -4.413 -13.751 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.838 -14.935 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.412 -16.013 -5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.063 -16.996 -7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.223 -17.650 -5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.379 -16.432 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.262 -14.686 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.544 -14.027 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.837 -13.659 -6.227 1.00 0.00 H new ATOM 964 N ALA A 67 -4.504 -16.806 -2.876 1.00 0.00 N ATOM 965 CA ALA A 67 -4.265 -17.971 -2.034 1.00 0.00 C ATOM 966 C ALA A 67 -5.115 -17.918 -0.769 1.00 0.00 C ATOM 967 O ALA A 67 -5.619 -18.940 -0.303 1.00 0.00 O ATOM 968 CB ALA A 67 -2.790 -18.071 -1.676 1.00 0.00 C ATOM 0 H ALA A 67 -3.684 -16.217 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.552 -18.859 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.627 -18.946 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.200 -18.164 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.485 -17.174 -1.137 1.00 0.00 H new ATOM 974 N CYS A 68 -5.271 -16.719 -0.216 1.00 0.00 N ATOM 975 CA CYS A 68 -6.059 -16.532 0.996 1.00 0.00 C ATOM 976 C CYS A 68 -7.538 -16.366 0.663 1.00 0.00 C ATOM 977 O CYS A 68 -8.396 -17.021 1.254 1.00 0.00 O ATOM 978 CB CYS A 68 -5.559 -15.310 1.770 1.00 0.00 C ATOM 979 SG CYS A 68 -4.054 -15.616 2.750 1.00 0.00 S ATOM 0 H CYS A 68 -4.862 -15.862 -0.589 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.942 -17.420 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.363 -14.502 1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.350 -14.967 2.436 1.00 0.00 H new ATOM 984 N PHE A 69 -7.830 -15.485 -0.289 1.00 0.00 N ATOM 985 CA PHE A 69 -9.205 -15.232 -0.701 1.00 0.00 C ATOM 986 C PHE A 69 -9.951 -16.542 -0.942 1.00 0.00 C ATOM 987 O PHE A 69 -11.087 -16.712 -0.501 1.00 0.00 O ATOM 988 CB PHE A 69 -9.231 -14.377 -1.970 1.00 0.00 C ATOM 989 CG PHE A 69 -10.615 -14.123 -2.494 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.412 -13.137 -1.935 1.00 0.00 C ATOM 991 CD2 PHE A 69 -11.120 -14.872 -3.545 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.686 -12.900 -2.416 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.394 -14.640 -4.029 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.178 -13.654 -3.463 1.00 0.00 C ATOM 0 H PHE A 69 -7.132 -14.935 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.705 -14.692 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.748 -13.422 -1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.643 -14.871 -2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.033 -12.547 -1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.512 -15.645 -3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.296 -12.126 -1.974 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.776 -15.230 -4.849 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.174 -13.473 -3.839 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.302 -17.464 -1.646 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.918 -18.746 -1.934 1.00 0.00 C ATOM 1006 C GLY A 70 -9.562 -19.804 -0.908 1.00 0.00 C ATOM 1007 O GLY A 70 -9.545 -20.995 -1.216 1.00 0.00 O ATOM 0 H GLY A 70 -8.361 -17.346 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.001 -18.626 -1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.604 -19.082 -2.922 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.278 -19.368 0.315 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.918 -20.287 1.389 1.00 0.00 C ATOM 1013 C GLU A 71 -9.655 -19.933 2.677 1.00 0.00 C ATOM 1014 O GLU A 71 -10.197 -20.806 3.356 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.408 -20.261 1.629 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.971 -21.052 2.850 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.871 -22.540 2.576 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -6.477 -22.911 1.451 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -7.187 -23.333 3.488 1.00 0.00 O ATOM 0 H GLU A 71 -9.290 -18.385 0.587 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.212 -21.292 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.902 -20.659 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.085 -19.226 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.003 -20.683 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.680 -20.882 3.661 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.671 -18.647 3.009 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.340 -18.175 4.216 1.00 0.00 C ATOM 1028 C LEU A 72 -11.848 -18.082 4.002 1.00 0.00 C ATOM 1029 O LEU A 72 -12.621 -18.804 4.632 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.788 -16.810 4.630 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.416 -16.818 5.306 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.340 -17.255 4.324 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.095 -15.445 5.876 1.00 0.00 C ATOM 0 H LEU A 72 -9.228 -17.912 2.458 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.147 -18.894 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.730 -16.180 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.502 -16.342 5.308 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.441 -17.534 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.371 -17.255 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.562 -18.259 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.315 -16.565 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.115 -15.469 6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.089 -14.709 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.851 -15.171 6.612 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.259 -17.191 3.106 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.674 -17.004 2.808 1.00 0.00 C ATOM 1047 C PHE A 73 -14.243 -18.223 2.088 1.00 0.00 C ATOM 1048 O PHE A 73 -15.334 -18.694 2.409 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.876 -15.752 1.951 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.021 -14.592 2.375 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.351 -13.844 3.494 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.888 -14.250 1.655 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.566 -12.776 3.885 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.099 -13.183 2.042 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.439 -12.445 3.159 1.00 0.00 C ATOM 0 H PHE A 73 -11.632 -16.587 2.574 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.205 -16.879 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.657 -15.994 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.924 -15.456 1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.231 -14.098 4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.618 -14.824 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.834 -12.200 4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.218 -12.927 1.472 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.825 -11.611 3.464 1.00 0.00 H new ATOM 1065 N ALA A 74 -13.496 -18.729 1.112 1.00 0.00 N ATOM 1066 CA ALA A 74 -13.925 -19.894 0.347 1.00 0.00 C ATOM 1067 C ALA A 74 -13.521 -21.188 1.046 1.00 0.00 C ATOM 1068 O ALA A 74 -12.334 -21.473 1.208 1.00 0.00 O ATOM 1069 CB ALA A 74 -13.343 -19.846 -1.058 1.00 0.00 C ATOM 0 H ALA A 74 -12.591 -18.351 0.832 1.00 0.00 H new ATOM 0 HA ALA A 74 -15.013 -19.873 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.671 -20.722 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -13.686 -18.943 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.255 -19.839 -1.001 1.00 0.00 H new ATOM 1075 N SER A 75 -14.515 -21.968 1.458 1.00 0.00 N ATOM 1076 CA SER A 75 -14.263 -23.230 2.143 1.00 0.00 C ATOM 1077 C SER A 75 -13.627 -24.244 1.197 1.00 0.00 C ATOM 1078 O SER A 75 -12.645 -24.901 1.543 1.00 0.00 O ATOM 1079 CB SER A 75 -15.566 -23.794 2.713 1.00 0.00 C ATOM 1080 OG SER A 75 -15.847 -23.243 3.987 1.00 0.00 O ATOM 0 H SER A 75 -15.503 -21.748 1.329 1.00 0.00 H new ATOM 0 HA SER A 75 -13.569 -23.039 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 75 -16.388 -23.578 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 75 -15.493 -24.879 2.791 1.00 0.00 H new ATOM 0 HG SER A 75 -16.685 -23.619 4.328 1.00 0.00 H new ATOM 1086 N GLY A 76 -14.194 -24.365 0.001 1.00 0.00 N ATOM 1087 CA GLY A 76 -13.670 -25.301 -0.977 1.00 0.00 C ATOM 1088 C GLY A 76 -14.765 -25.973 -1.781 1.00 0.00 C ATOM 1089 O GLY A 76 -15.945 -25.914 -1.434 1.00 0.00 O ATOM 0 H GLY A 76 -15.007 -23.832 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.997 -24.775 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.079 -26.062 -0.467 1.00 0.00 H new ATOM 1093 N PRO A 77 -14.376 -26.630 -2.884 1.00 0.00 N ATOM 1094 CA PRO A 77 -15.319 -27.329 -3.763 1.00 0.00 C ATOM 1095 C PRO A 77 -15.907 -28.575 -3.109 1.00 0.00 C ATOM 1096 O PRO A 77 -17.124 -28.761 -3.089 1.00 0.00 O ATOM 1097 CB PRO A 77 -14.460 -27.713 -4.970 1.00 0.00 C ATOM 1098 CG PRO A 77 -13.070 -27.784 -4.439 1.00 0.00 C ATOM 1099 CD PRO A 77 -12.986 -26.743 -3.357 1.00 0.00 C ATOM 0 HA PRO A 77 -16.179 -26.708 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -14.773 -28.669 -5.390 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -14.542 -26.973 -5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -12.854 -28.776 -4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -12.341 -27.589 -5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.313 -27.049 -2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -12.614 -25.793 -3.741 1.00 0.00 H new ATOM 1107 N SER A 78 -15.036 -29.425 -2.575 1.00 0.00 N ATOM 1108 CA SER A 78 -15.469 -30.655 -1.923 1.00 0.00 C ATOM 1109 C SER A 78 -15.309 -30.553 -0.410 1.00 0.00 C ATOM 1110 O SER A 78 -14.867 -31.498 0.244 1.00 0.00 O ATOM 1111 CB SER A 78 -14.670 -31.847 -2.453 1.00 0.00 C ATOM 1112 OG SER A 78 -13.286 -31.690 -2.192 1.00 0.00 O ATOM 0 H SER A 78 -14.026 -29.284 -2.581 1.00 0.00 H new ATOM 0 HA SER A 78 -16.525 -30.805 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.029 -32.765 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.832 -31.949 -3.526 1.00 0.00 H new ATOM 0 HG SER A 78 -12.798 -32.466 -2.539 1.00 0.00 H new ATOM 1118 N SER A 79 -15.671 -29.399 0.141 1.00 0.00 N ATOM 1119 CA SER A 79 -15.564 -29.171 1.578 1.00 0.00 C ATOM 1120 C SER A 79 -14.124 -29.346 2.050 1.00 0.00 C ATOM 1121 O SER A 79 -13.870 -29.933 3.101 1.00 0.00 O ATOM 1122 CB SER A 79 -16.482 -30.130 2.338 1.00 0.00 C ATOM 1123 OG SER A 79 -17.803 -30.083 1.828 1.00 0.00 O ATOM 0 H SER A 79 -16.041 -28.607 -0.385 1.00 0.00 H new ATOM 0 HA SER A 79 -15.873 -28.146 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.095 -31.146 2.261 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.488 -29.870 3.397 1.00 0.00 H new ATOM 0 HG SER A 79 -18.370 -30.706 2.329 1.00 0.00 H new ATOM 1129 N GLY A 80 -13.183 -28.831 1.264 1.00 0.00 N ATOM 1130 CA GLY A 80 -11.780 -28.941 1.617 1.00 0.00 C ATOM 1131 C GLY A 80 -11.237 -27.669 2.240 1.00 0.00 C ATOM 1132 O GLY A 80 -10.024 -27.471 2.235 1.00 0.00 O ATOM 0 H GLY A 80 -13.368 -28.340 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.648 -29.768 2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.202 -29.180 0.725 1.00 0.00 H new TER 1136 GLY A 80 HETATM 1137 ZN ZN A 201 4.864 1.517 4.951 1.00 0.00 ZN HETATM 1138 ZN ZN A 401 -2.383 -14.734 1.398 1.00 0.00 ZN