USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 45 HIS : no HD1:sc= -4.78! C(o=-12!,f=-23!) USER MOD Set 1.2: A 49 ASN : amide:sc= -6.96! C(o=-12!,f=-24!) USER MOD Set 2.1: A 18 ASN : amide:sc= -2.6 K(o=-2.3,f=-3.6!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0.274 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0364 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 41:sc= 1.13 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 38:sc= 0.994 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.48) USER MOD Single : A 16 MET CE :methyl 179:sc= -1.85 (180deg=-1.87) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 36:sc= -1.36 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.433 USER MOD Single : A 36 ASN : amide:sc=-0.00146 X(o=-0.0015,f=-0.14) USER MOD Single : A 38 SER OG : rot 180:sc= -0.87 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0688 F(o=-0.76,f=-0.069) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 137:sc= 0.0085 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0288 F(o=-0.83,f=-0.029) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.3!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 77 ASN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 162:sc= -7.24! (180deg=-8.43!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=-0.43) USER MOD Single : A 100 THR OG1 : rot -59:sc= 1.25 USER MOD Single : A 105 ASN : amide:sc= -0.169 K(o=-0.17,f=-0.88) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc=-0.00785 X(o=-0.0078,f=-0.11) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.853 -23.773 -16.187 1.00 0.00 N ATOM 2 CA GLY A 1 -15.735 -23.984 -14.754 1.00 0.00 C ATOM 3 C GLY A 1 -16.531 -25.214 -14.313 1.00 0.00 C ATOM 4 O GLY A 1 -16.700 -26.157 -15.085 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.921 -23.529 -16.580 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.203 -24.642 -16.638 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.520 -22.996 -16.370 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.686 -24.110 -14.487 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.095 -23.103 -14.222 1.00 0.00 H new ATOM 8 N SER A 2 -16.997 -25.165 -13.074 1.00 0.00 N ATOM 9 CA SER A 2 -17.771 -26.264 -12.522 1.00 0.00 C ATOM 10 C SER A 2 -19.223 -26.172 -12.996 1.00 0.00 C ATOM 11 O SER A 2 -19.734 -27.098 -13.624 1.00 0.00 O ATOM 12 CB SER A 2 -17.711 -26.265 -10.993 1.00 0.00 C ATOM 13 OG SER A 2 -17.771 -27.585 -10.458 1.00 0.00 O ATOM 0 H SER A 2 -16.854 -24.382 -12.437 1.00 0.00 H new ATOM 0 HA SER A 2 -17.339 -27.199 -12.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.790 -25.783 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.538 -25.675 -10.597 1.00 0.00 H new ATOM 0 HG SER A 2 -17.728 -27.544 -9.480 1.00 0.00 H new ATOM 19 N SER A 3 -19.846 -25.047 -12.677 1.00 0.00 N ATOM 20 CA SER A 3 -21.229 -24.823 -13.063 1.00 0.00 C ATOM 21 C SER A 3 -21.597 -23.352 -12.859 1.00 0.00 C ATOM 22 O SER A 3 -21.976 -22.949 -11.760 1.00 0.00 O ATOM 23 CB SER A 3 -22.176 -25.722 -12.266 1.00 0.00 C ATOM 24 OG SER A 3 -23.237 -26.226 -13.071 1.00 0.00 O ATOM 0 H SER A 3 -19.419 -24.281 -12.156 1.00 0.00 H new ATOM 0 HA SER A 3 -21.335 -25.075 -14.118 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.615 -26.555 -11.843 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.591 -25.160 -11.429 1.00 0.00 H new ATOM 0 HG SER A 3 -23.818 -26.797 -12.526 1.00 0.00 H new ATOM 30 N GLY A 4 -21.472 -22.589 -13.935 1.00 0.00 N ATOM 31 CA GLY A 4 -21.787 -21.171 -13.888 1.00 0.00 C ATOM 32 C GLY A 4 -21.168 -20.513 -12.653 1.00 0.00 C ATOM 33 O GLY A 4 -21.843 -20.322 -11.643 1.00 0.00 O ATOM 0 H GLY A 4 -21.157 -22.926 -14.845 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.416 -20.682 -14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.868 -21.035 -13.873 1.00 0.00 H new ATOM 37 N SER A 5 -19.890 -20.184 -12.775 1.00 0.00 N ATOM 38 CA SER A 5 -19.173 -19.551 -11.681 1.00 0.00 C ATOM 39 C SER A 5 -18.347 -18.376 -12.208 1.00 0.00 C ATOM 40 O SER A 5 -17.155 -18.520 -12.474 1.00 0.00 O ATOM 41 CB SER A 5 -18.269 -20.555 -10.962 1.00 0.00 C ATOM 42 OG SER A 5 -17.219 -21.026 -11.803 1.00 0.00 O ATOM 0 H SER A 5 -19.333 -20.344 -13.614 1.00 0.00 H new ATOM 0 HA SER A 5 -19.903 -19.180 -10.962 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.841 -20.087 -10.075 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.866 -21.400 -10.620 1.00 0.00 H new ATOM 0 HG SER A 5 -16.865 -20.281 -12.332 1.00 0.00 H new ATOM 48 N SER A 6 -19.014 -17.239 -12.343 1.00 0.00 N ATOM 49 CA SER A 6 -18.357 -16.040 -12.834 1.00 0.00 C ATOM 50 C SER A 6 -18.913 -14.808 -12.117 1.00 0.00 C ATOM 51 O SER A 6 -19.907 -14.900 -11.397 1.00 0.00 O ATOM 52 CB SER A 6 -18.530 -15.896 -14.347 1.00 0.00 C ATOM 53 OG SER A 6 -19.872 -15.576 -14.703 1.00 0.00 O ATOM 0 H SER A 6 -20.003 -17.123 -12.121 1.00 0.00 H new ATOM 0 HA SER A 6 -17.291 -16.125 -12.624 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.862 -15.118 -14.716 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.237 -16.825 -14.835 1.00 0.00 H new ATOM 0 HG SER A 6 -19.941 -15.491 -15.677 1.00 0.00 H new ATOM 59 N GLY A 7 -18.249 -13.683 -12.338 1.00 0.00 N ATOM 60 CA GLY A 7 -18.665 -12.435 -11.722 1.00 0.00 C ATOM 61 C GLY A 7 -18.680 -12.554 -10.197 1.00 0.00 C ATOM 62 O GLY A 7 -19.638 -13.065 -9.620 1.00 0.00 O ATOM 0 H GLY A 7 -17.425 -13.610 -12.935 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.988 -11.635 -12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.658 -12.163 -12.079 1.00 0.00 H new ATOM 66 N MET A 8 -17.606 -12.073 -9.587 1.00 0.00 N ATOM 67 CA MET A 8 -17.483 -12.120 -8.140 1.00 0.00 C ATOM 68 C MET A 8 -16.535 -11.030 -7.635 1.00 0.00 C ATOM 69 O MET A 8 -15.318 -11.205 -7.651 1.00 0.00 O ATOM 70 CB MET A 8 -16.956 -13.492 -7.716 1.00 0.00 C ATOM 71 CG MET A 8 -17.319 -13.793 -6.260 1.00 0.00 C ATOM 72 SD MET A 8 -16.292 -12.829 -5.164 1.00 0.00 S ATOM 73 CE MET A 8 -17.105 -13.158 -3.609 1.00 0.00 C ATOM 0 H MET A 8 -16.813 -11.649 -10.069 1.00 0.00 H new ATOM 0 HA MET A 8 -18.468 -11.949 -7.705 1.00 0.00 H new ATOM 0 HB2 MET A 8 -17.373 -14.262 -8.365 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.873 -13.523 -7.839 1.00 0.00 H new ATOM 0 HG2 MET A 8 -18.370 -13.563 -6.083 1.00 0.00 H new ATOM 0 HG3 MET A 8 -17.186 -14.855 -6.056 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.588 -12.628 -2.809 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.139 -12.818 -3.660 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.085 -14.229 -3.407 1.00 0.00 H new ATOM 83 N SER A 9 -17.129 -9.929 -7.199 1.00 0.00 N ATOM 84 CA SER A 9 -16.353 -8.811 -6.690 1.00 0.00 C ATOM 85 C SER A 9 -17.106 -8.129 -5.547 1.00 0.00 C ATOM 86 O SER A 9 -17.932 -7.248 -5.781 1.00 0.00 O ATOM 87 CB SER A 9 -16.047 -7.803 -7.800 1.00 0.00 C ATOM 88 OG SER A 9 -17.232 -7.219 -8.333 1.00 0.00 O ATOM 0 H SER A 9 -18.139 -9.787 -7.188 1.00 0.00 H new ATOM 0 HA SER A 9 -15.405 -9.195 -6.314 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.401 -7.018 -7.408 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.497 -8.300 -8.599 1.00 0.00 H new ATOM 0 HG SER A 9 -17.877 -7.070 -7.610 1.00 0.00 H new ATOM 94 N SER A 10 -16.794 -8.562 -4.334 1.00 0.00 N ATOM 95 CA SER A 10 -17.431 -8.004 -3.153 1.00 0.00 C ATOM 96 C SER A 10 -16.570 -8.273 -1.917 1.00 0.00 C ATOM 97 O SER A 10 -16.029 -7.345 -1.319 1.00 0.00 O ATOM 98 CB SER A 10 -18.834 -8.582 -2.959 1.00 0.00 C ATOM 99 OG SER A 10 -19.762 -7.595 -2.516 1.00 0.00 O ATOM 0 H SER A 10 -16.108 -9.293 -4.144 1.00 0.00 H new ATOM 0 HA SER A 10 -17.527 -6.927 -3.293 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.182 -9.011 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.794 -9.394 -2.233 1.00 0.00 H new ATOM 0 HG SER A 10 -20.646 -8.003 -2.406 1.00 0.00 H new ATOM 105 N HIS A 11 -16.470 -9.548 -1.572 1.00 0.00 N ATOM 106 CA HIS A 11 -15.684 -9.952 -0.418 1.00 0.00 C ATOM 107 C HIS A 11 -14.333 -10.497 -0.884 1.00 0.00 C ATOM 108 O HIS A 11 -14.259 -11.591 -1.442 1.00 0.00 O ATOM 109 CB HIS A 11 -16.460 -10.948 0.446 1.00 0.00 C ATOM 110 CG HIS A 11 -16.780 -10.439 1.832 1.00 0.00 C ATOM 111 ND1 HIS A 11 -15.903 -9.657 2.564 1.00 0.00 N ATOM 112 CD2 HIS A 11 -17.887 -10.608 2.610 1.00 0.00 C ATOM 113 CE1 HIS A 11 -16.468 -9.375 3.729 1.00 0.00 C ATOM 114 NE2 HIS A 11 -17.697 -9.966 3.755 1.00 0.00 N ATOM 0 H HIS A 11 -16.920 -10.315 -2.071 1.00 0.00 H new ATOM 0 HA HIS A 11 -15.489 -9.087 0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -17.391 -11.204 -0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.881 -11.867 0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -18.769 -11.169 2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.032 -8.782 4.519 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -18.361 -9.922 4.528 1.00 0.00 H new ATOM 122 N VAL A 12 -13.296 -9.710 -0.637 1.00 0.00 N ATOM 123 CA VAL A 12 -11.951 -10.100 -1.023 1.00 0.00 C ATOM 124 C VAL A 12 -11.711 -11.556 -0.618 1.00 0.00 C ATOM 125 O VAL A 12 -12.133 -11.983 0.455 1.00 0.00 O ATOM 126 CB VAL A 12 -10.931 -9.135 -0.416 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.506 -9.516 -0.822 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.244 -7.689 -0.807 1.00 0.00 C ATOM 0 H VAL A 12 -13.361 -8.803 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.832 -10.039 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.002 -9.212 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.801 -8.814 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.285 -10.524 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.416 -9.482 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.504 -7.024 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.215 -7.591 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.237 -7.421 -0.445 1.00 0.00 H new ATOM 138 N PRO A 13 -11.015 -12.297 -1.522 1.00 0.00 N ATOM 139 CA PRO A 13 -10.714 -13.696 -1.269 1.00 0.00 C ATOM 140 C PRO A 13 -9.592 -13.837 -0.238 1.00 0.00 C ATOM 141 O PRO A 13 -9.186 -12.855 0.381 1.00 0.00 O ATOM 142 CB PRO A 13 -10.348 -14.271 -2.628 1.00 0.00 C ATOM 143 CG PRO A 13 -10.007 -13.079 -3.507 1.00 0.00 C ATOM 144 CD PRO A 13 -10.499 -11.825 -2.803 1.00 0.00 C ATOM 0 HA PRO A 13 -11.556 -14.237 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.501 -14.952 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.177 -14.841 -3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.932 -13.025 -3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.479 -13.178 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.691 -11.106 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.275 -11.324 -3.382 1.00 0.00 H new ATOM 152 N ALA A 14 -9.124 -15.067 -0.086 1.00 0.00 N ATOM 153 CA ALA A 14 -8.057 -15.350 0.860 1.00 0.00 C ATOM 154 C ALA A 14 -6.751 -15.575 0.096 1.00 0.00 C ATOM 155 O ALA A 14 -5.735 -15.934 0.689 1.00 0.00 O ATOM 156 CB ALA A 14 -8.444 -16.554 1.721 1.00 0.00 C ATOM 0 H ALA A 14 -9.464 -15.879 -0.602 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.905 -14.505 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.644 -16.766 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.362 -16.332 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.602 -17.423 1.082 1.00 0.00 H new ATOM 162 N ASP A 15 -6.820 -15.355 -1.209 1.00 0.00 N ATOM 163 CA ASP A 15 -5.656 -15.529 -2.060 1.00 0.00 C ATOM 164 C ASP A 15 -5.162 -14.159 -2.529 1.00 0.00 C ATOM 165 O ASP A 15 -3.999 -14.008 -2.900 1.00 0.00 O ATOM 166 CB ASP A 15 -5.998 -16.358 -3.300 1.00 0.00 C ATOM 167 CG ASP A 15 -4.802 -17.016 -3.989 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.391 -18.094 -3.506 1.00 0.00 O ATOM 169 OD2 ASP A 15 -4.324 -16.427 -4.983 1.00 0.00 O ATOM 0 H ASP A 15 -7.665 -15.058 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.890 -16.045 -1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.706 -17.136 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.504 -15.715 -4.020 1.00 0.00 H new ATOM 174 N MET A 16 -6.071 -13.195 -2.496 1.00 0.00 N ATOM 175 CA MET A 16 -5.742 -11.843 -2.912 1.00 0.00 C ATOM 176 C MET A 16 -5.674 -10.900 -1.709 1.00 0.00 C ATOM 177 O MET A 16 -6.175 -11.223 -0.633 1.00 0.00 O ATOM 178 CB MET A 16 -6.801 -11.340 -3.896 1.00 0.00 C ATOM 179 CG MET A 16 -6.791 -12.169 -5.183 1.00 0.00 C ATOM 180 SD MET A 16 -7.251 -11.146 -6.571 1.00 0.00 S ATOM 181 CE MET A 16 -5.735 -10.232 -6.799 1.00 0.00 C ATOM 0 H MET A 16 -7.035 -13.324 -2.188 1.00 0.00 H new ATOM 0 HA MET A 16 -4.764 -11.859 -3.393 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.787 -11.392 -3.433 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.615 -10.292 -4.132 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.800 -12.592 -5.345 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.484 -13.006 -5.092 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.843 -9.553 -7.645 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.517 -9.658 -5.898 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.917 -10.926 -6.993 1.00 0.00 H new ATOM 191 N ILE A 17 -5.051 -9.752 -1.932 1.00 0.00 N ATOM 192 CA ILE A 17 -4.911 -8.760 -0.880 1.00 0.00 C ATOM 193 C ILE A 17 -5.542 -7.443 -1.339 1.00 0.00 C ATOM 194 O ILE A 17 -5.159 -6.895 -2.371 1.00 0.00 O ATOM 195 CB ILE A 17 -3.446 -8.626 -0.460 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.869 -9.981 -0.045 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.284 -7.573 0.638 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.555 -10.265 -0.775 1.00 0.00 C ATOM 0 H ILE A 17 -4.638 -9.487 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.447 -9.076 0.015 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.874 -8.282 -1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.701 -9.994 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.589 -10.769 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.233 -7.498 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.631 -6.608 0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.872 -7.862 1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.167 -11.234 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.731 -10.275 -1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.829 -9.488 -0.534 1.00 0.00 H new ATOM 210 N ASN A 18 -6.497 -6.975 -0.550 1.00 0.00 N ATOM 211 CA ASN A 18 -7.184 -5.733 -0.862 1.00 0.00 C ATOM 212 C ASN A 18 -6.319 -4.551 -0.419 1.00 0.00 C ATOM 213 O ASN A 18 -5.925 -4.467 0.743 1.00 0.00 O ATOM 214 CB ASN A 18 -8.521 -5.643 -0.124 1.00 0.00 C ATOM 215 CG ASN A 18 -9.519 -4.780 -0.901 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.485 -4.690 -2.117 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.405 -4.154 -0.132 1.00 0.00 N ATOM 0 H ASN A 18 -6.812 -7.433 0.305 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.363 -5.708 -1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.931 -6.643 0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.365 -5.221 0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.113 -3.554 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.376 -4.274 0.881 1.00 0.00 H new ATOM 224 N LEU A 19 -6.049 -3.668 -1.369 1.00 0.00 N ATOM 225 CA LEU A 19 -5.238 -2.494 -1.092 1.00 0.00 C ATOM 226 C LEU A 19 -6.080 -1.235 -1.309 1.00 0.00 C ATOM 227 O LEU A 19 -6.741 -1.096 -2.337 1.00 0.00 O ATOM 228 CB LEU A 19 -3.952 -2.525 -1.919 1.00 0.00 C ATOM 229 CG LEU A 19 -2.802 -3.353 -1.341 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.025 -2.556 -0.292 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.311 -4.685 -0.787 1.00 0.00 C ATOM 0 H LEU A 19 -6.377 -3.742 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.919 -2.488 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.190 -2.912 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.605 -1.501 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.108 -3.584 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.214 -3.168 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.612 -1.657 -0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.695 -2.274 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.474 -5.254 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.038 -4.497 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.784 -5.255 -1.587 1.00 0.00 H new ATOM 243 N ARG A 20 -6.028 -0.350 -0.325 1.00 0.00 N ATOM 244 CA ARG A 20 -6.777 0.893 -0.396 1.00 0.00 C ATOM 245 C ARG A 20 -5.874 2.030 -0.881 1.00 0.00 C ATOM 246 O ARG A 20 -4.957 2.444 -0.173 1.00 0.00 O ATOM 247 CB ARG A 20 -7.361 1.262 0.969 1.00 0.00 C ATOM 248 CG ARG A 20 -8.891 1.223 0.939 1.00 0.00 C ATOM 249 CD ARG A 20 -9.460 0.989 2.340 1.00 0.00 C ATOM 250 NE ARG A 20 -10.634 0.090 2.266 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.288 -0.380 3.336 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.889 -0.040 4.569 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.343 -1.191 3.173 1.00 0.00 N ATOM 0 H ARG A 20 -5.479 -0.469 0.526 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.595 0.748 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.991 0.571 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.024 2.258 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.275 2.161 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.225 0.430 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.696 0.551 2.983 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.748 1.940 2.788 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.965 -0.189 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.087 0.577 4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.388 -0.398 5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.647 -1.450 2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.841 -1.549 3.988 1.00 0.00 H new ATOM 267 N LEU A 21 -6.166 2.501 -2.084 1.00 0.00 N ATOM 268 CA LEU A 21 -5.392 3.582 -2.672 1.00 0.00 C ATOM 269 C LEU A 21 -5.997 4.923 -2.252 1.00 0.00 C ATOM 270 O LEU A 21 -7.214 5.098 -2.289 1.00 0.00 O ATOM 271 CB LEU A 21 -5.287 3.402 -4.187 1.00 0.00 C ATOM 272 CG LEU A 21 -4.462 2.205 -4.665 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.985 2.578 -4.805 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.664 0.999 -3.747 1.00 0.00 C ATOM 0 H LEU A 21 -6.927 2.155 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.367 3.564 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.294 3.309 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.855 4.308 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.817 1.919 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.421 1.710 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.881 3.386 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.599 2.905 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.067 0.162 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.352 1.256 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.717 0.718 -3.742 1.00 0.00 H new ATOM 286 N ILE A 22 -5.119 5.836 -1.862 1.00 0.00 N ATOM 287 CA ILE A 22 -5.551 7.156 -1.435 1.00 0.00 C ATOM 288 C ILE A 22 -4.643 8.213 -2.066 1.00 0.00 C ATOM 289 O ILE A 22 -3.434 8.215 -1.837 1.00 0.00 O ATOM 290 CB ILE A 22 -5.616 7.232 0.091 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.649 6.249 0.646 1.00 0.00 C ATOM 292 CG2 ILE A 22 -5.878 8.664 0.559 1.00 0.00 C ATOM 293 CD1 ILE A 22 -6.051 5.399 1.768 1.00 0.00 C ATOM 0 H ILE A 22 -4.110 5.687 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.564 7.356 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.645 6.937 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.513 6.798 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.006 5.601 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.919 8.689 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.074 9.313 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.827 9.012 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.807 4.709 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.203 4.833 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.717 6.048 2.578 1.00 0.00 H new ATOM 305 N LEU A 23 -5.260 9.087 -2.847 1.00 0.00 N ATOM 306 CA LEU A 23 -4.522 10.148 -3.512 1.00 0.00 C ATOM 307 C LEU A 23 -4.861 11.488 -2.857 1.00 0.00 C ATOM 308 O LEU A 23 -4.261 11.860 -1.850 1.00 0.00 O ATOM 309 CB LEU A 23 -4.782 10.118 -5.020 1.00 0.00 C ATOM 310 CG LEU A 23 -3.739 9.385 -5.866 1.00 0.00 C ATOM 311 CD1 LEU A 23 -2.377 10.075 -5.776 1.00 0.00 C ATOM 312 CD2 LEU A 23 -3.659 7.907 -5.478 1.00 0.00 C ATOM 0 H LEU A 23 -6.263 9.083 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.449 9.997 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.753 9.653 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.853 11.145 -5.377 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.054 9.428 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.654 9.534 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.463 11.099 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.042 10.084 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.910 7.409 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.380 7.821 -4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.630 7.437 -5.635 1.00 0.00 H new ATOM 324 N VAL A 24 -5.822 12.177 -3.455 1.00 0.00 N ATOM 325 CA VAL A 24 -6.249 13.467 -2.941 1.00 0.00 C ATOM 326 C VAL A 24 -7.724 13.392 -2.545 1.00 0.00 C ATOM 327 O VAL A 24 -8.389 12.389 -2.802 1.00 0.00 O ATOM 328 CB VAL A 24 -5.962 14.561 -3.972 1.00 0.00 C ATOM 329 CG1 VAL A 24 -4.457 14.798 -4.116 1.00 0.00 C ATOM 330 CG2 VAL A 24 -6.595 14.221 -5.323 1.00 0.00 C ATOM 0 H VAL A 24 -6.317 11.866 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.685 13.726 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.414 15.486 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.281 15.580 -4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.044 15.106 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.973 13.877 -4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.376 15.015 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.186 13.280 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.675 14.126 -5.206 1.00 0.00 H new ATOM 340 N SER A 25 -8.194 14.465 -1.925 1.00 0.00 N ATOM 341 CA SER A 25 -9.578 14.533 -1.491 1.00 0.00 C ATOM 342 C SER A 25 -9.783 13.652 -0.257 1.00 0.00 C ATOM 343 O SER A 25 -10.113 14.151 0.818 1.00 0.00 O ATOM 344 CB SER A 25 -10.529 14.105 -2.612 1.00 0.00 C ATOM 345 OG SER A 25 -11.843 14.623 -2.423 1.00 0.00 O ATOM 0 H SER A 25 -7.640 15.295 -1.713 1.00 0.00 H new ATOM 0 HA SER A 25 -9.805 15.568 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.138 14.448 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.571 13.017 -2.656 1.00 0.00 H new ATOM 0 HG SER A 25 -12.419 14.329 -3.159 1.00 0.00 H new ATOM 351 N GLY A 26 -9.580 12.358 -0.452 1.00 0.00 N ATOM 352 CA GLY A 26 -9.738 11.403 0.632 1.00 0.00 C ATOM 353 C GLY A 26 -10.301 10.077 0.116 1.00 0.00 C ATOM 354 O GLY A 26 -9.862 9.007 0.537 1.00 0.00 O ATOM 0 H GLY A 26 -9.307 11.948 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.775 11.231 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.404 11.815 1.390 1.00 0.00 H new ATOM 358 N LYS A 27 -11.264 10.190 -0.786 1.00 0.00 N ATOM 359 CA LYS A 27 -11.891 9.013 -1.363 1.00 0.00 C ATOM 360 C LYS A 27 -10.810 8.001 -1.747 1.00 0.00 C ATOM 361 O LYS A 27 -9.918 8.309 -2.536 1.00 0.00 O ATOM 362 CB LYS A 27 -12.804 9.408 -2.526 1.00 0.00 C ATOM 363 CG LYS A 27 -14.274 9.372 -2.105 1.00 0.00 C ATOM 364 CD LYS A 27 -14.738 7.935 -1.853 1.00 0.00 C ATOM 365 CE LYS A 27 -16.264 7.839 -1.880 1.00 0.00 C ATOM 366 NZ LYS A 27 -16.730 7.363 -3.202 1.00 0.00 N ATOM 0 H LYS A 27 -11.626 11.079 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.537 8.528 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.546 10.409 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.645 8.730 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.412 9.966 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.890 9.826 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.315 7.275 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.366 7.593 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.605 7.158 -1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.700 8.815 -1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.768 7.303 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.420 8.028 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.329 6.423 -3.393 1.00 0.00 H new ATOM 380 N THR A 28 -10.925 6.813 -1.171 1.00 0.00 N ATOM 381 CA THR A 28 -9.968 5.754 -1.443 1.00 0.00 C ATOM 382 C THR A 28 -10.540 4.768 -2.463 1.00 0.00 C ATOM 383 O THR A 28 -11.746 4.748 -2.705 1.00 0.00 O ATOM 384 CB THR A 28 -9.595 5.101 -0.110 1.00 0.00 C ATOM 385 OG1 THR A 28 -8.607 4.135 -0.461 1.00 0.00 O ATOM 386 CG2 THR A 28 -10.738 4.269 0.475 1.00 0.00 C ATOM 0 H THR A 28 -11.666 6.561 -0.517 1.00 0.00 H new ATOM 0 HA THR A 28 -9.058 6.149 -1.894 1.00 0.00 H new ATOM 0 HB THR A 28 -9.306 5.873 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.055 4.483 -1.192 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.421 3.828 1.420 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.604 4.909 0.646 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.005 3.476 -0.224 1.00 0.00 H new ATOM 394 N LYS A 29 -9.647 3.973 -3.035 1.00 0.00 N ATOM 395 CA LYS A 29 -10.047 2.987 -4.024 1.00 0.00 C ATOM 396 C LYS A 29 -9.420 1.636 -3.675 1.00 0.00 C ATOM 397 O LYS A 29 -8.198 1.491 -3.697 1.00 0.00 O ATOM 398 CB LYS A 29 -9.710 3.475 -5.434 1.00 0.00 C ATOM 399 CG LYS A 29 -10.971 3.926 -6.175 1.00 0.00 C ATOM 400 CD LYS A 29 -11.673 2.737 -6.835 1.00 0.00 C ATOM 401 CE LYS A 29 -13.131 3.072 -7.157 1.00 0.00 C ATOM 402 NZ LYS A 29 -14.028 1.998 -6.675 1.00 0.00 N ATOM 0 H LYS A 29 -8.648 3.992 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.128 2.850 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.002 4.302 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.222 2.676 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.652 4.414 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.708 4.664 -6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.148 2.462 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.632 1.872 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.404 4.019 -6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.252 3.200 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.014 2.241 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.777 1.102 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.925 1.895 -5.645 1.00 0.00 H new ATOM 416 N GLU A 30 -10.283 0.682 -3.360 1.00 0.00 N ATOM 417 CA GLU A 30 -9.829 -0.652 -3.006 1.00 0.00 C ATOM 418 C GLU A 30 -9.513 -1.457 -4.268 1.00 0.00 C ATOM 419 O GLU A 30 -10.318 -1.502 -5.197 1.00 0.00 O ATOM 420 CB GLU A 30 -10.865 -1.372 -2.140 1.00 0.00 C ATOM 421 CG GLU A 30 -12.268 -1.228 -2.731 1.00 0.00 C ATOM 422 CD GLU A 30 -13.054 -2.535 -2.603 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.012 -3.116 -1.497 1.00 0.00 O ATOM 424 OE2 GLU A 30 -13.678 -2.923 -3.614 1.00 0.00 O ATOM 0 H GLU A 30 -11.295 0.806 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.915 -0.560 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.607 -2.428 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.848 -0.962 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.802 -0.427 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.197 -0.944 -3.781 1.00 0.00 H new ATOM 431 N PHE A 31 -8.340 -2.073 -4.260 1.00 0.00 N ATOM 432 CA PHE A 31 -7.908 -2.874 -5.393 1.00 0.00 C ATOM 433 C PHE A 31 -7.597 -4.309 -4.962 1.00 0.00 C ATOM 434 O PHE A 31 -7.775 -4.664 -3.798 1.00 0.00 O ATOM 435 CB PHE A 31 -6.631 -2.229 -5.936 1.00 0.00 C ATOM 436 CG PHE A 31 -6.881 -1.124 -6.963 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.344 -1.439 -8.202 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.639 0.174 -6.638 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.576 -0.414 -9.156 1.00 0.00 C ATOM 440 CE2 PHE A 31 -6.870 1.200 -7.592 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.334 0.885 -8.831 1.00 0.00 C ATOM 0 H PHE A 31 -7.675 -2.034 -3.487 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.696 -2.911 -6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.063 -1.815 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.012 -3.001 -6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.535 -2.470 -8.460 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.271 0.425 -5.654 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.945 -0.665 -10.140 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.677 2.231 -7.334 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.510 1.665 -9.556 1.00 0.00 H new ATOM 451 N LEU A 32 -7.138 -5.095 -5.925 1.00 0.00 N ATOM 452 CA LEU A 32 -6.801 -6.484 -5.661 1.00 0.00 C ATOM 453 C LEU A 32 -5.393 -6.771 -6.184 1.00 0.00 C ATOM 454 O LEU A 32 -5.057 -6.402 -7.308 1.00 0.00 O ATOM 455 CB LEU A 32 -7.872 -7.414 -6.235 1.00 0.00 C ATOM 456 CG LEU A 32 -9.150 -7.558 -5.406 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.379 -7.677 -6.310 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.041 -8.731 -4.430 1.00 0.00 C ATOM 0 H LEU A 32 -6.992 -4.796 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.788 -6.675 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.145 -7.053 -7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.434 -8.403 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.275 -6.654 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.274 -7.778 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.463 -6.784 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.277 -8.554 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.962 -8.811 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.880 -9.654 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.203 -8.565 -3.753 1.00 0.00 H new ATOM 470 N PHE A 33 -4.606 -7.426 -5.343 1.00 0.00 N ATOM 471 CA PHE A 33 -3.241 -7.767 -5.706 1.00 0.00 C ATOM 472 C PHE A 33 -2.857 -9.146 -5.165 1.00 0.00 C ATOM 473 O PHE A 33 -3.555 -9.700 -4.317 1.00 0.00 O ATOM 474 CB PHE A 33 -2.332 -6.712 -5.071 1.00 0.00 C ATOM 475 CG PHE A 33 -2.554 -5.296 -5.607 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.416 -5.042 -6.936 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.888 -4.291 -4.753 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.621 -3.728 -7.433 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.094 -2.977 -5.250 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.956 -2.723 -6.580 1.00 0.00 C ATOM 0 H PHE A 33 -4.888 -7.730 -4.411 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.140 -7.791 -6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.492 -6.711 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.293 -6.994 -5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.150 -5.840 -7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.996 -4.493 -3.698 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.511 -3.526 -8.488 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.360 -2.179 -4.573 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.112 -1.723 -6.958 1.00 0.00 H new ATOM 490 N SER A 34 -1.749 -9.660 -5.678 1.00 0.00 N ATOM 491 CA SER A 34 -1.264 -10.963 -5.258 1.00 0.00 C ATOM 492 C SER A 34 -0.010 -10.802 -4.396 1.00 0.00 C ATOM 493 O SER A 34 0.623 -9.748 -4.407 1.00 0.00 O ATOM 494 CB SER A 34 -0.969 -11.857 -6.464 1.00 0.00 C ATOM 495 OG SER A 34 0.279 -12.533 -6.335 1.00 0.00 O ATOM 0 H SER A 34 -1.173 -9.197 -6.381 1.00 0.00 H new ATOM 0 HA SER A 34 -2.044 -11.443 -4.667 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.768 -12.590 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.962 -11.252 -7.371 1.00 0.00 H new ATOM 0 HG SER A 34 0.430 -13.095 -7.124 1.00 0.00 H new ATOM 501 N PRO A 35 0.319 -11.891 -3.652 1.00 0.00 N ATOM 502 CA PRO A 35 1.487 -11.881 -2.786 1.00 0.00 C ATOM 503 C PRO A 35 2.775 -12.006 -3.602 1.00 0.00 C ATOM 504 O PRO A 35 3.872 -11.909 -3.055 1.00 0.00 O ATOM 505 CB PRO A 35 1.276 -13.041 -1.827 1.00 0.00 C ATOM 506 CG PRO A 35 0.237 -13.939 -2.481 1.00 0.00 C ATOM 507 CD PRO A 35 -0.408 -13.157 -3.613 1.00 0.00 C ATOM 0 HA PRO A 35 1.597 -10.945 -2.239 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.207 -13.581 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.930 -12.687 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.703 -14.848 -2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.514 -14.247 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.325 -13.690 -4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.470 -12.998 -3.429 1.00 0.00 H new ATOM 515 N ASN A 36 2.599 -12.219 -4.898 1.00 0.00 N ATOM 516 CA ASN A 36 3.734 -12.359 -5.794 1.00 0.00 C ATOM 517 C ASN A 36 3.945 -11.046 -6.551 1.00 0.00 C ATOM 518 O ASN A 36 5.026 -10.798 -7.082 1.00 0.00 O ATOM 519 CB ASN A 36 3.490 -13.463 -6.824 1.00 0.00 C ATOM 520 CG ASN A 36 3.164 -14.791 -6.138 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.769 -15.174 -5.149 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.177 -15.471 -6.714 1.00 0.00 N ATOM 0 H ASN A 36 1.687 -12.298 -5.349 1.00 0.00 H new ATOM 0 HA ASN A 36 4.608 -12.612 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.668 -13.177 -7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.373 -13.581 -7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.885 -16.370 -6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.712 -15.094 -7.540 1.00 0.00 H new ATOM 529 N ASP A 37 2.894 -10.239 -6.575 1.00 0.00 N ATOM 530 CA ASP A 37 2.951 -8.957 -7.258 1.00 0.00 C ATOM 531 C ASP A 37 3.810 -7.988 -6.443 1.00 0.00 C ATOM 532 O ASP A 37 3.642 -7.873 -5.230 1.00 0.00 O ATOM 533 CB ASP A 37 1.556 -8.346 -7.400 1.00 0.00 C ATOM 534 CG ASP A 37 0.616 -9.096 -8.347 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.142 -9.707 -9.303 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.607 -9.040 -8.094 1.00 0.00 O ATOM 0 H ASP A 37 1.999 -10.448 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 37 3.375 -9.121 -8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.094 -8.300 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.659 -7.320 -7.752 1.00 0.00 H new ATOM 541 N SER A 38 4.713 -7.315 -7.142 1.00 0.00 N ATOM 542 CA SER A 38 5.598 -6.360 -6.499 1.00 0.00 C ATOM 543 C SER A 38 4.988 -4.958 -6.560 1.00 0.00 C ATOM 544 O SER A 38 4.069 -4.710 -7.338 1.00 0.00 O ATOM 545 CB SER A 38 6.982 -6.366 -7.151 1.00 0.00 C ATOM 546 OG SER A 38 6.944 -5.876 -8.489 1.00 0.00 O ATOM 0 H SER A 38 4.850 -7.413 -8.148 1.00 0.00 H new ATOM 0 HA SER A 38 5.717 -6.652 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.664 -5.754 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.380 -7.381 -7.148 1.00 0.00 H new ATOM 0 HG SER A 38 7.847 -5.894 -8.870 1.00 0.00 H new ATOM 552 N ALA A 39 5.525 -4.077 -5.728 1.00 0.00 N ATOM 553 CA ALA A 39 5.045 -2.707 -5.677 1.00 0.00 C ATOM 554 C ALA A 39 4.906 -2.167 -7.102 1.00 0.00 C ATOM 555 O ALA A 39 4.090 -1.283 -7.357 1.00 0.00 O ATOM 556 CB ALA A 39 5.995 -1.864 -4.824 1.00 0.00 C ATOM 0 H ALA A 39 6.288 -4.286 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 39 4.061 -2.662 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.635 -0.836 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.036 -2.272 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.992 -1.883 -5.264 1.00 0.00 H new ATOM 562 N SER A 40 5.716 -2.721 -7.992 1.00 0.00 N ATOM 563 CA SER A 40 5.694 -2.306 -9.384 1.00 0.00 C ATOM 564 C SER A 40 4.312 -2.570 -9.987 1.00 0.00 C ATOM 565 O SER A 40 3.626 -1.640 -10.407 1.00 0.00 O ATOM 566 CB SER A 40 6.772 -3.030 -10.192 1.00 0.00 C ATOM 567 OG SER A 40 8.017 -2.337 -10.163 1.00 0.00 O ATOM 0 H SER A 40 6.392 -3.454 -7.776 1.00 0.00 H new ATOM 0 HA SER A 40 5.904 -1.237 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.908 -4.036 -9.795 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.440 -3.137 -11.225 1.00 0.00 H new ATOM 0 HG SER A 40 8.679 -2.832 -10.689 1.00 0.00 H new ATOM 573 N ASP A 41 3.945 -3.843 -10.010 1.00 0.00 N ATOM 574 CA ASP A 41 2.658 -4.241 -10.555 1.00 0.00 C ATOM 575 C ASP A 41 1.563 -3.348 -9.968 1.00 0.00 C ATOM 576 O ASP A 41 0.702 -2.857 -10.695 1.00 0.00 O ATOM 577 CB ASP A 41 2.332 -5.691 -10.192 1.00 0.00 C ATOM 578 CG ASP A 41 1.015 -6.219 -10.764 1.00 0.00 C ATOM 579 OD1 ASP A 41 -0.039 -5.706 -10.329 1.00 0.00 O ATOM 580 OD2 ASP A 41 1.091 -7.125 -11.622 1.00 0.00 O ATOM 0 H ASP A 41 4.516 -4.612 -9.660 1.00 0.00 H new ATOM 0 HA ASP A 41 2.705 -4.143 -11.640 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.144 -6.329 -10.541 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.301 -5.780 -9.106 1.00 0.00 H new ATOM 585 N ILE A 42 1.632 -3.166 -8.657 1.00 0.00 N ATOM 586 CA ILE A 42 0.657 -2.341 -7.964 1.00 0.00 C ATOM 587 C ILE A 42 0.634 -0.948 -8.595 1.00 0.00 C ATOM 588 O ILE A 42 -0.318 -0.593 -9.290 1.00 0.00 O ATOM 589 CB ILE A 42 0.937 -2.330 -6.460 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.844 -3.741 -5.875 1.00 0.00 C ATOM 591 CG2 ILE A 42 0.013 -1.347 -5.738 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.287 -3.757 -4.410 1.00 0.00 C ATOM 0 H ILE A 42 2.348 -3.576 -8.057 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.344 -2.759 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 42 1.959 -1.984 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.181 -4.104 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.468 -4.421 -6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.233 -1.358 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.172 -0.343 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.025 -1.639 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.211 -4.771 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.320 -3.416 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.646 -3.095 -3.829 1.00 0.00 H new ATOM 604 N ALA A 43 1.692 -0.196 -8.332 1.00 0.00 N ATOM 605 CA ALA A 43 1.805 1.151 -8.866 1.00 0.00 C ATOM 606 C ALA A 43 1.350 1.156 -10.327 1.00 0.00 C ATOM 607 O ALA A 43 0.504 1.960 -10.714 1.00 0.00 O ATOM 608 CB ALA A 43 3.243 1.647 -8.701 1.00 0.00 C ATOM 0 H ALA A 43 2.479 -0.494 -7.756 1.00 0.00 H new ATOM 0 HA ALA A 43 1.159 1.837 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.328 2.657 -9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.507 1.653 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.920 0.985 -9.240 1.00 0.00 H new ATOM 614 N LYS A 44 1.933 0.249 -11.097 1.00 0.00 N ATOM 615 CA LYS A 44 1.598 0.139 -12.507 1.00 0.00 C ATOM 616 C LYS A 44 0.084 -0.020 -12.656 1.00 0.00 C ATOM 617 O LYS A 44 -0.567 0.793 -13.311 1.00 0.00 O ATOM 618 CB LYS A 44 2.402 -0.986 -13.162 1.00 0.00 C ATOM 619 CG LYS A 44 2.028 -1.141 -14.637 1.00 0.00 C ATOM 620 CD LYS A 44 3.134 -0.596 -15.544 1.00 0.00 C ATOM 621 CE LYS A 44 3.290 -1.460 -16.797 1.00 0.00 C ATOM 622 NZ LYS A 44 4.186 -0.800 -17.773 1.00 0.00 N ATOM 0 H LYS A 44 2.635 -0.416 -10.772 1.00 0.00 H new ATOM 0 HA LYS A 44 1.877 1.050 -13.037 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.468 -0.775 -13.074 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.218 -1.923 -12.636 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.853 -2.193 -14.863 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.096 -0.613 -14.837 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.901 0.429 -15.831 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.077 -0.568 -14.998 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.694 -2.435 -16.525 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.314 -1.634 -17.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.281 -1.399 -18.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.785 0.120 -18.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.122 -0.656 -17.343 1.00 0.00 H new ATOM 636 N HIS A 45 -0.432 -1.072 -12.039 1.00 0.00 N ATOM 637 CA HIS A 45 -1.858 -1.348 -12.095 1.00 0.00 C ATOM 638 C HIS A 45 -2.640 -0.051 -11.878 1.00 0.00 C ATOM 639 O HIS A 45 -3.366 0.396 -12.765 1.00 0.00 O ATOM 640 CB HIS A 45 -2.239 -2.444 -11.097 1.00 0.00 C ATOM 641 CG HIS A 45 -3.726 -2.585 -10.879 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.526 -3.394 -11.668 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.550 -2.015 -9.953 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.773 -3.305 -11.228 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.785 -2.449 -10.166 1.00 0.00 N ATOM 0 H HIS A 45 0.112 -1.744 -11.497 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.120 -1.729 -13.082 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.842 -3.396 -11.449 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.760 -2.233 -10.141 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.248 -1.327 -9.178 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.629 -3.820 -11.638 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.608 -2.186 -9.625 1.00 0.00 H new ATOM 653 N VAL A 46 -2.466 0.517 -10.694 1.00 0.00 N ATOM 654 CA VAL A 46 -3.147 1.753 -10.350 1.00 0.00 C ATOM 655 C VAL A 46 -3.055 2.726 -11.527 1.00 0.00 C ATOM 656 O VAL A 46 -4.075 3.178 -12.044 1.00 0.00 O ATOM 657 CB VAL A 46 -2.569 2.326 -9.054 1.00 0.00 C ATOM 658 CG1 VAL A 46 -3.237 3.655 -8.696 1.00 0.00 C ATOM 659 CG2 VAL A 46 -2.694 1.322 -7.907 1.00 0.00 C ATOM 0 H VAL A 46 -1.863 0.144 -9.961 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.205 1.567 -10.164 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.508 2.518 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.808 4.040 -7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.072 4.373 -9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.308 3.500 -8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.276 1.754 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.745 1.084 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.150 0.412 -8.159 1.00 0.00 H new ATOM 669 N TYR A 47 -1.823 3.019 -11.916 1.00 0.00 N ATOM 670 CA TYR A 47 -1.584 3.930 -13.023 1.00 0.00 C ATOM 671 C TYR A 47 -2.347 3.486 -14.272 1.00 0.00 C ATOM 672 O TYR A 47 -3.036 4.288 -14.900 1.00 0.00 O ATOM 673 CB TYR A 47 -0.082 3.863 -13.307 1.00 0.00 C ATOM 674 CG TYR A 47 0.473 5.103 -14.010 1.00 0.00 C ATOM 675 CD1 TYR A 47 -0.066 5.514 -15.213 1.00 0.00 C ATOM 676 CD2 TYR A 47 1.514 5.811 -13.443 1.00 0.00 C ATOM 677 CE1 TYR A 47 0.457 6.681 -15.875 1.00 0.00 C ATOM 678 CE2 TYR A 47 2.037 6.978 -14.105 1.00 0.00 C ATOM 679 CZ TYR A 47 1.482 7.355 -15.289 1.00 0.00 C ATOM 680 OH TYR A 47 1.976 8.457 -15.914 1.00 0.00 O ATOM 0 H TYR A 47 -0.979 2.642 -11.484 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.918 4.937 -12.771 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.450 3.723 -12.366 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.123 2.987 -13.922 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.880 4.960 -15.657 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.936 5.489 -12.502 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.044 7.013 -16.816 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.851 7.541 -13.672 1.00 0.00 H new ATOM 0 HH TYR A 47 2.704 8.837 -15.380 1.00 0.00 H new ATOM 690 N ASP A 48 -2.199 2.210 -14.595 1.00 0.00 N ATOM 691 CA ASP A 48 -2.866 1.650 -15.758 1.00 0.00 C ATOM 692 C ASP A 48 -4.368 1.920 -15.659 1.00 0.00 C ATOM 693 O ASP A 48 -4.985 2.380 -16.618 1.00 0.00 O ATOM 694 CB ASP A 48 -2.662 0.136 -15.835 1.00 0.00 C ATOM 695 CG ASP A 48 -1.588 -0.323 -16.823 1.00 0.00 C ATOM 696 OD1 ASP A 48 -0.401 -0.060 -16.534 1.00 0.00 O ATOM 697 OD2 ASP A 48 -1.978 -0.927 -17.846 1.00 0.00 O ATOM 0 H ASP A 48 -1.627 1.548 -14.071 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.441 2.117 -16.647 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.402 -0.231 -14.842 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.609 -0.329 -16.109 1.00 0.00 H new ATOM 702 N ASN A 49 -4.914 1.622 -14.489 1.00 0.00 N ATOM 703 CA ASN A 49 -6.333 1.827 -14.251 1.00 0.00 C ATOM 704 C ASN A 49 -6.652 3.320 -14.350 1.00 0.00 C ATOM 705 O ASN A 49 -5.761 4.135 -14.584 1.00 0.00 O ATOM 706 CB ASN A 49 -6.732 1.350 -12.853 1.00 0.00 C ATOM 707 CG ASN A 49 -6.038 0.032 -12.505 1.00 0.00 C ATOM 708 OD1 ASN A 49 -5.583 -0.186 -11.394 1.00 0.00 O ATOM 709 ND2 ASN A 49 -5.983 -0.834 -13.513 1.00 0.00 N ATOM 0 H ASN A 49 -4.399 1.240 -13.695 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.886 1.257 -14.998 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.469 2.109 -12.117 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.813 1.220 -12.804 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.540 -1.743 -13.381 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.384 -0.589 -14.418 1.00 0.00 H new ATOM 716 N TRP A 50 -7.926 3.634 -14.167 1.00 0.00 N ATOM 717 CA TRP A 50 -8.374 5.014 -14.233 1.00 0.00 C ATOM 718 C TRP A 50 -8.089 5.537 -15.642 1.00 0.00 C ATOM 719 O TRP A 50 -6.983 5.992 -15.928 1.00 0.00 O ATOM 720 CB TRP A 50 -7.716 5.857 -13.139 1.00 0.00 C ATOM 721 CG TRP A 50 -7.964 5.340 -11.720 1.00 0.00 C ATOM 722 CD1 TRP A 50 -9.045 4.701 -11.253 1.00 0.00 C ATOM 723 CD2 TRP A 50 -7.064 5.443 -10.597 1.00 0.00 C ATOM 724 NE1 TRP A 50 -8.909 4.387 -9.916 1.00 0.00 N ATOM 725 CE2 TRP A 50 -7.665 4.852 -9.505 1.00 0.00 C ATOM 726 CE3 TRP A 50 -5.783 6.017 -10.507 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.061 4.778 -8.244 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.193 5.935 -9.241 1.00 0.00 C ATOM 729 CH2 TRP A 50 -5.785 5.344 -8.131 1.00 0.00 C ATOM 0 H TRP A 50 -8.663 2.956 -13.973 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.446 5.080 -14.047 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -6.642 5.892 -13.319 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -8.085 6.880 -13.212 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -9.914 4.462 -11.848 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.595 3.903 -9.336 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.293 6.484 -11.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.552 4.310 -7.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.208 6.361 -9.118 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.263 5.321 -7.186 1.00 0.00 H new ATOM 740 N PRO A 51 -9.134 5.453 -16.509 1.00 0.00 N ATOM 741 CA PRO A 51 -9.007 5.912 -17.881 1.00 0.00 C ATOM 742 C PRO A 51 -9.027 7.440 -17.953 1.00 0.00 C ATOM 743 O PRO A 51 -9.980 8.029 -18.460 1.00 0.00 O ATOM 744 CB PRO A 51 -10.169 5.267 -18.621 1.00 0.00 C ATOM 745 CG PRO A 51 -11.164 4.851 -17.550 1.00 0.00 C ATOM 746 CD PRO A 51 -10.459 4.920 -16.205 1.00 0.00 C ATOM 0 HA PRO A 51 -8.057 5.628 -18.333 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.621 5.967 -19.324 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.834 4.406 -19.199 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.033 5.510 -17.560 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.528 3.841 -17.739 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.995 5.565 -15.509 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.393 3.936 -15.741 1.00 0.00 H new ATOM 754 N MET A 52 -7.963 8.038 -17.436 1.00 0.00 N ATOM 755 CA MET A 52 -7.846 9.486 -17.435 1.00 0.00 C ATOM 756 C MET A 52 -6.384 9.918 -17.314 1.00 0.00 C ATOM 757 O MET A 52 -5.627 9.348 -16.529 1.00 0.00 O ATOM 758 CB MET A 52 -8.648 10.062 -16.266 1.00 0.00 C ATOM 759 CG MET A 52 -8.951 11.546 -16.487 1.00 0.00 C ATOM 760 SD MET A 52 -10.584 11.932 -15.878 1.00 0.00 S ATOM 761 CE MET A 52 -11.540 11.656 -17.360 1.00 0.00 C ATOM 0 H MET A 52 -7.175 7.546 -17.015 1.00 0.00 H new ATOM 0 HA MET A 52 -8.240 9.864 -18.378 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.581 9.510 -16.153 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.089 9.935 -15.339 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.209 12.158 -15.974 1.00 0.00 H new ATOM 0 HG3 MET A 52 -8.883 11.785 -17.548 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.592 11.853 -17.156 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.191 12.324 -18.148 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.421 10.622 -17.683 1.00 0.00 H new ATOM 771 N ASP A 53 -6.029 10.922 -18.103 1.00 0.00 N ATOM 772 CA ASP A 53 -4.670 11.437 -18.094 1.00 0.00 C ATOM 773 C ASP A 53 -4.230 11.678 -16.648 1.00 0.00 C ATOM 774 O ASP A 53 -5.027 12.110 -15.817 1.00 0.00 O ATOM 775 CB ASP A 53 -4.581 12.768 -18.843 1.00 0.00 C ATOM 776 CG ASP A 53 -3.452 12.856 -19.872 1.00 0.00 C ATOM 777 OD1 ASP A 53 -2.316 13.156 -19.445 1.00 0.00 O ATOM 778 OD2 ASP A 53 -3.750 12.620 -21.063 1.00 0.00 O ATOM 0 H ASP A 53 -6.659 11.392 -18.753 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.028 10.704 -18.583 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.529 12.947 -19.350 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.453 13.569 -18.115 1.00 0.00 H new ATOM 783 N TRP A 54 -2.963 11.387 -16.393 1.00 0.00 N ATOM 784 CA TRP A 54 -2.408 11.567 -15.062 1.00 0.00 C ATOM 785 C TRP A 54 -1.522 12.814 -15.084 1.00 0.00 C ATOM 786 O TRP A 54 -0.380 12.761 -15.536 1.00 0.00 O ATOM 787 CB TRP A 54 -1.661 10.312 -14.606 1.00 0.00 C ATOM 788 CG TRP A 54 -2.244 9.663 -13.349 1.00 0.00 C ATOM 789 CD1 TRP A 54 -3.530 9.409 -13.073 1.00 0.00 C ATOM 790 CD2 TRP A 54 -1.504 9.193 -12.203 1.00 0.00 C ATOM 791 NE1 TRP A 54 -3.674 8.812 -11.837 1.00 0.00 N ATOM 792 CE2 TRP A 54 -2.403 8.676 -11.291 1.00 0.00 C ATOM 793 CE3 TRP A 54 -0.122 9.203 -11.944 1.00 0.00 C ATOM 794 CZ2 TRP A 54 -2.018 8.132 -10.060 1.00 0.00 C ATOM 795 CZ3 TRP A 54 0.246 8.656 -10.709 1.00 0.00 C ATOM 796 CH2 TRP A 54 -0.646 8.132 -9.781 1.00 0.00 C ATOM 0 H TRP A 54 -2.305 11.028 -17.085 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.202 11.716 -14.330 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.669 9.583 -15.416 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.619 10.570 -14.419 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.351 9.642 -13.735 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.551 8.524 -11.404 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.599 9.601 -12.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.740 7.734 -9.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.297 8.640 -10.460 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.282 7.726 -8.848 1.00 0.00 H new ATOM 807 N GLU A 55 -2.084 13.908 -14.590 1.00 0.00 N ATOM 808 CA GLU A 55 -1.360 15.167 -14.547 1.00 0.00 C ATOM 809 C GLU A 55 -0.459 15.219 -13.311 1.00 0.00 C ATOM 810 O GLU A 55 -0.869 15.707 -12.259 1.00 0.00 O ATOM 811 CB GLU A 55 -2.324 16.355 -14.572 1.00 0.00 C ATOM 812 CG GLU A 55 -1.933 17.354 -15.663 1.00 0.00 C ATOM 813 CD GLU A 55 -2.987 18.455 -15.800 1.00 0.00 C ATOM 814 OE1 GLU A 55 -3.978 18.206 -16.520 1.00 0.00 O ATOM 815 OE2 GLU A 55 -2.777 19.522 -15.183 1.00 0.00 O ATOM 0 H GLU A 55 -3.032 13.948 -14.216 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.731 15.232 -15.435 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.340 16.000 -14.746 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.321 16.851 -13.601 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.966 17.798 -15.425 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.819 16.834 -16.614 1.00 0.00 H new ATOM 822 N GLU A 56 0.753 14.709 -13.480 1.00 0.00 N ATOM 823 CA GLU A 56 1.715 14.691 -12.392 1.00 0.00 C ATOM 824 C GLU A 56 2.497 16.006 -12.353 1.00 0.00 C ATOM 825 O GLU A 56 2.272 16.890 -13.177 1.00 0.00 O ATOM 826 CB GLU A 56 2.661 13.494 -12.516 1.00 0.00 C ATOM 827 CG GLU A 56 3.475 13.571 -13.809 1.00 0.00 C ATOM 828 CD GLU A 56 2.785 12.800 -14.937 1.00 0.00 C ATOM 829 OE1 GLU A 56 2.600 11.577 -14.758 1.00 0.00 O ATOM 830 OE2 GLU A 56 2.458 13.451 -15.952 1.00 0.00 O ATOM 0 H GLU A 56 1.090 14.305 -14.354 1.00 0.00 H new ATOM 0 HA GLU A 56 1.171 14.586 -11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.334 13.468 -11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.086 12.568 -12.498 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.603 14.613 -14.101 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.471 13.163 -13.641 1.00 0.00 H new ATOM 837 N GLU A 57 3.399 16.093 -11.386 1.00 0.00 N ATOM 838 CA GLU A 57 4.215 17.284 -11.229 1.00 0.00 C ATOM 839 C GLU A 57 4.844 17.677 -12.567 1.00 0.00 C ATOM 840 O GLU A 57 4.423 18.648 -13.194 1.00 0.00 O ATOM 841 CB GLU A 57 5.288 17.077 -10.158 1.00 0.00 C ATOM 842 CG GLU A 57 5.040 17.984 -8.951 1.00 0.00 C ATOM 843 CD GLU A 57 4.369 17.211 -7.813 1.00 0.00 C ATOM 844 OE1 GLU A 57 3.420 16.459 -8.121 1.00 0.00 O ATOM 845 OE2 GLU A 57 4.821 17.391 -6.662 1.00 0.00 O ATOM 0 H GLU A 57 3.582 15.357 -10.703 1.00 0.00 H new ATOM 0 HA GLU A 57 3.572 18.100 -10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.292 16.035 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.272 17.286 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.986 18.401 -8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.411 18.824 -9.246 1.00 0.00 H new ATOM 852 N GLN A 58 5.843 16.903 -12.965 1.00 0.00 N ATOM 853 CA GLN A 58 6.534 17.157 -14.217 1.00 0.00 C ATOM 854 C GLN A 58 7.651 16.132 -14.424 1.00 0.00 C ATOM 855 O GLN A 58 8.823 16.496 -14.520 1.00 0.00 O ATOM 856 CB GLN A 58 7.085 18.584 -14.259 1.00 0.00 C ATOM 857 CG GLN A 58 7.027 19.153 -15.678 1.00 0.00 C ATOM 858 CD GLN A 58 8.401 19.091 -16.350 1.00 0.00 C ATOM 859 OE1 GLN A 58 8.708 17.895 -16.844 1.00 0.00 O flip ATOM 860 NE2 GLN A 58 9.133 20.065 -16.414 1.00 0.00 N flip ATOM 0 H GLN A 58 6.190 16.099 -12.442 1.00 0.00 H new ATOM 0 HA GLN A 58 5.818 17.055 -15.032 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.511 19.219 -13.585 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.115 18.590 -13.903 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.303 18.592 -16.269 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.680 20.186 -15.646 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.835 20.954 -16.013 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.043 19.990 -16.868 1.00 0.00 H new ATOM 869 N VAL A 59 7.250 14.871 -14.488 1.00 0.00 N ATOM 870 CA VAL A 59 8.202 13.791 -14.682 1.00 0.00 C ATOM 871 C VAL A 59 7.524 12.650 -15.442 1.00 0.00 C ATOM 872 O VAL A 59 6.353 12.354 -15.210 1.00 0.00 O ATOM 873 CB VAL A 59 8.778 13.353 -13.334 1.00 0.00 C ATOM 874 CG1 VAL A 59 9.922 14.272 -12.902 1.00 0.00 C ATOM 875 CG2 VAL A 59 7.686 13.295 -12.264 1.00 0.00 C ATOM 0 H VAL A 59 6.278 14.573 -14.409 1.00 0.00 H new ATOM 0 HA VAL A 59 9.044 14.128 -15.286 1.00 0.00 H new ATOM 0 HB VAL A 59 9.183 12.348 -13.453 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.313 13.939 -11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.716 14.240 -13.648 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.553 15.293 -12.809 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.122 12.981 -11.316 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.237 14.282 -12.148 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.919 12.581 -12.565 1.00 0.00 H new ATOM 885 N SER A 60 8.289 12.040 -16.335 1.00 0.00 N ATOM 886 CA SER A 60 7.777 10.937 -17.131 1.00 0.00 C ATOM 887 C SER A 60 8.690 9.718 -16.986 1.00 0.00 C ATOM 888 O SER A 60 8.815 8.918 -17.911 1.00 0.00 O ATOM 889 CB SER A 60 7.651 11.333 -18.604 1.00 0.00 C ATOM 890 OG SER A 60 6.305 11.250 -19.065 1.00 0.00 O ATOM 0 H SER A 60 9.260 12.289 -16.525 1.00 0.00 H new ATOM 0 HA SER A 60 6.782 10.684 -16.764 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.018 12.350 -18.739 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.283 10.683 -19.210 1.00 0.00 H new ATOM 0 HG SER A 60 6.266 11.512 -20.008 1.00 0.00 H new ATOM 896 N SER A 61 9.306 9.616 -15.817 1.00 0.00 N ATOM 897 CA SER A 61 10.204 8.508 -15.538 1.00 0.00 C ATOM 898 C SER A 61 9.401 7.281 -15.102 1.00 0.00 C ATOM 899 O SER A 61 8.312 7.412 -14.546 1.00 0.00 O ATOM 900 CB SER A 61 11.225 8.884 -14.463 1.00 0.00 C ATOM 901 OG SER A 61 12.148 9.867 -14.924 1.00 0.00 O ATOM 0 H SER A 61 9.201 10.283 -15.052 1.00 0.00 H new ATOM 0 HA SER A 61 10.750 8.271 -16.451 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.703 9.261 -13.583 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.770 7.992 -14.153 1.00 0.00 H new ATOM 0 HG SER A 61 12.287 10.539 -14.224 1.00 0.00 H new ATOM 907 N PRO A 62 9.986 6.084 -15.377 1.00 0.00 N ATOM 908 CA PRO A 62 9.337 4.834 -15.019 1.00 0.00 C ATOM 909 C PRO A 62 9.437 4.576 -13.514 1.00 0.00 C ATOM 910 O PRO A 62 8.826 3.641 -13.000 1.00 0.00 O ATOM 911 CB PRO A 62 10.039 3.774 -15.852 1.00 0.00 C ATOM 912 CG PRO A 62 11.355 4.394 -16.293 1.00 0.00 C ATOM 913 CD PRO A 62 11.275 5.890 -16.034 1.00 0.00 C ATOM 0 HA PRO A 62 8.267 4.840 -15.227 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.210 2.869 -15.269 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.434 3.489 -16.713 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.187 3.955 -15.743 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.534 4.199 -17.350 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.096 6.227 -15.402 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.335 6.457 -16.963 1.00 0.00 H new ATOM 921 N ASN A 63 10.211 5.422 -12.851 1.00 0.00 N ATOM 922 CA ASN A 63 10.399 5.297 -11.416 1.00 0.00 C ATOM 923 C ASN A 63 10.245 6.673 -10.764 1.00 0.00 C ATOM 924 O ASN A 63 11.199 7.446 -10.703 1.00 0.00 O ATOM 925 CB ASN A 63 11.798 4.773 -11.087 1.00 0.00 C ATOM 926 CG ASN A 63 11.923 3.288 -11.434 1.00 0.00 C ATOM 927 OD1 ASN A 63 11.954 3.039 -12.740 1.00 0.00 O flip ATOM 928 ND2 ASN A 63 11.987 2.425 -10.573 1.00 0.00 N flip ATOM 0 H ASN A 63 10.715 6.197 -13.281 1.00 0.00 H new ATOM 0 HA ASN A 63 9.654 4.597 -11.038 1.00 0.00 H new ATOM 0 HB2 ASN A 63 12.543 5.344 -11.641 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.006 4.921 -10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.958 2.685 -9.587 1.00 0.00 H new ATOM 0 HD22 ASN A 63 12.070 1.444 -10.839 1.00 0.00 H new ATOM 935 N ILE A 64 9.034 6.936 -10.293 1.00 0.00 N ATOM 936 CA ILE A 64 8.743 8.205 -9.648 1.00 0.00 C ATOM 937 C ILE A 64 7.624 8.006 -8.624 1.00 0.00 C ATOM 938 O ILE A 64 7.723 8.477 -7.492 1.00 0.00 O ATOM 939 CB ILE A 64 8.435 9.279 -10.694 1.00 0.00 C ATOM 940 CG1 ILE A 64 7.851 8.657 -11.964 1.00 0.00 C ATOM 941 CG2 ILE A 64 9.674 10.128 -10.988 1.00 0.00 C ATOM 942 CD1 ILE A 64 7.246 9.730 -12.871 1.00 0.00 C ATOM 0 H ILE A 64 8.244 6.293 -10.345 1.00 0.00 H new ATOM 0 HA ILE A 64 9.615 8.564 -9.102 1.00 0.00 H new ATOM 0 HB ILE A 64 7.676 9.947 -10.285 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.632 8.119 -12.502 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.086 7.927 -11.698 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.429 10.884 -11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.006 10.617 -10.072 1.00 0.00 H new ATOM 0 HG23 ILE A 64 10.471 9.489 -11.367 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.838 9.262 -13.767 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.450 10.250 -12.338 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.019 10.444 -13.155 1.00 0.00 H new ATOM 954 N LEU A 65 6.584 7.309 -9.058 1.00 0.00 N ATOM 955 CA LEU A 65 5.448 7.042 -8.193 1.00 0.00 C ATOM 956 C LEU A 65 5.833 5.974 -7.167 1.00 0.00 C ATOM 957 O LEU A 65 6.203 4.860 -7.534 1.00 0.00 O ATOM 958 CB LEU A 65 4.215 6.680 -9.024 1.00 0.00 C ATOM 959 CG LEU A 65 4.115 5.221 -9.475 1.00 0.00 C ATOM 960 CD1 LEU A 65 2.776 4.951 -10.164 1.00 0.00 C ATOM 961 CD2 LEU A 65 5.303 4.838 -10.360 1.00 0.00 C ATOM 0 H LEU A 65 6.505 6.921 -9.998 1.00 0.00 H new ATOM 0 HA LEU A 65 5.176 7.938 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.325 6.922 -8.442 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.199 7.315 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 65 4.155 4.586 -8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.731 3.907 -10.475 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.961 5.159 -9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.681 5.594 -11.039 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.207 3.796 -10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.319 5.476 -11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.230 4.968 -9.801 1.00 0.00 H new ATOM 973 N ARG A 66 5.733 6.352 -5.901 1.00 0.00 N ATOM 974 CA ARG A 66 6.066 5.441 -4.820 1.00 0.00 C ATOM 975 C ARG A 66 4.810 5.077 -4.026 1.00 0.00 C ATOM 976 O ARG A 66 3.796 5.769 -4.109 1.00 0.00 O ATOM 977 CB ARG A 66 7.096 6.063 -3.873 1.00 0.00 C ATOM 978 CG ARG A 66 8.410 5.279 -3.901 1.00 0.00 C ATOM 979 CD ARG A 66 9.288 5.639 -2.702 1.00 0.00 C ATOM 980 NE ARG A 66 10.692 5.816 -3.137 1.00 0.00 N ATOM 981 CZ ARG A 66 11.570 4.812 -3.265 1.00 0.00 C ATOM 982 NH1 ARG A 66 11.196 3.555 -2.992 1.00 0.00 N ATOM 983 NH2 ARG A 66 12.823 5.065 -3.667 1.00 0.00 N ATOM 0 H ARG A 66 5.426 7.277 -5.600 1.00 0.00 H new ATOM 0 HA ARG A 66 6.493 4.542 -5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.280 7.098 -4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.699 6.079 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.200 4.209 -3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.946 5.493 -4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.925 6.555 -2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.228 4.854 -1.948 1.00 0.00 H new ATOM 0 HE ARG A 66 11.011 6.761 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.242 3.362 -2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.865 2.791 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.108 6.022 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.491 4.301 -3.764 1.00 0.00 H new ATOM 997 N LEU A 67 4.917 3.990 -3.275 1.00 0.00 N ATOM 998 CA LEU A 67 3.802 3.525 -2.468 1.00 0.00 C ATOM 999 C LEU A 67 4.143 3.700 -0.987 1.00 0.00 C ATOM 1000 O LEU A 67 5.185 3.236 -0.527 1.00 0.00 O ATOM 1001 CB LEU A 67 3.427 2.092 -2.848 1.00 0.00 C ATOM 1002 CG LEU A 67 3.228 1.120 -1.683 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.908 1.394 -0.959 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.331 -0.332 -2.156 1.00 0.00 C ATOM 0 H LEU A 67 5.759 3.418 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 67 2.913 4.125 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.507 2.121 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.206 1.694 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 67 4.030 1.282 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.792 0.689 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.912 2.411 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.079 1.277 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.186 -1.002 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.565 -0.525 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.316 -0.504 -2.590 1.00 0.00 H new ATOM 1016 N ILE A 68 3.245 4.372 -0.281 1.00 0.00 N ATOM 1017 CA ILE A 68 3.437 4.614 1.139 1.00 0.00 C ATOM 1018 C ILE A 68 2.544 3.664 1.939 1.00 0.00 C ATOM 1019 O ILE A 68 1.375 3.475 1.604 1.00 0.00 O ATOM 1020 CB ILE A 68 3.212 6.092 1.465 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.297 6.965 0.831 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.111 6.310 2.976 1.00 0.00 C ATOM 1023 CD1 ILE A 68 3.742 7.755 -0.355 1.00 0.00 C ATOM 0 H ILE A 68 2.382 4.756 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 68 4.467 4.401 1.427 1.00 0.00 H new ATOM 0 HB ILE A 68 2.260 6.397 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.696 7.653 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.125 6.339 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.951 7.369 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.275 5.733 3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.035 5.983 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.534 8.367 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.366 7.063 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.930 8.399 -0.016 1.00 0.00 H new ATOM 1035 N TYR A 69 3.127 3.092 2.982 1.00 0.00 N ATOM 1036 CA TYR A 69 2.399 2.167 3.833 1.00 0.00 C ATOM 1037 C TYR A 69 2.630 2.483 5.312 1.00 0.00 C ATOM 1038 O TYR A 69 3.770 2.512 5.773 1.00 0.00 O ATOM 1039 CB TYR A 69 2.963 0.778 3.526 1.00 0.00 C ATOM 1040 CG TYR A 69 2.292 -0.353 4.308 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.058 -0.150 4.892 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.920 -1.576 4.428 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.426 -1.215 5.627 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.288 -2.641 5.164 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.072 -2.408 5.727 1.00 0.00 C ATOM 1046 OH TYR A 69 0.475 -3.413 6.421 1.00 0.00 O ATOM 0 H TYR A 69 4.096 3.252 3.257 1.00 0.00 H new ATOM 0 HA TYR A 69 1.328 2.235 3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.856 0.581 2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.031 0.774 3.745 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.567 0.807 4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.885 -1.735 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.540 -1.070 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.769 -3.603 5.266 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.499 -3.321 6.357 1.00 0.00 H new ATOM 1056 N GLN A 70 1.530 2.713 6.014 1.00 0.00 N ATOM 1057 CA GLN A 70 1.599 3.027 7.431 1.00 0.00 C ATOM 1058 C GLN A 70 2.409 4.306 7.653 1.00 0.00 C ATOM 1059 O GLN A 70 2.831 4.591 8.772 1.00 0.00 O ATOM 1060 CB GLN A 70 2.191 1.859 8.223 1.00 0.00 C ATOM 1061 CG GLN A 70 1.087 0.951 8.768 1.00 0.00 C ATOM 1062 CD GLN A 70 1.200 0.801 10.286 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.832 1.591 10.968 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.554 -0.254 10.775 1.00 0.00 N ATOM 0 H GLN A 70 0.586 2.688 5.628 1.00 0.00 H new ATOM 0 HA GLN A 70 0.586 3.194 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.858 1.282 7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.792 2.242 9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.112 1.364 8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.152 -0.030 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.044 -0.876 10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.569 -0.441 11.778 1.00 0.00 H new ATOM 1073 N GLY A 71 2.601 5.042 6.568 1.00 0.00 N ATOM 1074 CA GLY A 71 3.352 6.284 6.630 1.00 0.00 C ATOM 1075 C GLY A 71 4.704 6.144 5.927 1.00 0.00 C ATOM 1076 O GLY A 71 5.183 7.088 5.301 1.00 0.00 O ATOM 0 H GLY A 71 2.249 4.802 5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.777 7.084 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.507 6.568 7.671 1.00 0.00 H new ATOM 1080 N ARG A 72 5.279 4.957 6.052 1.00 0.00 N ATOM 1081 CA ARG A 72 6.566 4.680 5.436 1.00 0.00 C ATOM 1082 C ARG A 72 6.387 4.380 3.946 1.00 0.00 C ATOM 1083 O ARG A 72 5.266 4.381 3.439 1.00 0.00 O ATOM 1084 CB ARG A 72 7.255 3.492 6.110 1.00 0.00 C ATOM 1085 CG ARG A 72 6.452 2.205 5.907 1.00 0.00 C ATOM 1086 CD ARG A 72 7.380 0.998 5.758 1.00 0.00 C ATOM 1087 NE ARG A 72 6.716 -0.218 6.278 1.00 0.00 N ATOM 1088 CZ ARG A 72 7.333 -1.395 6.452 1.00 0.00 C ATOM 1089 NH1 ARG A 72 8.632 -1.522 6.149 1.00 0.00 N ATOM 1090 NH2 ARG A 72 6.651 -2.445 6.930 1.00 0.00 N ATOM 0 H ARG A 72 4.877 4.176 6.571 1.00 0.00 H new ATOM 0 HA ARG A 72 7.191 5.565 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.257 3.368 5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.369 3.690 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.783 2.052 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.826 2.299 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.643 0.858 4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.310 1.174 6.299 1.00 0.00 H new ATOM 0 HE ARG A 72 5.727 -0.157 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.151 -0.723 5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.101 -2.418 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.662 -2.348 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.121 -3.341 7.062 1.00 0.00 H new ATOM 1104 N PHE A 73 7.509 4.130 3.287 1.00 0.00 N ATOM 1105 CA PHE A 73 7.490 3.829 1.866 1.00 0.00 C ATOM 1106 C PHE A 73 7.974 2.401 1.601 1.00 0.00 C ATOM 1107 O PHE A 73 8.897 1.923 2.259 1.00 0.00 O ATOM 1108 CB PHE A 73 8.446 4.812 1.187 1.00 0.00 C ATOM 1109 CG PHE A 73 8.108 6.283 1.441 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.512 6.885 2.591 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.404 6.988 0.515 1.00 0.00 C ATOM 1112 CE1 PHE A 73 8.199 8.250 2.826 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.091 8.353 0.750 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.495 8.955 1.900 1.00 0.00 C ATOM 0 H PHE A 73 8.437 4.130 3.711 1.00 0.00 H new ATOM 0 HA PHE A 73 6.474 3.918 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.460 4.617 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.438 4.628 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.071 6.325 3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.083 6.510 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.520 8.728 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.532 8.913 0.015 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.257 9.993 2.078 1.00 0.00 H new ATOM 1124 N LEU A 74 7.329 1.761 0.637 1.00 0.00 N ATOM 1125 CA LEU A 74 7.682 0.398 0.278 1.00 0.00 C ATOM 1126 C LEU A 74 8.563 0.417 -0.973 1.00 0.00 C ATOM 1127 O LEU A 74 8.447 1.316 -1.805 1.00 0.00 O ATOM 1128 CB LEU A 74 6.424 -0.460 0.132 1.00 0.00 C ATOM 1129 CG LEU A 74 5.576 -0.628 1.394 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.289 -1.397 1.091 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.385 -1.284 2.515 1.00 0.00 C ATOM 0 H LEU A 74 6.564 2.161 0.094 1.00 0.00 H new ATOM 0 HA LEU A 74 8.266 -0.067 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.799 -0.023 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.721 -1.449 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 74 5.285 0.362 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.705 -1.503 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.706 -0.852 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.538 -2.385 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.759 -1.392 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.726 -2.267 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.247 -0.661 2.754 1.00 0.00 H new ATOM 1143 N HIS A 75 9.424 -0.586 -1.067 1.00 0.00 N ATOM 1144 CA HIS A 75 10.324 -0.696 -2.203 1.00 0.00 C ATOM 1145 C HIS A 75 9.537 -1.129 -3.441 1.00 0.00 C ATOM 1146 O HIS A 75 8.430 -1.655 -3.325 1.00 0.00 O ATOM 1147 CB HIS A 75 11.490 -1.633 -1.883 1.00 0.00 C ATOM 1148 CG HIS A 75 12.838 -1.106 -2.312 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.448 -1.482 -3.496 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.685 -0.227 -1.705 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.610 -0.852 -3.586 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.756 -0.075 -2.475 1.00 0.00 N ATOM 0 H HIS A 75 9.517 -1.330 -0.375 1.00 0.00 H new ATOM 0 HA HIS A 75 10.765 0.277 -2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.509 -1.819 -0.809 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.315 -2.593 -2.369 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.514 0.263 -0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.318 -0.939 -4.397 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.556 0.524 -2.269 1.00 0.00 H new ATOM 1160 N GLY A 76 10.138 -0.893 -4.598 1.00 0.00 N ATOM 1161 CA GLY A 76 9.507 -1.252 -5.856 1.00 0.00 C ATOM 1162 C GLY A 76 9.704 -2.738 -6.163 1.00 0.00 C ATOM 1163 O GLY A 76 8.976 -3.310 -6.974 1.00 0.00 O ATOM 0 H GLY A 76 11.056 -0.457 -4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.442 -1.024 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.928 -0.651 -6.663 1.00 0.00 H new ATOM 1167 N ASN A 77 10.691 -3.321 -5.500 1.00 0.00 N ATOM 1168 CA ASN A 77 10.993 -4.730 -5.692 1.00 0.00 C ATOM 1169 C ASN A 77 10.233 -5.556 -4.651 1.00 0.00 C ATOM 1170 O ASN A 77 10.103 -6.771 -4.793 1.00 0.00 O ATOM 1171 CB ASN A 77 12.487 -5.003 -5.512 1.00 0.00 C ATOM 1172 CG ASN A 77 13.062 -5.730 -6.729 1.00 0.00 C ATOM 1173 OD1 ASN A 77 13.219 -5.171 -7.802 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.366 -7.005 -6.504 1.00 0.00 N ATOM 0 H ASN A 77 11.293 -2.844 -4.829 1.00 0.00 H new ATOM 0 HA ASN A 77 10.696 -5.004 -6.704 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.017 -4.062 -5.362 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.645 -5.604 -4.617 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.756 -7.576 -7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.210 -7.411 -5.582 1.00 0.00 H new ATOM 1181 N VAL A 78 9.752 -4.863 -3.629 1.00 0.00 N ATOM 1182 CA VAL A 78 9.009 -5.518 -2.566 1.00 0.00 C ATOM 1183 C VAL A 78 7.765 -6.186 -3.155 1.00 0.00 C ATOM 1184 O VAL A 78 7.263 -5.764 -4.196 1.00 0.00 O ATOM 1185 CB VAL A 78 8.681 -4.512 -1.461 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.525 -5.010 -0.591 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.916 -4.208 -0.611 1.00 0.00 C ATOM 0 H VAL A 78 9.862 -3.855 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 78 9.611 -6.302 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 78 8.366 -3.583 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.312 -4.276 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.639 -5.151 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.799 -5.958 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.655 -3.490 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.276 -5.128 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.699 -3.789 -1.243 1.00 0.00 H new ATOM 1197 N THR A 79 7.302 -7.217 -2.464 1.00 0.00 N ATOM 1198 CA THR A 79 6.126 -7.947 -2.906 1.00 0.00 C ATOM 1199 C THR A 79 5.237 -8.299 -1.711 1.00 0.00 C ATOM 1200 O THR A 79 5.732 -8.721 -0.667 1.00 0.00 O ATOM 1201 CB THR A 79 6.598 -9.171 -3.693 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.719 -9.649 -2.954 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.182 -8.800 -5.058 1.00 0.00 C ATOM 0 H THR A 79 7.720 -7.564 -1.601 1.00 0.00 H new ATOM 0 HA THR A 79 5.506 -7.338 -3.564 1.00 0.00 H new ATOM 0 HB THR A 79 5.763 -9.858 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.086 -10.444 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.502 -9.705 -5.575 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.423 -8.291 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.038 -8.139 -4.920 1.00 0.00 H new ATOM 1211 N LEU A 80 3.940 -8.112 -1.905 1.00 0.00 N ATOM 1212 CA LEU A 80 2.977 -8.404 -0.857 1.00 0.00 C ATOM 1213 C LEU A 80 3.384 -9.693 -0.141 1.00 0.00 C ATOM 1214 O LEU A 80 3.174 -9.832 1.063 1.00 0.00 O ATOM 1215 CB LEU A 80 1.558 -8.439 -1.428 1.00 0.00 C ATOM 1216 CG LEU A 80 0.916 -7.080 -1.714 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.408 -7.245 -2.462 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.750 -6.270 -0.427 1.00 0.00 C ATOM 0 H LEU A 80 3.533 -7.762 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 80 2.975 -7.611 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.575 -9.013 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.920 -8.980 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 80 1.585 -6.517 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.843 -6.264 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.230 -7.753 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.096 -7.836 -1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.292 -5.309 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.113 -6.818 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.727 -6.106 0.028 1.00 0.00 H new ATOM 1230 N GLY A 81 3.959 -10.605 -0.913 1.00 0.00 N ATOM 1231 CA GLY A 81 4.397 -11.878 -0.367 1.00 0.00 C ATOM 1232 C GLY A 81 5.440 -11.673 0.733 1.00 0.00 C ATOM 1233 O GLY A 81 5.293 -12.194 1.838 1.00 0.00 O ATOM 0 H GLY A 81 4.131 -10.487 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.541 -12.419 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.818 -12.493 -1.162 1.00 0.00 H new ATOM 1237 N ALA A 82 6.471 -10.914 0.393 1.00 0.00 N ATOM 1238 CA ALA A 82 7.539 -10.634 1.338 1.00 0.00 C ATOM 1239 C ALA A 82 6.965 -9.879 2.539 1.00 0.00 C ATOM 1240 O ALA A 82 7.538 -9.910 3.627 1.00 0.00 O ATOM 1241 CB ALA A 82 8.651 -9.854 0.636 1.00 0.00 C ATOM 0 H ALA A 82 6.590 -10.484 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 82 7.976 -11.561 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.452 -9.644 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.044 -10.445 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.251 -8.915 0.253 1.00 0.00 H new ATOM 1247 N LEU A 83 5.842 -9.218 2.301 1.00 0.00 N ATOM 1248 CA LEU A 83 5.185 -8.456 3.349 1.00 0.00 C ATOM 1249 C LEU A 83 4.299 -9.391 4.175 1.00 0.00 C ATOM 1250 O LEU A 83 3.643 -8.956 5.120 1.00 0.00 O ATOM 1251 CB LEU A 83 4.434 -7.263 2.754 1.00 0.00 C ATOM 1252 CG LEU A 83 5.276 -6.277 1.942 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.399 -5.188 1.322 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.405 -5.690 2.791 1.00 0.00 C ATOM 0 H LEU A 83 5.370 -9.194 1.397 1.00 0.00 H new ATOM 0 HA LEU A 83 5.922 -8.031 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.638 -7.643 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.956 -6.718 3.568 1.00 0.00 H new ATOM 0 HG LEU A 83 5.742 -6.822 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.022 -4.500 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.663 -5.646 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.886 -4.640 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.988 -4.993 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.981 -5.165 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.052 -6.494 3.143 1.00 0.00 H new ATOM 1266 N LYS A 84 4.309 -10.658 3.788 1.00 0.00 N ATOM 1267 CA LYS A 84 3.515 -11.658 4.481 1.00 0.00 C ATOM 1268 C LYS A 84 2.236 -11.009 5.013 1.00 0.00 C ATOM 1269 O LYS A 84 1.850 -11.236 6.158 1.00 0.00 O ATOM 1270 CB LYS A 84 4.348 -12.351 5.561 1.00 0.00 C ATOM 1271 CG LYS A 84 5.036 -11.325 6.465 1.00 0.00 C ATOM 1272 CD LYS A 84 4.057 -10.760 7.496 1.00 0.00 C ATOM 1273 CE LYS A 84 4.803 -10.167 8.693 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.854 -9.813 9.772 1.00 0.00 N ATOM 0 H LYS A 84 4.854 -11.015 3.003 1.00 0.00 H new ATOM 0 HA LYS A 84 3.210 -12.446 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.707 -12.998 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.097 -12.990 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.878 -11.792 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.440 -10.514 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.438 -9.992 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.386 -11.549 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.534 -10.885 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.356 -9.281 8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.377 -9.412 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.172 -9.112 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.345 -10.666 10.080 1.00 0.00 H new ATOM 1288 N LEU A 85 1.614 -10.213 4.156 1.00 0.00 N ATOM 1289 CA LEU A 85 0.386 -9.528 4.525 1.00 0.00 C ATOM 1290 C LEU A 85 -0.749 -10.548 4.630 1.00 0.00 C ATOM 1291 O LEU A 85 -0.738 -11.568 3.942 1.00 0.00 O ATOM 1292 CB LEU A 85 0.097 -8.383 3.552 1.00 0.00 C ATOM 1293 CG LEU A 85 0.080 -6.978 4.156 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.191 -6.814 5.195 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.156 -5.910 3.063 1.00 0.00 C ATOM 0 H LEU A 85 1.937 -10.027 3.207 1.00 0.00 H new ATOM 0 HA LEU A 85 0.489 -9.063 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.846 -8.408 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.869 -8.567 3.082 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.869 -6.841 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.156 -5.806 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.050 -7.540 5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.159 -6.979 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.142 -4.920 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.078 -6.035 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.698 -6.013 2.394 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.729 -10.229 5.518 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.869 -11.106 5.721 1.00 0.00 C ATOM 1309 C PRO A 86 -3.851 -11.009 4.551 1.00 0.00 C ATOM 1310 O PRO A 86 -4.189 -9.912 4.109 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.475 -10.663 7.043 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.938 -9.264 7.300 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.776 -9.029 6.349 1.00 0.00 C ATOM 0 HA PRO A 86 -2.589 -12.159 5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.564 -10.660 6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.195 -11.343 7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.719 -8.520 7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.610 -9.165 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.933 -8.135 5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.842 -8.887 6.892 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.280 -12.171 4.083 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.216 -12.231 2.973 1.00 0.00 C ATOM 1323 C PHE A 87 -6.629 -11.861 3.427 1.00 0.00 C ATOM 1324 O PHE A 87 -6.863 -11.625 4.611 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.217 -13.675 2.466 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.873 -14.136 1.898 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.081 -13.257 1.227 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.471 -15.424 2.064 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.834 -13.685 0.700 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.224 -15.852 1.537 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.432 -14.974 0.866 1.00 0.00 C ATOM 0 H PHE A 87 -3.997 -13.079 4.452 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.917 -11.527 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.500 -14.337 3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.980 -13.778 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.401 -12.234 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.100 -16.122 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.205 -12.987 0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.905 -16.875 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.484 -15.300 0.465 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.536 -11.823 2.461 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.920 -11.486 2.746 1.00 0.00 C ATOM 1343 C GLY A 88 -9.008 -10.334 3.749 1.00 0.00 C ATOM 1344 O GLY A 88 -9.899 -10.311 4.597 1.00 0.00 O ATOM 0 H GLY A 88 -7.339 -12.020 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.428 -11.209 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.436 -12.360 3.144 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.072 -9.406 3.619 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.033 -8.253 4.503 1.00 0.00 C ATOM 1350 C LYS A 89 -7.976 -6.975 3.665 1.00 0.00 C ATOM 1351 O LYS A 89 -7.953 -7.034 2.436 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.882 -8.384 5.503 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.283 -9.265 6.688 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.548 -8.418 7.935 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.238 -8.042 8.630 1.00 0.00 C ATOM 1356 NZ LYS A 89 -6.426 -6.840 9.474 1.00 0.00 N ATOM 0 H LYS A 89 -7.334 -9.429 2.915 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.942 -8.201 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.011 -8.811 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.592 -7.396 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.176 -9.836 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.492 -9.985 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.089 -7.514 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.185 -8.970 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.893 -8.874 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.465 -7.853 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.528 -6.598 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.734 -6.044 8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.149 -7.033 10.197 1.00 0.00 H new ATOM 1370 N THR A 90 -7.957 -5.848 4.362 1.00 0.00 N ATOM 1371 CA THR A 90 -7.904 -4.557 3.698 1.00 0.00 C ATOM 1372 C THR A 90 -6.809 -3.685 4.314 1.00 0.00 C ATOM 1373 O THR A 90 -6.872 -3.343 5.494 1.00 0.00 O ATOM 1374 CB THR A 90 -9.297 -3.928 3.775 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.092 -4.741 2.916 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.349 -2.542 3.130 1.00 0.00 C ATOM 0 H THR A 90 -7.977 -5.803 5.381 1.00 0.00 H new ATOM 0 HA THR A 90 -7.637 -4.664 2.647 1.00 0.00 H new ATOM 0 HB THR A 90 -9.606 -3.855 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.013 -4.405 2.907 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.359 -2.140 3.212 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.652 -1.877 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.073 -2.620 2.078 1.00 0.00 H new ATOM 1384 N THR A 91 -5.829 -3.349 3.487 1.00 0.00 N ATOM 1385 CA THR A 91 -4.721 -2.522 3.936 1.00 0.00 C ATOM 1386 C THR A 91 -4.860 -1.101 3.388 1.00 0.00 C ATOM 1387 O THR A 91 -5.418 -0.899 2.310 1.00 0.00 O ATOM 1388 CB THR A 91 -3.420 -3.210 3.518 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.258 -4.255 4.474 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.194 -2.319 3.729 1.00 0.00 C ATOM 0 H THR A 91 -5.779 -3.634 2.509 1.00 0.00 H new ATOM 0 HA THR A 91 -4.718 -2.419 5.021 1.00 0.00 H new ATOM 0 HB THR A 91 -3.483 -3.500 2.469 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.438 -4.754 4.277 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.297 -2.854 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.299 -1.410 3.137 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.112 -2.057 4.784 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.343 -0.152 4.155 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.403 1.245 3.760 1.00 0.00 C ATOM 1400 C VAL A 92 -3.005 1.715 3.353 1.00 0.00 C ATOM 1401 O VAL A 92 -2.032 1.470 4.065 1.00 0.00 O ATOM 1402 CB VAL A 92 -5.011 2.082 4.887 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -5.007 3.570 4.528 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.425 1.603 5.224 1.00 0.00 C ATOM 0 H VAL A 92 -3.881 -0.323 5.048 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.053 1.370 2.894 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.392 1.950 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.444 4.143 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.982 3.901 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.592 3.727 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.834 2.215 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.059 1.692 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.390 0.561 5.542 1.00 0.00 H new ATOM 1414 N MET A 93 -2.949 2.383 2.210 1.00 0.00 N ATOM 1415 CA MET A 93 -1.686 2.890 1.700 1.00 0.00 C ATOM 1416 C MET A 93 -1.895 4.177 0.901 1.00 0.00 C ATOM 1417 O MET A 93 -2.934 4.358 0.268 1.00 0.00 O ATOM 1418 CB MET A 93 -1.035 1.833 0.806 1.00 0.00 C ATOM 1419 CG MET A 93 -0.338 0.759 1.643 1.00 0.00 C ATOM 1420 SD MET A 93 0.139 -0.611 0.604 1.00 0.00 S ATOM 1421 CE MET A 93 0.980 -1.632 1.804 1.00 0.00 C ATOM 0 H MET A 93 -3.758 2.585 1.622 1.00 0.00 H new ATOM 0 HA MET A 93 -1.036 3.112 2.547 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.792 1.371 0.173 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.312 2.308 0.143 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.542 1.180 2.130 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.005 0.412 2.433 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.062 -2.650 1.422 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.977 -1.232 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.415 -1.638 2.736 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.890 5.039 0.956 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.951 6.305 0.245 1.00 0.00 C ATOM 1433 C HIS A 94 -0.038 6.249 -0.982 1.00 0.00 C ATOM 1434 O HIS A 94 0.900 5.454 -1.026 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.617 7.470 1.179 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.700 7.780 2.185 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.263 6.815 3.001 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.315 8.956 2.497 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.176 7.396 3.766 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.207 8.723 3.452 1.00 0.00 N ATOM 0 H HIS A 94 -0.029 4.886 1.482 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.967 6.479 -0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.306 7.242 1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.427 8.360 0.579 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.111 9.915 2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.788 6.905 4.508 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.815 9.421 3.880 1.00 0.00 H new ATOM 1448 N LEU A 95 -0.344 7.102 -1.948 1.00 0.00 N ATOM 1449 CA LEU A 95 0.437 7.160 -3.171 1.00 0.00 C ATOM 1450 C LEU A 95 0.841 8.610 -3.446 1.00 0.00 C ATOM 1451 O LEU A 95 0.124 9.538 -3.078 1.00 0.00 O ATOM 1452 CB LEU A 95 -0.326 6.506 -4.325 1.00 0.00 C ATOM 1453 CG LEU A 95 0.531 5.900 -5.439 1.00 0.00 C ATOM 1454 CD1 LEU A 95 -0.303 4.985 -6.337 1.00 0.00 C ATOM 1455 CD2 LEU A 95 1.243 6.994 -6.238 1.00 0.00 C ATOM 0 H LEU A 95 -1.123 7.759 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 95 1.358 6.587 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.962 5.721 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.986 7.252 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 95 1.302 5.282 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.330 4.568 -7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.724 4.175 -5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.111 5.559 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.845 6.537 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.503 7.657 -6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.888 7.568 -5.573 1.00 0.00 H new ATOM 1467 N VAL A 96 1.990 8.758 -4.090 1.00 0.00 N ATOM 1468 CA VAL A 96 2.498 10.079 -4.417 1.00 0.00 C ATOM 1469 C VAL A 96 3.310 10.002 -5.712 1.00 0.00 C ATOM 1470 O VAL A 96 3.647 8.913 -6.173 1.00 0.00 O ATOM 1471 CB VAL A 96 3.301 10.638 -3.241 1.00 0.00 C ATOM 1472 CG1 VAL A 96 2.424 10.775 -1.994 1.00 0.00 C ATOM 1473 CG2 VAL A 96 4.529 9.771 -2.954 1.00 0.00 C ATOM 0 H VAL A 96 2.583 7.985 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 96 1.675 10.772 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 96 3.650 11.633 -3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.019 11.174 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.596 11.451 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.032 9.797 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.082 10.190 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.210 8.758 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.171 9.746 -3.835 1.00 0.00 H new ATOM 1483 N ALA A 97 3.601 11.172 -6.261 1.00 0.00 N ATOM 1484 CA ALA A 97 4.367 11.250 -7.493 1.00 0.00 C ATOM 1485 C ALA A 97 5.536 12.219 -7.302 1.00 0.00 C ATOM 1486 O ALA A 97 5.369 13.293 -6.727 1.00 0.00 O ATOM 1487 CB ALA A 97 3.446 11.669 -8.642 1.00 0.00 C ATOM 0 H ALA A 97 3.320 12.074 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 97 4.784 10.275 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.021 11.728 -9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.649 10.934 -8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.011 12.644 -8.423 1.00 0.00 H new ATOM 1493 N ARG A 98 6.694 11.803 -7.794 1.00 0.00 N ATOM 1494 CA ARG A 98 7.890 12.620 -7.684 1.00 0.00 C ATOM 1495 C ARG A 98 9.139 11.765 -7.906 1.00 0.00 C ATOM 1496 O ARG A 98 9.126 10.562 -7.650 1.00 0.00 O ATOM 1497 CB ARG A 98 7.976 13.289 -6.310 1.00 0.00 C ATOM 1498 CG ARG A 98 7.695 14.790 -6.413 1.00 0.00 C ATOM 1499 CD ARG A 98 8.947 15.553 -6.849 1.00 0.00 C ATOM 1500 NE ARG A 98 9.255 16.621 -5.872 1.00 0.00 N ATOM 1501 CZ ARG A 98 8.695 17.838 -5.887 1.00 0.00 C ATOM 1502 NH1 ARG A 98 7.794 18.149 -6.829 1.00 0.00 N ATOM 1503 NH2 ARG A 98 9.035 18.744 -4.960 1.00 0.00 N ATOM 0 H ARG A 98 6.829 10.911 -8.270 1.00 0.00 H new ATOM 0 HA ARG A 98 7.834 13.394 -8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.259 12.827 -5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.967 13.129 -5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.891 14.965 -7.128 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.352 15.167 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.791 14.868 -6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.793 15.986 -7.837 1.00 0.00 H new ATOM 0 HE ARG A 98 9.937 16.418 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.535 17.459 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.367 19.075 -6.841 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.720 18.507 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.608 19.670 -4.972 1.00 0.00 H new ATOM 1517 N GLU A 99 10.189 12.420 -8.380 1.00 0.00 N ATOM 1518 CA GLU A 99 11.444 11.735 -8.639 1.00 0.00 C ATOM 1519 C GLU A 99 12.150 11.403 -7.323 1.00 0.00 C ATOM 1520 O GLU A 99 13.096 10.617 -7.302 1.00 0.00 O ATOM 1521 CB GLU A 99 12.346 12.569 -9.550 1.00 0.00 C ATOM 1522 CG GLU A 99 13.415 11.697 -10.211 1.00 0.00 C ATOM 1523 CD GLU A 99 13.209 11.630 -11.726 1.00 0.00 C ATOM 1524 OE1 GLU A 99 12.029 11.587 -12.136 1.00 0.00 O ATOM 1525 OE2 GLU A 99 14.236 11.622 -12.438 1.00 0.00 O ATOM 0 H GLU A 99 10.196 13.418 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 99 11.225 10.801 -9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.744 13.056 -10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.823 13.359 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 99 14.404 12.100 -9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.380 10.692 -9.791 1.00 0.00 H new ATOM 1532 N THR A 100 11.663 12.020 -6.256 1.00 0.00 N ATOM 1533 CA THR A 100 12.235 11.800 -4.938 1.00 0.00 C ATOM 1534 C THR A 100 13.728 12.133 -4.944 1.00 0.00 C ATOM 1535 O THR A 100 14.350 12.197 -6.003 1.00 0.00 O ATOM 1536 CB THR A 100 11.936 10.357 -4.527 1.00 0.00 C ATOM 1537 OG1 THR A 100 13.121 9.645 -4.873 1.00 0.00 O ATOM 1538 CG2 THR A 100 10.850 9.715 -5.393 1.00 0.00 C ATOM 0 H THR A 100 10.879 12.672 -6.277 1.00 0.00 H new ATOM 0 HA THR A 100 11.788 12.463 -4.197 1.00 0.00 H new ATOM 0 HB THR A 100 11.628 10.334 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.288 9.736 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.676 8.692 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.927 10.288 -5.303 1.00 0.00 H new ATOM 0 HG23 THR A 100 11.172 9.707 -6.434 1.00 0.00 H new ATOM 1546 N LEU A 101 14.261 12.337 -3.747 1.00 0.00 N ATOM 1547 CA LEU A 101 15.669 12.662 -3.601 1.00 0.00 C ATOM 1548 C LEU A 101 16.438 11.405 -3.187 1.00 0.00 C ATOM 1549 O LEU A 101 15.867 10.492 -2.592 1.00 0.00 O ATOM 1550 CB LEU A 101 15.850 13.838 -2.639 1.00 0.00 C ATOM 1551 CG LEU A 101 15.288 13.645 -1.229 1.00 0.00 C ATOM 1552 CD1 LEU A 101 15.878 12.397 -0.570 1.00 0.00 C ATOM 1553 CD2 LEU A 101 15.500 14.898 -0.378 1.00 0.00 C ATOM 0 H LEU A 101 13.742 12.283 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 101 16.085 12.992 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.915 14.054 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.379 14.717 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 101 14.212 13.489 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.462 12.283 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 101 15.632 11.519 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.961 12.498 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.091 14.734 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 101 16.566 15.111 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.993 15.744 -0.843 1.00 0.00 H new ATOM 1565 N PRO A 102 17.755 11.399 -3.527 1.00 0.00 N ATOM 1566 CA PRO A 102 18.607 10.270 -3.197 1.00 0.00 C ATOM 1567 C PRO A 102 18.956 10.263 -1.707 1.00 0.00 C ATOM 1568 O PRO A 102 19.335 11.291 -1.150 1.00 0.00 O ATOM 1569 CB PRO A 102 19.826 10.422 -4.092 1.00 0.00 C ATOM 1570 CG PRO A 102 19.828 11.871 -4.551 1.00 0.00 C ATOM 1571 CD PRO A 102 18.464 12.463 -4.232 1.00 0.00 C ATOM 0 HA PRO A 102 18.120 9.311 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 102 20.741 10.183 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 102 19.773 9.743 -4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 102 20.615 12.431 -4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 102 20.030 11.932 -5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 102 18.555 13.356 -3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 102 17.937 12.756 -5.140 1.00 0.00 H new ATOM 1579 N GLU A 103 18.815 9.091 -1.105 1.00 0.00 N ATOM 1580 CA GLU A 103 19.111 8.937 0.309 1.00 0.00 C ATOM 1581 C GLU A 103 20.624 8.886 0.533 1.00 0.00 C ATOM 1582 O GLU A 103 21.374 8.490 -0.358 1.00 0.00 O ATOM 1583 CB GLU A 103 18.431 7.690 0.879 1.00 0.00 C ATOM 1584 CG GLU A 103 19.072 6.415 0.326 1.00 0.00 C ATOM 1585 CD GLU A 103 18.029 5.531 -0.362 1.00 0.00 C ATOM 1586 OE1 GLU A 103 17.807 5.753 -1.572 1.00 0.00 O ATOM 1587 OE2 GLU A 103 17.478 4.655 0.338 1.00 0.00 O ATOM 0 H GLU A 103 18.500 8.240 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 103 18.714 9.803 0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 103 18.505 7.696 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 103 17.370 7.705 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 103 19.857 6.677 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 103 19.546 5.861 1.136 1.00 0.00 H new ATOM 1594 N PRO A 104 21.038 9.305 1.759 1.00 0.00 N ATOM 1595 CA PRO A 104 22.448 9.312 2.111 1.00 0.00 C ATOM 1596 C PRO A 104 22.950 7.893 2.387 1.00 0.00 C ATOM 1597 O PRO A 104 23.573 7.641 3.418 1.00 0.00 O ATOM 1598 CB PRO A 104 22.546 10.224 3.323 1.00 0.00 C ATOM 1599 CG PRO A 104 21.138 10.323 3.886 1.00 0.00 C ATOM 1600 CD PRO A 104 20.178 9.782 2.838 1.00 0.00 C ATOM 0 HA PRO A 104 23.082 9.677 1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 104 23.235 9.817 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 104 22.924 11.207 3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 104 21.055 9.752 4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 104 20.895 11.358 4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.565 8.976 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.496 10.557 2.488 1.00 0.00 H new ATOM 1608 N ASN A 105 22.661 7.004 1.449 1.00 0.00 N ATOM 1609 CA ASN A 105 23.076 5.618 1.578 1.00 0.00 C ATOM 1610 C ASN A 105 23.482 5.081 0.204 1.00 0.00 C ATOM 1611 O ASN A 105 22.686 5.097 -0.733 1.00 0.00 O ATOM 1612 CB ASN A 105 21.934 4.748 2.107 1.00 0.00 C ATOM 1613 CG ASN A 105 22.362 3.985 3.362 1.00 0.00 C ATOM 1614 OD1 ASN A 105 23.519 3.648 3.551 1.00 0.00 O ATOM 1615 ND2 ASN A 105 21.366 3.731 4.207 1.00 0.00 N ATOM 0 H ASN A 105 22.144 7.217 0.596 1.00 0.00 H new ATOM 0 HA ASN A 105 23.912 5.580 2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 105 21.071 5.374 2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 105 21.623 4.043 1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.549 3.226 5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.419 4.042 3.988 1.00 0.00 H new ATOM 1622 N SER A 106 24.721 4.617 0.128 1.00 0.00 N ATOM 1623 CA SER A 106 25.243 4.077 -1.116 1.00 0.00 C ATOM 1624 C SER A 106 26.544 3.318 -0.852 1.00 0.00 C ATOM 1625 O SER A 106 27.605 3.926 -0.714 1.00 0.00 O ATOM 1626 CB SER A 106 25.474 5.185 -2.145 1.00 0.00 C ATOM 1627 OG SER A 106 25.339 4.710 -3.481 1.00 0.00 O ATOM 0 H SER A 106 25.378 4.604 0.908 1.00 0.00 H new ATOM 0 HA SER A 106 24.504 3.388 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 106 24.762 5.993 -1.974 1.00 0.00 H new ATOM 0 HB3 SER A 106 26.471 5.604 -2.008 1.00 0.00 H new ATOM 0 HG SER A 106 25.492 5.448 -4.108 1.00 0.00 H new ATOM 1633 N GLN A 107 26.422 2.000 -0.789 1.00 0.00 N ATOM 1634 CA GLN A 107 27.575 1.152 -0.544 1.00 0.00 C ATOM 1635 C GLN A 107 28.087 1.351 0.884 1.00 0.00 C ATOM 1636 O GLN A 107 28.289 2.482 1.323 1.00 0.00 O ATOM 1637 CB GLN A 107 28.682 1.422 -1.565 1.00 0.00 C ATOM 1638 CG GLN A 107 28.782 0.282 -2.581 1.00 0.00 C ATOM 1639 CD GLN A 107 30.178 0.222 -3.203 1.00 0.00 C ATOM 1640 OE1 GLN A 107 30.444 0.788 -4.250 1.00 0.00 O ATOM 1641 NE2 GLN A 107 31.053 -0.492 -2.501 1.00 0.00 N ATOM 0 H GLN A 107 25.541 1.499 -0.904 1.00 0.00 H new ATOM 0 HA GLN A 107 27.267 0.113 -0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 107 28.482 2.360 -2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 107 29.636 1.540 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 107 28.557 -0.666 -2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 107 28.037 0.422 -3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 107 30.764 -0.941 -1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 107 32.013 -0.591 -2.832 1.00 0.00 H new ATOM 1650 N GLY A 108 28.281 0.234 1.570 1.00 0.00 N ATOM 1651 CA GLY A 108 28.765 0.272 2.940 1.00 0.00 C ATOM 1652 C GLY A 108 28.280 -0.947 3.727 1.00 0.00 C ATOM 1653 O GLY A 108 27.415 -1.687 3.261 1.00 0.00 O ATOM 0 H GLY A 108 28.112 -0.703 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 108 29.855 0.302 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 108 28.420 1.184 3.426 1.00 0.00 H new ATOM 1657 N GLN A 109 28.858 -1.119 4.906 1.00 0.00 N ATOM 1658 CA GLN A 109 28.496 -2.236 5.762 1.00 0.00 C ATOM 1659 C GLN A 109 28.589 -1.829 7.234 1.00 0.00 C ATOM 1660 O GLN A 109 29.533 -1.150 7.635 1.00 0.00 O ATOM 1661 CB GLN A 109 29.374 -3.455 5.474 1.00 0.00 C ATOM 1662 CG GLN A 109 30.830 -3.185 5.856 1.00 0.00 C ATOM 1663 CD GLN A 109 31.769 -3.485 4.685 1.00 0.00 C ATOM 1664 OE1 GLN A 109 31.657 -4.495 4.010 1.00 0.00 O ATOM 1665 NE2 GLN A 109 32.698 -2.555 4.485 1.00 0.00 N ATOM 0 H GLN A 109 29.575 -0.503 5.289 1.00 0.00 H new ATOM 0 HA GLN A 109 27.464 -2.514 5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 109 29.002 -4.315 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 109 29.313 -3.709 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 109 30.943 -2.144 6.160 1.00 0.00 H new ATOM 0 HG3 GLN A 109 31.105 -3.799 6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 109 32.735 -1.733 5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 109 33.374 -2.663 3.729 1.00 0.00 H new ATOM 1674 N ARG A 110 27.597 -2.260 7.999 1.00 0.00 N ATOM 1675 CA ARG A 110 27.555 -1.949 9.417 1.00 0.00 C ATOM 1676 C ARG A 110 27.808 -3.211 10.245 1.00 0.00 C ATOM 1677 O ARG A 110 27.456 -4.313 9.827 1.00 0.00 O ATOM 1678 CB ARG A 110 26.203 -1.352 9.811 1.00 0.00 C ATOM 1679 CG ARG A 110 26.328 -0.493 11.070 1.00 0.00 C ATOM 1680 CD ARG A 110 25.061 -0.582 11.924 1.00 0.00 C ATOM 1681 NE ARG A 110 24.460 0.762 12.079 1.00 0.00 N ATOM 1682 CZ ARG A 110 25.019 1.758 12.780 1.00 0.00 C ATOM 1683 NH1 ARG A 110 26.194 1.568 13.394 1.00 0.00 N ATOM 1684 NH2 ARG A 110 24.401 2.944 12.866 1.00 0.00 N ATOM 0 H ARG A 110 26.815 -2.823 7.663 1.00 0.00 H new ATOM 0 HA ARG A 110 28.335 -1.215 9.618 1.00 0.00 H new ATOM 0 HB2 ARG A 110 25.816 -0.747 8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 110 25.484 -2.153 9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 110 27.188 -0.821 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 110 26.510 0.545 10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 110 24.345 -1.258 11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 110 25.301 -0.997 12.903 1.00 0.00 H new ATOM 0 HE ARG A 110 23.565 0.941 11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 110 26.664 0.665 13.328 1.00 0.00 H new ATOM 0 HH12 ARG A 110 26.619 2.326 13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 110 23.506 3.088 12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 110 24.826 3.703 13.399 1.00 0.00 H new ATOM 1698 N SER A 111 28.416 -3.008 11.404 1.00 0.00 N ATOM 1699 CA SER A 111 28.720 -4.115 12.294 1.00 0.00 C ATOM 1700 C SER A 111 29.307 -3.587 13.605 1.00 0.00 C ATOM 1701 O SER A 111 29.984 -2.561 13.617 1.00 0.00 O ATOM 1702 CB SER A 111 29.689 -5.100 11.637 1.00 0.00 C ATOM 1703 OG SER A 111 29.295 -6.454 11.842 1.00 0.00 O ATOM 0 H SER A 111 28.707 -2.093 11.748 1.00 0.00 H new ATOM 0 HA SER A 111 27.793 -4.647 12.507 1.00 0.00 H new ATOM 0 HB2 SER A 111 29.743 -4.896 10.568 1.00 0.00 H new ATOM 0 HB3 SER A 111 30.690 -4.948 12.042 1.00 0.00 H new ATOM 0 HG SER A 111 29.938 -7.051 11.406 1.00 0.00 H new ATOM 1709 N GLY A 112 29.026 -4.314 14.677 1.00 0.00 N ATOM 1710 CA GLY A 112 29.518 -3.931 15.990 1.00 0.00 C ATOM 1711 C GLY A 112 28.714 -4.615 17.097 1.00 0.00 C ATOM 1712 O GLY A 112 27.746 -4.051 17.605 1.00 0.00 O ATOM 0 H GLY A 112 28.464 -5.165 14.663 1.00 0.00 H new ATOM 0 HA2 GLY A 112 30.570 -4.200 16.081 1.00 0.00 H new ATOM 0 HA3 GLY A 112 29.454 -2.849 16.105 1.00 0.00 H new ATOM 1716 N PRO A 113 29.155 -5.853 17.448 1.00 0.00 N ATOM 1717 CA PRO A 113 28.487 -6.619 18.485 1.00 0.00 C ATOM 1718 C PRO A 113 28.820 -6.069 19.874 1.00 0.00 C ATOM 1719 O PRO A 113 29.627 -5.151 20.004 1.00 0.00 O ATOM 1720 CB PRO A 113 28.960 -8.050 18.284 1.00 0.00 C ATOM 1721 CG PRO A 113 30.223 -7.957 17.445 1.00 0.00 C ATOM 1722 CD PRO A 113 30.297 -6.553 16.867 1.00 0.00 C ATOM 0 HA PRO A 113 27.401 -6.559 18.418 1.00 0.00 H new ATOM 0 HB2 PRO A 113 29.161 -8.533 19.240 1.00 0.00 H new ATOM 0 HB3 PRO A 113 28.199 -8.646 17.780 1.00 0.00 H new ATOM 0 HG2 PRO A 113 31.102 -8.166 18.055 1.00 0.00 H new ATOM 0 HG3 PRO A 113 30.206 -8.698 16.646 1.00 0.00 H new ATOM 0 HD2 PRO A 113 31.236 -6.065 17.130 1.00 0.00 H new ATOM 0 HD3 PRO A 113 30.240 -6.569 15.779 1.00 0.00 H new ATOM 1730 N SER A 114 28.181 -6.655 20.876 1.00 0.00 N ATOM 1731 CA SER A 114 28.399 -6.235 22.250 1.00 0.00 C ATOM 1732 C SER A 114 27.549 -7.083 23.198 1.00 0.00 C ATOM 1733 O SER A 114 26.560 -7.683 22.781 1.00 0.00 O ATOM 1734 CB SER A 114 28.076 -4.751 22.430 1.00 0.00 C ATOM 1735 OG SER A 114 26.789 -4.419 21.916 1.00 0.00 O ATOM 0 H SER A 114 27.512 -7.417 20.764 1.00 0.00 H new ATOM 0 HA SER A 114 29.452 -6.381 22.489 1.00 0.00 H new ATOM 0 HB2 SER A 114 28.120 -4.496 23.489 1.00 0.00 H new ATOM 0 HB3 SER A 114 28.834 -4.151 21.926 1.00 0.00 H new ATOM 0 HG SER A 114 26.619 -3.463 22.051 1.00 0.00 H new ATOM 1741 N SER A 115 27.965 -7.105 24.455 1.00 0.00 N ATOM 1742 CA SER A 115 27.254 -7.869 25.466 1.00 0.00 C ATOM 1743 C SER A 115 27.917 -7.677 26.831 1.00 0.00 C ATOM 1744 O SER A 115 27.278 -7.216 27.776 1.00 0.00 O ATOM 1745 CB SER A 115 27.209 -9.355 25.103 1.00 0.00 C ATOM 1746 OG SER A 115 26.472 -10.116 26.056 1.00 0.00 O ATOM 0 H SER A 115 28.786 -6.606 24.797 1.00 0.00 H new ATOM 0 HA SER A 115 26.229 -7.502 25.513 1.00 0.00 H new ATOM 0 HB2 SER A 115 26.758 -9.474 24.118 1.00 0.00 H new ATOM 0 HB3 SER A 115 28.226 -9.743 25.037 1.00 0.00 H new ATOM 0 HG SER A 115 26.465 -11.058 25.787 1.00 0.00 H new ATOM 1752 N GLY A 116 29.190 -8.039 26.892 1.00 0.00 N ATOM 1753 CA GLY A 116 29.946 -7.911 28.125 1.00 0.00 C ATOM 1754 C GLY A 116 31.097 -8.919 28.170 1.00 0.00 C ATOM 1755 O GLY A 116 30.903 -10.072 28.551 1.00 0.00 O ATOM 0 H GLY A 116 29.717 -8.421 26.107 1.00 0.00 H new ATOM 0 HA2 GLY A 116 30.341 -6.899 28.210 1.00 0.00 H new ATOM 0 HA3 GLY A 116 29.286 -8.069 28.978 1.00 0.00 H new TER 1759 GLY A 116