USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 709 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 79 HIS : no HE2:sc= -0.257 X(o=-1.3,f=-1.5) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= -1.02 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -1.98! X(o=-2!,f=-1.7) USER MOD Set 3.1: A 33 MET CE :methyl 141:sc= -5.25 (180deg=0) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -4.24 K(o=-9.5,f=-12!) USER MOD Set 4.1: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 58 CYS SG : rot 36:sc= 0.0205 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0367 (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 17:sc= 0.475 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 23:sc= 0.242 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -140:sc= 0.109 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.118 USER MOD Single : A 36 HIS : no HD1:sc= -0.0529 X(o=-0.053,f=-0.053) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -4.17! C(o=-4.2!,f=-5!) USER MOD Single : A 56 SER OG : rot 60:sc= 0.624 USER MOD Single : A 64 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.37) USER MOD Single : A 66 MET CE :methyl 139:sc= -0.778 (180deg=-2.06!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc=-0.000299 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.24 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.503 8.340 7.221 1.00 0.00 N ATOM 2 CA GLY A 1 -13.788 9.035 5.979 1.00 0.00 C ATOM 3 C GLY A 1 -14.591 8.188 5.011 1.00 0.00 C ATOM 4 O GLY A 1 -15.297 7.266 5.421 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.633 8.992 8.021 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.150 7.532 7.323 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.521 7.997 7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.337 9.951 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.850 9.329 5.508 1.00 0.00 H new ATOM 8 N SER A 2 -14.485 8.502 3.724 1.00 0.00 N ATOM 9 CA SER A 2 -15.212 7.766 2.696 1.00 0.00 C ATOM 10 C SER A 2 -14.290 7.399 1.537 1.00 0.00 C ATOM 11 O SER A 2 -13.170 7.901 1.437 1.00 0.00 O ATOM 12 CB SER A 2 -16.390 8.595 2.182 1.00 0.00 C ATOM 13 OG SER A 2 -15.944 9.807 1.597 1.00 0.00 O ATOM 0 H SER A 2 -13.903 9.261 3.368 1.00 0.00 H new ATOM 0 HA SER A 2 -15.591 6.846 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.952 8.018 1.447 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.071 8.813 3.004 1.00 0.00 H new ATOM 0 HG SER A 2 -16.716 10.318 1.275 1.00 0.00 H new ATOM 19 N SER A 3 -14.769 6.519 0.664 1.00 0.00 N ATOM 20 CA SER A 3 -13.988 6.080 -0.487 1.00 0.00 C ATOM 21 C SER A 3 -13.422 7.276 -1.247 1.00 0.00 C ATOM 22 O SER A 3 -13.973 8.375 -1.197 1.00 0.00 O ATOM 23 CB SER A 3 -14.850 5.229 -1.421 1.00 0.00 C ATOM 24 OG SER A 3 -15.167 3.982 -0.827 1.00 0.00 O ATOM 0 H SER A 3 -15.695 6.096 0.732 1.00 0.00 H new ATOM 0 HA SER A 3 -13.157 5.477 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.768 5.764 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.321 5.064 -2.360 1.00 0.00 H new ATOM 0 HG SER A 3 -15.720 3.457 -1.443 1.00 0.00 H new ATOM 30 N GLY A 4 -12.317 7.052 -1.952 1.00 0.00 N ATOM 31 CA GLY A 4 -11.694 8.119 -2.713 1.00 0.00 C ATOM 32 C GLY A 4 -10.192 7.950 -2.826 1.00 0.00 C ATOM 33 O GLY A 4 -9.442 8.415 -1.968 1.00 0.00 O ATOM 0 H GLY A 4 -11.842 6.151 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.129 8.151 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.914 9.076 -2.239 1.00 0.00 H new ATOM 37 N SER A 5 -9.751 7.280 -3.886 1.00 0.00 N ATOM 38 CA SER A 5 -8.329 7.046 -4.105 1.00 0.00 C ATOM 39 C SER A 5 -8.027 6.882 -5.592 1.00 0.00 C ATOM 40 O SER A 5 -8.938 6.802 -6.416 1.00 0.00 O ATOM 41 CB SER A 5 -7.872 5.802 -3.341 1.00 0.00 C ATOM 42 OG SER A 5 -7.670 6.092 -1.968 1.00 0.00 O ATOM 0 H SER A 5 -10.358 6.890 -4.607 1.00 0.00 H new ATOM 0 HA SER A 5 -7.783 7.913 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.618 5.014 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.947 5.424 -3.776 1.00 0.00 H new ATOM 0 HG SER A 5 -8.116 6.935 -1.743 1.00 0.00 H new ATOM 48 N SER A 6 -6.742 6.834 -5.927 1.00 0.00 N ATOM 49 CA SER A 6 -6.319 6.684 -7.314 1.00 0.00 C ATOM 50 C SER A 6 -6.037 5.221 -7.641 1.00 0.00 C ATOM 51 O SER A 6 -4.897 4.766 -7.571 1.00 0.00 O ATOM 52 CB SER A 6 -5.071 7.528 -7.583 1.00 0.00 C ATOM 53 OG SER A 6 -5.421 8.843 -7.979 1.00 0.00 O ATOM 0 H SER A 6 -5.976 6.897 -5.257 1.00 0.00 H new ATOM 0 HA SER A 6 -7.129 7.032 -7.955 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.454 7.567 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.471 7.058 -8.362 1.00 0.00 H new ATOM 0 HG SER A 6 -4.607 9.363 -8.143 1.00 0.00 H new ATOM 59 N GLY A 7 -7.088 4.488 -7.999 1.00 0.00 N ATOM 60 CA GLY A 7 -6.934 3.084 -8.332 1.00 0.00 C ATOM 61 C GLY A 7 -6.871 2.846 -9.827 1.00 0.00 C ATOM 62 O GLY A 7 -5.797 2.904 -10.427 1.00 0.00 O ATOM 0 H GLY A 7 -8.042 4.842 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.025 2.701 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.768 2.521 -7.912 1.00 0.00 H new ATOM 66 N ARG A 8 -8.023 2.575 -10.431 1.00 0.00 N ATOM 67 CA ARG A 8 -8.094 2.324 -11.865 1.00 0.00 C ATOM 68 C ARG A 8 -7.121 1.222 -12.273 1.00 0.00 C ATOM 69 O ARG A 8 -6.510 1.283 -13.340 1.00 0.00 O ATOM 70 CB ARG A 8 -7.788 3.604 -12.644 1.00 0.00 C ATOM 71 CG ARG A 8 -8.987 4.525 -12.799 1.00 0.00 C ATOM 72 CD ARG A 8 -9.093 5.502 -11.638 1.00 0.00 C ATOM 73 NE ARG A 8 -10.407 6.136 -11.574 1.00 0.00 N ATOM 74 CZ ARG A 8 -11.486 5.540 -11.078 1.00 0.00 C ATOM 75 NH1 ARG A 8 -11.407 4.304 -10.606 1.00 0.00 N ATOM 76 NH2 ARG A 8 -12.647 6.183 -11.054 1.00 0.00 N ATOM 0 H ARG A 8 -8.921 2.524 -9.949 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.106 1.996 -12.101 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.988 4.145 -12.138 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.416 3.337 -13.633 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.904 5.078 -13.735 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.898 3.930 -12.860 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.898 4.976 -10.703 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.325 6.269 -11.738 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.502 7.087 -11.929 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.516 3.808 -10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.237 3.849 -10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.711 7.134 -11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.475 5.726 -10.673 1.00 0.00 H new ATOM 90 N ALA A 9 -6.981 0.216 -11.416 1.00 0.00 N ATOM 91 CA ALA A 9 -6.083 -0.900 -11.688 1.00 0.00 C ATOM 92 C ALA A 9 -6.790 -2.236 -11.483 1.00 0.00 C ATOM 93 O ALA A 9 -7.588 -2.408 -10.562 1.00 0.00 O ATOM 94 CB ALA A 9 -4.849 -0.812 -10.802 1.00 0.00 C ATOM 0 H ALA A 9 -7.478 0.151 -10.528 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.773 -0.839 -12.731 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.187 -1.651 -11.016 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.325 0.123 -11.000 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.150 -0.844 -9.755 1.00 0.00 H new ATOM 100 N PRO A 10 -6.492 -3.205 -12.362 1.00 0.00 N ATOM 101 CA PRO A 10 -7.088 -4.542 -12.298 1.00 0.00 C ATOM 102 C PRO A 10 -6.591 -5.342 -11.098 1.00 0.00 C ATOM 103 O PRO A 10 -7.028 -6.469 -10.868 1.00 0.00 O ATOM 104 CB PRO A 10 -6.631 -5.197 -13.604 1.00 0.00 C ATOM 105 CG PRO A 10 -5.375 -4.483 -13.966 1.00 0.00 C ATOM 106 CD PRO A 10 -5.549 -3.069 -13.485 1.00 0.00 C ATOM 0 HA PRO A 10 -8.171 -4.500 -12.182 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.455 -6.265 -13.471 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.385 -5.093 -14.384 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.510 -4.952 -13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.207 -4.511 -15.043 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.602 -2.634 -13.164 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.947 -2.424 -14.268 1.00 0.00 H new ATOM 114 N SER A 11 -5.676 -4.751 -10.337 1.00 0.00 N ATOM 115 CA SER A 11 -5.117 -5.410 -9.162 1.00 0.00 C ATOM 116 C SER A 11 -4.675 -4.385 -8.123 1.00 0.00 C ATOM 117 O SER A 11 -3.933 -3.452 -8.430 1.00 0.00 O ATOM 118 CB SER A 11 -3.933 -6.292 -9.562 1.00 0.00 C ATOM 119 OG SER A 11 -2.912 -5.526 -10.179 1.00 0.00 O ATOM 0 H SER A 11 -5.306 -3.817 -10.513 1.00 0.00 H new ATOM 0 HA SER A 11 -5.894 -6.035 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.534 -6.792 -8.680 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.270 -7.071 -10.245 1.00 0.00 H new ATOM 0 HG SER A 11 -2.999 -4.588 -9.910 1.00 0.00 H new ATOM 125 N VAL A 12 -5.137 -4.565 -6.889 1.00 0.00 N ATOM 126 CA VAL A 12 -4.790 -3.657 -5.803 1.00 0.00 C ATOM 127 C VAL A 12 -3.454 -4.038 -5.175 1.00 0.00 C ATOM 128 O VAL A 12 -2.759 -3.194 -4.611 1.00 0.00 O ATOM 129 CB VAL A 12 -5.875 -3.650 -4.709 1.00 0.00 C ATOM 130 CG1 VAL A 12 -7.121 -2.928 -5.199 1.00 0.00 C ATOM 131 CG2 VAL A 12 -6.206 -5.070 -4.278 1.00 0.00 C ATOM 0 H VAL A 12 -5.752 -5.332 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.714 -2.660 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.490 -3.113 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.877 -2.933 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.869 -1.899 -5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.512 -3.435 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.974 -5.046 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.572 -5.635 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.310 -5.549 -3.884 1.00 0.00 H new ATOM 141 N ALA A 13 -3.101 -5.315 -5.277 1.00 0.00 N ATOM 142 CA ALA A 13 -1.846 -5.808 -4.721 1.00 0.00 C ATOM 143 C ALA A 13 -1.586 -7.249 -5.146 1.00 0.00 C ATOM 144 O ALA A 13 -2.497 -7.952 -5.586 1.00 0.00 O ATOM 145 CB ALA A 13 -1.862 -5.697 -3.204 1.00 0.00 C ATOM 0 H ALA A 13 -3.666 -6.027 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.037 -5.191 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.919 -6.068 -2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.993 -4.654 -2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.685 -6.289 -2.805 1.00 0.00 H new ATOM 151 N THR A 14 -0.337 -7.684 -5.012 1.00 0.00 N ATOM 152 CA THR A 14 0.043 -9.041 -5.383 1.00 0.00 C ATOM 153 C THR A 14 0.870 -9.701 -4.286 1.00 0.00 C ATOM 154 O THR A 14 1.670 -9.045 -3.618 1.00 0.00 O ATOM 155 CB THR A 14 0.847 -9.060 -6.697 1.00 0.00 C ATOM 156 OG1 THR A 14 0.111 -8.397 -7.731 1.00 0.00 O ATOM 157 CG2 THR A 14 1.155 -10.487 -7.123 1.00 0.00 C ATOM 0 H THR A 14 0.429 -7.116 -4.649 1.00 0.00 H new ATOM 0 HA THR A 14 -0.882 -9.600 -5.523 1.00 0.00 H new ATOM 0 HB THR A 14 1.788 -8.537 -6.528 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.629 -8.412 -8.563 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.723 -10.474 -8.053 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.740 -10.980 -6.347 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.223 -11.031 -7.275 1.00 0.00 H new ATOM 165 N VAL A 15 0.673 -11.003 -4.104 1.00 0.00 N ATOM 166 CA VAL A 15 1.402 -11.752 -3.087 1.00 0.00 C ATOM 167 C VAL A 15 2.847 -11.990 -3.512 1.00 0.00 C ATOM 168 O VAL A 15 3.113 -12.407 -4.638 1.00 0.00 O ATOM 169 CB VAL A 15 0.732 -13.108 -2.801 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.685 -13.958 -4.061 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.462 -13.837 -1.683 1.00 0.00 C ATOM 0 H VAL A 15 0.015 -11.561 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 15 1.388 -11.150 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.293 -12.926 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.208 -14.912 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.114 -13.438 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.699 -14.134 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.975 -14.794 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.498 -14.009 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.437 -13.232 -0.777 1.00 0.00 H new ATOM 181 N GLY A 16 3.778 -11.724 -2.600 1.00 0.00 N ATOM 182 CA GLY A 16 5.185 -11.916 -2.899 1.00 0.00 C ATOM 183 C GLY A 16 5.788 -10.736 -3.635 1.00 0.00 C ATOM 184 O GLY A 16 6.913 -10.328 -3.351 1.00 0.00 O ATOM 0 H GLY A 16 3.583 -11.379 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.732 -12.079 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.306 -12.816 -3.502 1.00 0.00 H new ATOM 188 N SER A 17 5.038 -10.188 -4.585 1.00 0.00 N ATOM 189 CA SER A 17 5.507 -9.051 -5.369 1.00 0.00 C ATOM 190 C SER A 17 5.306 -7.745 -4.606 1.00 0.00 C ATOM 191 O SER A 17 4.333 -7.589 -3.868 1.00 0.00 O ATOM 192 CB SER A 17 4.772 -8.990 -6.709 1.00 0.00 C ATOM 193 OG SER A 17 5.176 -10.049 -7.561 1.00 0.00 O ATOM 0 H SER A 17 4.103 -10.513 -4.831 1.00 0.00 H new ATOM 0 HA SER A 17 6.573 -9.184 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.697 -9.045 -6.540 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.970 -8.034 -7.193 1.00 0.00 H new ATOM 0 HG SER A 17 4.691 -9.989 -8.410 1.00 0.00 H new ATOM 199 N ILE A 18 6.233 -6.812 -4.790 1.00 0.00 N ATOM 200 CA ILE A 18 6.158 -5.519 -4.120 1.00 0.00 C ATOM 201 C ILE A 18 4.865 -4.792 -4.473 1.00 0.00 C ATOM 202 O ILE A 18 4.478 -4.723 -5.640 1.00 0.00 O ATOM 203 CB ILE A 18 7.355 -4.623 -4.490 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.671 -5.361 -4.234 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.308 -3.324 -3.700 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.981 -5.553 -2.766 1.00 0.00 C ATOM 0 H ILE A 18 7.045 -6.926 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 18 6.180 -5.717 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 18 7.296 -4.383 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.631 -6.336 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.486 -4.806 -4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.160 -2.701 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.384 -2.793 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.346 -3.545 -2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.928 -6.083 -2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.053 -4.580 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.186 -6.134 -2.299 1.00 0.00 H new ATOM 218 N CYS A 19 4.203 -4.249 -3.458 1.00 0.00 N ATOM 219 CA CYS A 19 2.953 -3.525 -3.660 1.00 0.00 C ATOM 220 C CYS A 19 3.205 -2.024 -3.768 1.00 0.00 C ATOM 221 O CYS A 19 3.660 -1.391 -2.816 1.00 0.00 O ATOM 222 CB CYS A 19 1.983 -3.809 -2.513 1.00 0.00 C ATOM 223 SG CYS A 19 0.425 -2.898 -2.620 1.00 0.00 S ATOM 0 H CYS A 19 4.511 -4.296 -2.487 1.00 0.00 H new ATOM 0 HA CYS A 19 2.510 -3.870 -4.594 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.766 -4.877 -2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.471 -3.563 -1.570 1.00 0.00 H new ATOM 0 HG CYS A 19 0.078 -2.491 -1.435 1.00 0.00 H new ATOM 229 N ASP A 20 2.908 -1.463 -4.935 1.00 0.00 N ATOM 230 CA ASP A 20 3.103 -0.036 -5.169 1.00 0.00 C ATOM 231 C ASP A 20 1.830 0.744 -4.859 1.00 0.00 C ATOM 232 O ASP A 20 0.739 0.368 -5.290 1.00 0.00 O ATOM 233 CB ASP A 20 3.529 0.211 -6.617 1.00 0.00 C ATOM 234 CG ASP A 20 4.989 -0.119 -6.856 1.00 0.00 C ATOM 235 OD1 ASP A 20 5.429 -1.206 -6.427 1.00 0.00 O ATOM 236 OD2 ASP A 20 5.693 0.711 -7.470 1.00 0.00 O ATOM 0 H ASP A 20 2.532 -1.974 -5.734 1.00 0.00 H new ATOM 0 HA ASP A 20 3.892 0.313 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.910 -0.391 -7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.349 1.255 -6.872 1.00 0.00 H new ATOM 241 N LEU A 21 1.976 1.831 -4.110 1.00 0.00 N ATOM 242 CA LEU A 21 0.837 2.665 -3.741 1.00 0.00 C ATOM 243 C LEU A 21 0.868 3.992 -4.493 1.00 0.00 C ATOM 244 O LEU A 21 1.922 4.607 -4.644 1.00 0.00 O ATOM 245 CB LEU A 21 0.834 2.921 -2.233 1.00 0.00 C ATOM 246 CG LEU A 21 -0.534 3.168 -1.597 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.466 1.995 -1.861 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.391 3.411 -0.102 1.00 0.00 C ATOM 0 H LEU A 21 2.872 2.156 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.075 2.134 -4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.293 2.065 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.468 3.784 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.968 4.059 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.435 2.189 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.594 1.867 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.038 1.087 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.375 3.585 0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.064 2.539 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.240 4.284 0.066 1.00 0.00 H new ATOM 260 N ASN A 22 -0.298 4.428 -4.961 1.00 0.00 N ATOM 261 CA ASN A 22 -0.405 5.683 -5.696 1.00 0.00 C ATOM 262 C ASN A 22 -1.013 6.775 -4.821 1.00 0.00 C ATOM 263 O ASN A 22 -2.228 6.826 -4.627 1.00 0.00 O ATOM 264 CB ASN A 22 -1.253 5.490 -6.954 1.00 0.00 C ATOM 265 CG ASN A 22 -0.503 4.761 -8.052 1.00 0.00 C ATOM 266 OD1 ASN A 22 0.455 5.287 -8.619 1.00 0.00 O ATOM 267 ND2 ASN A 22 -0.936 3.543 -8.356 1.00 0.00 N ATOM 0 H ASN A 22 -1.181 3.931 -4.844 1.00 0.00 H new ATOM 0 HA ASN A 22 0.599 5.992 -5.987 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.153 4.930 -6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.577 6.463 -7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.470 3.004 -9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.734 3.147 -7.860 1.00 0.00 H new ATOM 274 N LEU A 23 -0.160 7.648 -4.297 1.00 0.00 N ATOM 275 CA LEU A 23 -0.612 8.741 -3.443 1.00 0.00 C ATOM 276 C LEU A 23 0.013 10.064 -3.874 1.00 0.00 C ATOM 277 O LEU A 23 1.230 10.165 -4.032 1.00 0.00 O ATOM 278 CB LEU A 23 -0.263 8.451 -1.982 1.00 0.00 C ATOM 279 CG LEU A 23 -1.267 7.594 -1.210 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.713 7.227 0.158 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.595 8.322 -1.071 1.00 0.00 C ATOM 0 H LEU A 23 0.848 7.620 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.694 8.823 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.707 7.954 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.150 9.402 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.437 6.675 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.441 6.617 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.213 6.665 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.514 8.136 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.297 7.697 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.442 9.258 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.999 8.534 -2.061 1.00 0.00 H new ATOM 293 N LYS A 24 -0.826 11.076 -4.062 1.00 0.00 N ATOM 294 CA LYS A 24 -0.357 12.395 -4.471 1.00 0.00 C ATOM 295 C LYS A 24 -0.828 13.467 -3.494 1.00 0.00 C ATOM 296 O LYS A 24 -1.951 13.962 -3.596 1.00 0.00 O ATOM 297 CB LYS A 24 -0.854 12.720 -5.881 1.00 0.00 C ATOM 298 CG LYS A 24 -2.346 12.503 -6.066 1.00 0.00 C ATOM 299 CD LYS A 24 -2.753 12.641 -7.523 1.00 0.00 C ATOM 300 CE LYS A 24 -2.298 11.445 -8.345 1.00 0.00 C ATOM 301 NZ LYS A 24 -2.599 11.621 -9.793 1.00 0.00 N ATOM 0 H LYS A 24 -1.836 11.008 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 24 0.733 12.382 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.615 13.758 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.314 12.102 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.618 11.512 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.897 13.225 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.836 12.740 -7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.323 13.553 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.226 11.299 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.790 10.544 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.274 10.785 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.625 11.735 -9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.109 12.466 -10.149 1.00 0.00 H new ATOM 315 N ILE A 25 0.037 13.823 -2.551 1.00 0.00 N ATOM 316 CA ILE A 25 -0.291 14.839 -1.558 1.00 0.00 C ATOM 317 C ILE A 25 0.837 15.856 -1.420 1.00 0.00 C ATOM 318 O ILE A 25 1.789 15.666 -0.664 1.00 0.00 O ATOM 319 CB ILE A 25 -0.571 14.210 -0.180 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.207 12.829 -0.346 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.471 15.119 0.643 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.348 12.069 0.955 1.00 0.00 C ATOM 0 H ILE A 25 0.970 13.423 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.192 15.343 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 25 0.375 14.092 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.192 12.943 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.604 12.241 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.660 14.661 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.982 16.083 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.416 15.265 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.806 11.099 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.364 11.923 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.976 12.637 1.642 1.00 0.00 H new ATOM 334 N PRO A 26 0.727 16.965 -2.168 1.00 0.00 N ATOM 335 CA PRO A 26 1.727 18.037 -2.145 1.00 0.00 C ATOM 336 C PRO A 26 1.723 18.806 -0.828 1.00 0.00 C ATOM 337 O PRO A 26 2.775 19.046 -0.237 1.00 0.00 O ATOM 338 CB PRO A 26 1.297 18.948 -3.297 1.00 0.00 C ATOM 339 CG PRO A 26 -0.164 18.702 -3.449 1.00 0.00 C ATOM 340 CD PRO A 26 -0.381 17.258 -3.092 1.00 0.00 C ATOM 0 HA PRO A 26 2.741 17.650 -2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.501 19.995 -3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.836 18.709 -4.214 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.740 19.356 -2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.490 18.905 -4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.351 17.102 -2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.350 16.617 -3.973 1.00 0.00 H new ATOM 348 N GLU A 27 0.533 19.188 -0.375 1.00 0.00 N ATOM 349 CA GLU A 27 0.394 19.930 0.872 1.00 0.00 C ATOM 350 C GLU A 27 1.333 19.379 1.941 1.00 0.00 C ATOM 351 O GLU A 27 1.821 20.120 2.795 1.00 0.00 O ATOM 352 CB GLU A 27 -1.052 19.870 1.369 1.00 0.00 C ATOM 353 CG GLU A 27 -1.942 20.954 0.785 1.00 0.00 C ATOM 354 CD GLU A 27 -3.418 20.661 0.971 1.00 0.00 C ATOM 355 OE1 GLU A 27 -3.864 20.580 2.135 1.00 0.00 O ATOM 356 OE2 GLU A 27 -4.128 20.513 -0.045 1.00 0.00 O ATOM 0 H GLU A 27 -0.348 18.996 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 27 0.662 20.969 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.472 18.895 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.057 19.954 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.703 21.908 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.728 21.061 -0.278 1.00 0.00 H new ATOM 363 N ILE A 28 1.582 18.075 1.886 1.00 0.00 N ATOM 364 CA ILE A 28 2.463 17.425 2.849 1.00 0.00 C ATOM 365 C ILE A 28 3.704 16.862 2.165 1.00 0.00 C ATOM 366 O ILE A 28 3.752 16.746 0.941 1.00 0.00 O ATOM 367 CB ILE A 28 1.741 16.287 3.594 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.424 16.792 4.187 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.635 15.717 4.685 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.604 15.702 4.393 1.00 0.00 C ATOM 0 H ILE A 28 1.187 17.448 1.185 1.00 0.00 H new ATOM 0 HA ILE A 28 2.761 18.187 3.569 1.00 0.00 H new ATOM 0 HB ILE A 28 1.517 15.492 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.627 17.274 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.007 17.554 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.111 14.914 5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.549 15.325 4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.887 16.503 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.511 16.133 4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.836 15.235 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.206 14.951 5.076 1.00 0.00 H new ATOM 382 N ASN A 29 4.706 16.512 2.964 1.00 0.00 N ATOM 383 CA ASN A 29 5.948 15.960 2.436 1.00 0.00 C ATOM 384 C ASN A 29 6.061 14.472 2.756 1.00 0.00 C ATOM 385 O ASN A 29 5.243 13.921 3.492 1.00 0.00 O ATOM 386 CB ASN A 29 7.151 16.709 3.014 1.00 0.00 C ATOM 387 CG ASN A 29 7.268 18.120 2.470 1.00 0.00 C ATOM 388 OD1 ASN A 29 6.367 18.612 1.791 1.00 0.00 O ATOM 389 ND2 ASN A 29 8.384 18.777 2.766 1.00 0.00 N ATOM 0 H ASN A 29 4.682 16.601 3.980 1.00 0.00 H new ATOM 0 HA ASN A 29 5.939 16.082 1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.065 16.747 4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.063 16.158 2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.520 19.729 2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.104 18.329 3.332 1.00 0.00 H new ATOM 396 N SER A 30 7.081 13.828 2.198 1.00 0.00 N ATOM 397 CA SER A 30 7.299 12.403 2.420 1.00 0.00 C ATOM 398 C SER A 30 8.155 12.173 3.662 1.00 0.00 C ATOM 399 O SER A 30 8.317 11.040 4.116 1.00 0.00 O ATOM 400 CB SER A 30 7.971 11.772 1.199 1.00 0.00 C ATOM 401 OG SER A 30 9.289 12.264 1.031 1.00 0.00 O ATOM 0 H SER A 30 7.769 14.270 1.589 1.00 0.00 H new ATOM 0 HA SER A 30 6.329 11.931 2.575 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.996 10.688 1.313 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.383 11.985 0.306 1.00 0.00 H new ATOM 0 HG SER A 30 9.697 11.844 0.245 1.00 0.00 H new ATOM 407 N SER A 31 8.701 13.255 4.206 1.00 0.00 N ATOM 408 CA SER A 31 9.544 13.172 5.393 1.00 0.00 C ATOM 409 C SER A 31 8.698 13.179 6.662 1.00 0.00 C ATOM 410 O SER A 31 9.091 12.621 7.687 1.00 0.00 O ATOM 411 CB SER A 31 10.537 14.336 5.422 1.00 0.00 C ATOM 412 OG SER A 31 11.701 14.032 4.673 1.00 0.00 O ATOM 0 H SER A 31 8.575 14.200 3.844 1.00 0.00 H new ATOM 0 HA SER A 31 10.096 12.233 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.064 15.231 5.018 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.812 14.558 6.453 1.00 0.00 H new ATOM 0 HG SER A 31 12.319 14.792 4.706 1.00 0.00 H new ATOM 418 N ASP A 32 7.534 13.815 6.586 1.00 0.00 N ATOM 419 CA ASP A 32 6.630 13.895 7.727 1.00 0.00 C ATOM 420 C ASP A 32 5.563 12.807 7.652 1.00 0.00 C ATOM 421 O ASP A 32 4.649 12.763 8.475 1.00 0.00 O ATOM 422 CB ASP A 32 5.968 15.272 7.785 1.00 0.00 C ATOM 423 CG ASP A 32 5.543 15.652 9.190 1.00 0.00 C ATOM 424 OD1 ASP A 32 5.327 14.737 10.013 1.00 0.00 O ATOM 425 OD2 ASP A 32 5.428 16.864 9.468 1.00 0.00 O ATOM 0 H ASP A 32 7.194 14.283 5.746 1.00 0.00 H new ATOM 0 HA ASP A 32 7.215 13.743 8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.661 16.021 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.097 15.281 7.130 1.00 0.00 H new ATOM 430 N MET A 33 5.686 11.932 6.660 1.00 0.00 N ATOM 431 CA MET A 33 4.732 10.844 6.478 1.00 0.00 C ATOM 432 C MET A 33 5.343 9.510 6.895 1.00 0.00 C ATOM 433 O MET A 33 6.562 9.338 6.865 1.00 0.00 O ATOM 434 CB MET A 33 4.276 10.775 5.019 1.00 0.00 C ATOM 435 CG MET A 33 3.135 11.726 4.695 1.00 0.00 C ATOM 436 SD MET A 33 2.164 11.186 3.274 1.00 0.00 S ATOM 437 CE MET A 33 3.297 11.544 1.934 1.00 0.00 C ATOM 0 H MET A 33 6.437 11.955 5.970 1.00 0.00 H new ATOM 0 HA MET A 33 3.868 11.042 7.112 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.123 11.002 4.371 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.964 9.755 4.792 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.483 11.814 5.564 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.539 12.719 4.498 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.243 10.749 1.190 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.025 12.493 1.472 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.313 11.608 2.324 1.00 0.00 H new ATOM 447 N SER A 34 4.489 8.568 7.284 1.00 0.00 N ATOM 448 CA SER A 34 4.946 7.251 7.711 1.00 0.00 C ATOM 449 C SER A 34 3.872 6.196 7.460 1.00 0.00 C ATOM 450 O SER A 34 2.748 6.311 7.946 1.00 0.00 O ATOM 451 CB SER A 34 5.317 7.273 9.195 1.00 0.00 C ATOM 452 OG SER A 34 6.246 8.306 9.473 1.00 0.00 O ATOM 0 H SER A 34 3.477 8.693 7.312 1.00 0.00 H new ATOM 0 HA SER A 34 5.829 6.993 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.419 7.416 9.796 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.742 6.311 9.481 1.00 0.00 H new ATOM 0 HG SER A 34 6.466 8.300 10.428 1.00 0.00 H new ATOM 458 N ALA A 35 4.229 5.169 6.696 1.00 0.00 N ATOM 459 CA ALA A 35 3.298 4.092 6.381 1.00 0.00 C ATOM 460 C ALA A 35 3.621 2.836 7.182 1.00 0.00 C ATOM 461 O ALA A 35 4.785 2.545 7.459 1.00 0.00 O ATOM 462 CB ALA A 35 3.326 3.791 4.889 1.00 0.00 C ATOM 0 H ALA A 35 5.156 5.060 6.284 1.00 0.00 H new ATOM 0 HA ALA A 35 2.295 4.419 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.626 2.985 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.040 4.683 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.332 3.489 4.598 1.00 0.00 H new ATOM 468 N HIS A 36 2.582 2.093 7.553 1.00 0.00 N ATOM 469 CA HIS A 36 2.756 0.867 8.324 1.00 0.00 C ATOM 470 C HIS A 36 1.859 -0.244 7.786 1.00 0.00 C ATOM 471 O HIS A 36 0.634 -0.126 7.794 1.00 0.00 O ATOM 472 CB HIS A 36 2.445 1.119 9.800 1.00 0.00 C ATOM 473 CG HIS A 36 3.268 2.214 10.406 1.00 0.00 C ATOM 474 ND1 HIS A 36 2.809 3.505 10.559 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.528 2.203 10.902 1.00 0.00 C ATOM 476 CE1 HIS A 36 3.751 4.242 11.120 1.00 0.00 C ATOM 477 NE2 HIS A 36 4.804 3.476 11.339 1.00 0.00 N ATOM 0 H HIS A 36 1.612 2.319 7.332 1.00 0.00 H new ATOM 0 HA HIS A 36 3.795 0.551 8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.389 1.370 9.903 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.610 0.199 10.360 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.192 1.352 10.946 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.673 5.292 11.359 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.680 3.780 11.764 1.00 0.00 H new ATOM 486 N VAL A 37 2.478 -1.323 7.318 1.00 0.00 N ATOM 487 CA VAL A 37 1.737 -2.456 6.777 1.00 0.00 C ATOM 488 C VAL A 37 1.335 -3.428 7.880 1.00 0.00 C ATOM 489 O VAL A 37 2.143 -4.238 8.334 1.00 0.00 O ATOM 490 CB VAL A 37 2.560 -3.211 5.717 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.828 -4.465 5.265 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.863 -2.305 4.533 1.00 0.00 C ATOM 0 H VAL A 37 3.492 -1.436 7.303 1.00 0.00 H new ATOM 0 HA VAL A 37 0.840 -2.052 6.309 1.00 0.00 H new ATOM 0 HB VAL A 37 3.506 -3.514 6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.425 -4.985 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.668 -5.121 6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.866 -4.189 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.445 -2.855 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.929 -1.970 4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.433 -1.440 4.873 1.00 0.00 H new ATOM 502 N THR A 38 0.079 -3.343 8.308 1.00 0.00 N ATOM 503 CA THR A 38 -0.431 -4.214 9.359 1.00 0.00 C ATOM 504 C THR A 38 -1.003 -5.501 8.777 1.00 0.00 C ATOM 505 O THR A 38 -1.785 -5.470 7.827 1.00 0.00 O ATOM 506 CB THR A 38 -1.520 -3.512 10.192 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.154 -2.147 10.426 1.00 0.00 O ATOM 508 CG2 THR A 38 -1.726 -4.222 11.522 1.00 0.00 C ATOM 0 H THR A 38 -0.604 -2.679 7.942 1.00 0.00 H new ATOM 0 HA THR A 38 0.412 -4.455 10.006 1.00 0.00 H new ATOM 0 HB THR A 38 -2.454 -3.547 9.631 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.852 -1.707 10.955 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.500 -3.708 12.093 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.033 -5.252 11.341 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.794 -4.215 12.086 1.00 0.00 H new ATOM 516 N SER A 39 -0.609 -6.632 9.353 1.00 0.00 N ATOM 517 CA SER A 39 -1.082 -7.931 8.888 1.00 0.00 C ATOM 518 C SER A 39 -2.317 -8.371 9.667 1.00 0.00 C ATOM 519 O SER A 39 -2.590 -7.894 10.769 1.00 0.00 O ATOM 520 CB SER A 39 0.024 -8.980 9.029 1.00 0.00 C ATOM 521 OG SER A 39 0.859 -8.997 7.885 1.00 0.00 O ATOM 0 H SER A 39 0.036 -6.675 10.142 1.00 0.00 H new ATOM 0 HA SER A 39 -1.352 -7.836 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.621 -8.767 9.916 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.421 -9.965 9.173 1.00 0.00 H new ATOM 0 HG SER A 39 1.558 -9.674 8.000 1.00 0.00 H new ATOM 527 N PRO A 40 -3.085 -9.303 9.082 1.00 0.00 N ATOM 528 CA PRO A 40 -4.304 -9.828 9.703 1.00 0.00 C ATOM 529 C PRO A 40 -4.007 -10.697 10.921 1.00 0.00 C ATOM 530 O PRO A 40 -4.910 -11.047 11.680 1.00 0.00 O ATOM 531 CB PRO A 40 -4.936 -10.666 8.589 1.00 0.00 C ATOM 532 CG PRO A 40 -3.795 -11.059 7.716 1.00 0.00 C ATOM 533 CD PRO A 40 -2.820 -9.915 7.770 1.00 0.00 C ATOM 0 HA PRO A 40 -4.948 -9.031 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.445 -11.541 8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.679 -10.092 8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.334 -11.982 8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.129 -11.239 6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.790 -10.261 7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.984 -9.208 6.956 1.00 0.00 H new ATOM 541 N SER A 41 -2.735 -11.041 11.100 1.00 0.00 N ATOM 542 CA SER A 41 -2.320 -11.872 12.224 1.00 0.00 C ATOM 543 C SER A 41 -2.017 -11.016 13.450 1.00 0.00 C ATOM 544 O SER A 41 -1.978 -11.513 14.574 1.00 0.00 O ATOM 545 CB SER A 41 -1.088 -12.698 11.847 1.00 0.00 C ATOM 546 OG SER A 41 0.066 -11.880 11.758 1.00 0.00 O ATOM 0 H SER A 41 -1.975 -10.757 10.482 1.00 0.00 H new ATOM 0 HA SER A 41 -3.141 -12.547 12.468 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.928 -13.479 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.259 -13.197 10.893 1.00 0.00 H new ATOM 0 HG SER A 41 0.840 -12.431 11.518 1.00 0.00 H new ATOM 552 N GLY A 42 -1.802 -9.723 13.223 1.00 0.00 N ATOM 553 CA GLY A 42 -1.504 -8.817 14.317 1.00 0.00 C ATOM 554 C GLY A 42 -0.078 -8.305 14.274 1.00 0.00 C ATOM 555 O GLY A 42 0.421 -7.758 15.257 1.00 0.00 O ATOM 0 H GLY A 42 -1.829 -9.287 12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.191 -7.972 14.282 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.675 -9.328 15.265 1.00 0.00 H new ATOM 559 N ARG A 43 0.579 -8.485 13.133 1.00 0.00 N ATOM 560 CA ARG A 43 1.958 -8.039 12.968 1.00 0.00 C ATOM 561 C ARG A 43 2.040 -6.885 11.974 1.00 0.00 C ATOM 562 O ARG A 43 1.637 -7.016 10.818 1.00 0.00 O ATOM 563 CB ARG A 43 2.837 -9.198 12.494 1.00 0.00 C ATOM 564 CG ARG A 43 4.309 -8.836 12.374 1.00 0.00 C ATOM 565 CD ARG A 43 5.044 -9.794 11.450 1.00 0.00 C ATOM 566 NE ARG A 43 6.486 -9.782 11.684 1.00 0.00 N ATOM 567 CZ ARG A 43 7.364 -10.383 10.890 1.00 0.00 C ATOM 568 NH1 ARG A 43 6.950 -11.039 9.814 1.00 0.00 N ATOM 569 NH2 ARG A 43 8.660 -10.328 11.170 1.00 0.00 N ATOM 0 H ARG A 43 0.180 -8.936 12.310 1.00 0.00 H new ATOM 0 HA ARG A 43 2.319 -7.689 13.935 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.732 -10.031 13.189 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.476 -9.544 11.525 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.405 -7.818 11.996 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.771 -8.854 13.361 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.661 -10.804 11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.843 -9.524 10.413 1.00 0.00 H new ATOM 0 HE ARG A 43 6.837 -9.285 12.502 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.955 -11.083 9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.627 -11.500 9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.982 -9.824 11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.334 -10.790 10.559 1.00 0.00 H new ATOM 583 N VAL A 44 2.566 -5.753 12.432 1.00 0.00 N ATOM 584 CA VAL A 44 2.702 -4.575 11.583 1.00 0.00 C ATOM 585 C VAL A 44 4.166 -4.183 11.419 1.00 0.00 C ATOM 586 O VAL A 44 4.987 -4.415 12.307 1.00 0.00 O ATOM 587 CB VAL A 44 1.922 -3.377 12.157 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.317 -3.126 13.604 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.155 -2.135 11.310 1.00 0.00 C ATOM 0 H VAL A 44 2.905 -5.627 13.386 1.00 0.00 H new ATOM 0 HA VAL A 44 2.287 -4.836 10.609 1.00 0.00 H new ATOM 0 HB VAL A 44 0.858 -3.613 12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.756 -2.276 13.992 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.095 -4.011 14.201 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.384 -2.911 13.658 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.597 -1.298 11.730 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.218 -1.894 11.302 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.818 -2.321 10.290 1.00 0.00 H new ATOM 599 N THR A 45 4.488 -3.585 10.275 1.00 0.00 N ATOM 600 CA THR A 45 5.853 -3.161 9.993 1.00 0.00 C ATOM 601 C THR A 45 5.885 -1.735 9.455 1.00 0.00 C ATOM 602 O THR A 45 4.848 -1.083 9.337 1.00 0.00 O ATOM 603 CB THR A 45 6.533 -4.096 8.975 1.00 0.00 C ATOM 604 OG1 THR A 45 5.566 -4.588 8.040 1.00 0.00 O ATOM 605 CG2 THR A 45 7.204 -5.265 9.679 1.00 0.00 C ATOM 0 H THR A 45 3.821 -3.384 9.530 1.00 0.00 H new ATOM 0 HA THR A 45 6.398 -3.204 10.936 1.00 0.00 H new ATOM 0 HB THR A 45 7.295 -3.526 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.006 -5.180 7.395 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.677 -5.912 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.959 -4.889 10.369 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.457 -5.833 10.233 1.00 0.00 H new ATOM 613 N GLU A 46 7.082 -1.256 9.131 1.00 0.00 N ATOM 614 CA GLU A 46 7.248 0.094 8.606 1.00 0.00 C ATOM 615 C GLU A 46 7.503 0.065 7.102 1.00 0.00 C ATOM 616 O GLU A 46 8.351 -0.685 6.619 1.00 0.00 O ATOM 617 CB GLU A 46 8.403 0.803 9.317 1.00 0.00 C ATOM 618 CG GLU A 46 8.682 2.198 8.781 1.00 0.00 C ATOM 619 CD GLU A 46 9.955 2.796 9.348 1.00 0.00 C ATOM 620 OE1 GLU A 46 11.050 2.322 8.978 1.00 0.00 O ATOM 621 OE2 GLU A 46 9.856 3.738 10.162 1.00 0.00 O ATOM 0 H GLU A 46 7.951 -1.783 9.223 1.00 0.00 H new ATOM 0 HA GLU A 46 6.325 0.644 8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.177 0.870 10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.305 0.198 9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.756 2.158 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.841 2.850 9.019 1.00 0.00 H new ATOM 628 N ALA A 47 6.762 0.888 6.366 1.00 0.00 N ATOM 629 CA ALA A 47 6.908 0.959 4.918 1.00 0.00 C ATOM 630 C ALA A 47 7.784 2.139 4.511 1.00 0.00 C ATOM 631 O ALA A 47 7.972 3.078 5.283 1.00 0.00 O ATOM 632 CB ALA A 47 5.543 1.059 4.254 1.00 0.00 C ATOM 0 H ALA A 47 6.055 1.515 6.750 1.00 0.00 H new ATOM 0 HA ALA A 47 7.397 0.045 4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.667 1.111 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.949 0.181 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.033 1.956 4.604 1.00 0.00 H new ATOM 638 N GLU A 48 8.317 2.082 3.295 1.00 0.00 N ATOM 639 CA GLU A 48 9.175 3.147 2.788 1.00 0.00 C ATOM 640 C GLU A 48 8.455 3.962 1.717 1.00 0.00 C ATOM 641 O GLU A 48 7.698 3.418 0.913 1.00 0.00 O ATOM 642 CB GLU A 48 10.468 2.561 2.215 1.00 0.00 C ATOM 643 CG GLU A 48 11.423 3.611 1.672 1.00 0.00 C ATOM 644 CD GLU A 48 12.025 4.473 2.764 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.757 3.926 3.616 1.00 0.00 O ATOM 646 OE2 GLU A 48 11.765 5.694 2.768 1.00 0.00 O ATOM 0 H GLU A 48 8.170 1.311 2.643 1.00 0.00 H new ATOM 0 HA GLU A 48 9.421 3.808 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.974 1.989 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.218 1.862 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.224 3.118 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.893 4.247 0.963 1.00 0.00 H new ATOM 653 N ILE A 49 8.697 5.269 1.715 1.00 0.00 N ATOM 654 CA ILE A 49 8.073 6.159 0.744 1.00 0.00 C ATOM 655 C ILE A 49 9.079 6.619 -0.306 1.00 0.00 C ATOM 656 O ILE A 49 9.884 7.516 -0.058 1.00 0.00 O ATOM 657 CB ILE A 49 7.458 7.395 1.427 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.333 6.974 2.374 1.00 0.00 C ATOM 659 CG2 ILE A 49 6.941 8.374 0.383 1.00 0.00 C ATOM 660 CD1 ILE A 49 5.782 8.114 3.202 1.00 0.00 C ATOM 0 H ILE A 49 9.320 5.734 2.375 1.00 0.00 H new ATOM 0 HA ILE A 49 7.280 5.590 0.259 1.00 0.00 H new ATOM 0 HB ILE A 49 8.232 7.892 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.524 6.535 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.703 6.196 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.509 9.242 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.765 8.694 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.178 7.888 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.988 7.742 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.579 8.539 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.381 8.883 2.541 1.00 0.00 H new ATOM 672 N VAL A 50 9.025 6.000 -1.481 1.00 0.00 N ATOM 673 CA VAL A 50 9.929 6.348 -2.570 1.00 0.00 C ATOM 674 C VAL A 50 9.557 7.693 -3.185 1.00 0.00 C ATOM 675 O VAL A 50 8.388 7.990 -3.430 1.00 0.00 O ATOM 676 CB VAL A 50 9.920 5.273 -3.673 1.00 0.00 C ATOM 677 CG1 VAL A 50 10.826 5.680 -4.824 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.339 3.925 -3.105 1.00 0.00 C ATOM 0 H VAL A 50 8.365 5.255 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 50 10.929 6.411 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 50 8.904 5.181 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.806 4.908 -5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.477 6.622 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.846 5.802 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.327 3.177 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.345 4.001 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.645 3.630 -2.318 1.00 0.00 H new ATOM 688 N PRO A 51 10.575 8.528 -3.441 1.00 0.00 N ATOM 689 CA PRO A 51 10.381 9.856 -4.032 1.00 0.00 C ATOM 690 C PRO A 51 9.944 9.783 -5.491 1.00 0.00 C ATOM 691 O PRO A 51 10.773 9.823 -6.399 1.00 0.00 O ATOM 692 CB PRO A 51 11.764 10.500 -3.919 1.00 0.00 C ATOM 693 CG PRO A 51 12.715 9.354 -3.884 1.00 0.00 C ATOM 694 CD PRO A 51 11.995 8.240 -3.175 1.00 0.00 C ATOM 0 HA PRO A 51 9.593 10.416 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.966 11.156 -4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.845 11.109 -3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.002 9.054 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.631 9.623 -3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.286 7.263 -3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.211 8.238 -2.107 1.00 0.00 H new ATOM 702 N MET A 52 8.637 9.676 -5.708 1.00 0.00 N ATOM 703 CA MET A 52 8.091 9.600 -7.058 1.00 0.00 C ATOM 704 C MET A 52 8.459 10.841 -7.865 1.00 0.00 C ATOM 705 O MET A 52 9.000 10.741 -8.965 1.00 0.00 O ATOM 706 CB MET A 52 6.570 9.442 -7.008 1.00 0.00 C ATOM 707 CG MET A 52 6.115 8.008 -6.795 1.00 0.00 C ATOM 708 SD MET A 52 6.507 6.940 -8.193 1.00 0.00 S ATOM 709 CE MET A 52 4.865 6.552 -8.794 1.00 0.00 C ATOM 0 H MET A 52 7.937 9.640 -4.967 1.00 0.00 H new ATOM 0 HA MET A 52 8.524 8.728 -7.549 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.175 10.063 -6.204 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.143 9.815 -7.939 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.587 7.611 -5.896 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.039 7.994 -6.623 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.941 5.896 -9.661 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.299 6.051 -8.009 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.355 7.472 -9.079 1.00 0.00 H new ATOM 719 N GLY A 53 8.161 12.012 -7.310 1.00 0.00 N ATOM 720 CA GLY A 53 8.468 13.256 -7.992 1.00 0.00 C ATOM 721 C GLY A 53 7.518 14.375 -7.612 1.00 0.00 C ATOM 722 O GLY A 53 7.466 14.789 -6.454 1.00 0.00 O ATOM 0 H GLY A 53 7.713 12.121 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.489 13.554 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.424 13.097 -9.069 1.00 0.00 H new ATOM 726 N LYS A 54 6.765 14.867 -8.590 1.00 0.00 N ATOM 727 CA LYS A 54 5.813 15.946 -8.354 1.00 0.00 C ATOM 728 C LYS A 54 4.893 15.613 -7.183 1.00 0.00 C ATOM 729 O LYS A 54 3.841 15.001 -7.363 1.00 0.00 O ATOM 730 CB LYS A 54 4.981 16.204 -9.612 1.00 0.00 C ATOM 731 CG LYS A 54 4.200 17.506 -9.568 1.00 0.00 C ATOM 732 CD LYS A 54 3.897 18.021 -10.965 1.00 0.00 C ATOM 733 CE LYS A 54 2.641 18.879 -10.982 1.00 0.00 C ATOM 734 NZ LYS A 54 2.562 19.723 -12.207 1.00 0.00 N ATOM 0 H LYS A 54 6.796 14.535 -9.554 1.00 0.00 H new ATOM 0 HA LYS A 54 6.376 16.846 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.642 16.216 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.285 15.377 -9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.267 17.354 -9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.770 18.255 -9.019 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.742 18.604 -11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.773 17.179 -11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.762 18.237 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.626 19.518 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.692 20.293 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.388 20.354 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.551 19.113 -13.049 1.00 0.00 H new ATOM 748 N ASN A 55 5.297 16.021 -5.985 1.00 0.00 N ATOM 749 CA ASN A 55 4.508 15.766 -4.785 1.00 0.00 C ATOM 750 C ASN A 55 3.823 14.405 -4.863 1.00 0.00 C ATOM 751 O ASN A 55 2.644 14.272 -4.533 1.00 0.00 O ATOM 752 CB ASN A 55 3.462 16.866 -4.594 1.00 0.00 C ATOM 753 CG ASN A 55 2.905 17.369 -5.912 1.00 0.00 C ATOM 754 OD1 ASN A 55 2.201 16.647 -6.617 1.00 0.00 O ATOM 755 ND2 ASN A 55 3.219 18.615 -6.250 1.00 0.00 N ATOM 0 H ASN A 55 6.166 16.529 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 55 5.184 15.764 -3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.646 16.485 -3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.909 17.698 -4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.873 19.009 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.806 19.178 -5.634 1.00 0.00 H new ATOM 762 N SER A 56 4.569 13.397 -5.302 1.00 0.00 N ATOM 763 CA SER A 56 4.033 12.047 -5.427 1.00 0.00 C ATOM 764 C SER A 56 4.753 11.087 -4.484 1.00 0.00 C ATOM 765 O SER A 56 5.969 11.166 -4.309 1.00 0.00 O ATOM 766 CB SER A 56 4.163 11.555 -6.870 1.00 0.00 C ATOM 767 OG SER A 56 3.192 12.162 -7.704 1.00 0.00 O ATOM 0 H SER A 56 5.547 13.490 -5.577 1.00 0.00 H new ATOM 0 HA SER A 56 2.978 12.075 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.161 11.779 -7.246 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.047 10.472 -6.900 1.00 0.00 H new ATOM 0 HG SER A 56 3.311 13.135 -7.690 1.00 0.00 H new ATOM 773 N HIS A 57 3.992 10.181 -3.878 1.00 0.00 N ATOM 774 CA HIS A 57 4.556 9.205 -2.952 1.00 0.00 C ATOM 775 C HIS A 57 4.175 7.785 -3.362 1.00 0.00 C ATOM 776 O HIS A 57 3.026 7.517 -3.713 1.00 0.00 O ATOM 777 CB HIS A 57 4.075 9.484 -1.528 1.00 0.00 C ATOM 778 CG HIS A 57 3.934 10.942 -1.218 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.013 11.780 -1.035 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.831 11.711 -1.061 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.581 13.002 -0.777 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.260 12.987 -0.787 1.00 0.00 N ATOM 0 H HIS A 57 2.984 10.102 -4.011 1.00 0.00 H new ATOM 0 HA HIS A 57 5.642 9.295 -2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.113 8.994 -1.376 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.776 9.037 -0.823 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.805 11.383 -1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.202 13.866 -0.590 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.657 13.792 -0.619 1.00 0.00 H new ATOM 791 N CYS A 58 5.147 6.881 -3.314 1.00 0.00 N ATOM 792 CA CYS A 58 4.914 5.488 -3.682 1.00 0.00 C ATOM 793 C CYS A 58 5.404 4.547 -2.586 1.00 0.00 C ATOM 794 O CYS A 58 6.599 4.482 -2.297 1.00 0.00 O ATOM 795 CB CYS A 58 5.616 5.163 -5.001 1.00 0.00 C ATOM 796 SG CYS A 58 5.025 3.652 -5.799 1.00 0.00 S ATOM 0 H CYS A 58 6.103 7.087 -3.024 1.00 0.00 H new ATOM 0 HA CYS A 58 3.840 5.345 -3.805 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.482 5.999 -5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.686 5.069 -4.817 1.00 0.00 H new ATOM 0 HG CYS A 58 3.745 3.531 -5.605 1.00 0.00 H new ATOM 802 N VAL A 59 4.472 3.821 -1.977 1.00 0.00 N ATOM 803 CA VAL A 59 4.808 2.884 -0.912 1.00 0.00 C ATOM 804 C VAL A 59 5.131 1.504 -1.475 1.00 0.00 C ATOM 805 O VAL A 59 4.357 0.943 -2.252 1.00 0.00 O ATOM 806 CB VAL A 59 3.659 2.755 0.106 1.00 0.00 C ATOM 807 CG1 VAL A 59 4.042 1.799 1.225 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.287 4.120 0.664 1.00 0.00 C ATOM 0 H VAL A 59 3.478 3.864 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 59 5.688 3.282 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 59 2.787 2.347 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.218 1.721 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.255 0.815 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.928 2.175 1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.474 4.010 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.153 4.558 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.968 4.771 -0.150 1.00 0.00 H new ATOM 818 N ARG A 60 6.278 0.963 -1.079 1.00 0.00 N ATOM 819 CA ARG A 60 6.703 -0.352 -1.545 1.00 0.00 C ATOM 820 C ARG A 60 6.891 -1.310 -0.372 1.00 0.00 C ATOM 821 O ARG A 60 7.656 -1.035 0.552 1.00 0.00 O ATOM 822 CB ARG A 60 8.007 -0.238 -2.338 1.00 0.00 C ATOM 823 CG ARG A 60 7.796 -0.005 -3.825 1.00 0.00 C ATOM 824 CD ARG A 60 9.088 -0.191 -4.606 1.00 0.00 C ATOM 825 NE ARG A 60 8.839 -0.580 -5.991 1.00 0.00 N ATOM 826 CZ ARG A 60 8.437 0.267 -6.932 1.00 0.00 C ATOM 827 NH1 ARG A 60 8.240 1.545 -6.638 1.00 0.00 N ATOM 828 NH2 ARG A 60 8.232 -0.163 -8.170 1.00 0.00 N ATOM 0 H ARG A 60 6.930 1.414 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 60 5.923 -0.749 -2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.600 0.581 -1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.587 -1.150 -2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.040 -0.696 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.414 1.003 -3.986 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.660 0.737 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.699 -0.952 -4.120 1.00 0.00 H new ATOM 0 HE ARG A 60 8.982 -1.556 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.397 1.880 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.931 2.193 -7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.383 -1.145 -8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.923 0.488 -8.892 1.00 0.00 H new ATOM 842 N PHE A 61 6.186 -2.436 -0.417 1.00 0.00 N ATOM 843 CA PHE A 61 6.273 -3.434 0.643 1.00 0.00 C ATOM 844 C PHE A 61 5.857 -4.810 0.129 1.00 0.00 C ATOM 845 O PHE A 61 5.125 -4.922 -0.855 1.00 0.00 O ATOM 846 CB PHE A 61 5.392 -3.031 1.827 1.00 0.00 C ATOM 847 CG PHE A 61 3.932 -2.945 1.486 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.216 -4.084 1.153 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.275 -1.725 1.497 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.872 -4.008 0.839 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.932 -1.643 1.184 1.00 0.00 C ATOM 852 CZ PHE A 61 1.230 -2.785 0.853 1.00 0.00 C ATOM 0 H PHE A 61 5.549 -2.680 -1.175 1.00 0.00 H new ATOM 0 HA PHE A 61 7.310 -3.487 0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.527 -3.753 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.726 -2.065 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.714 -5.042 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.819 -0.828 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.325 -4.903 0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.431 -0.686 1.198 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.181 -2.722 0.605 1.00 0.00 H new ATOM 862 N VAL A 62 6.328 -5.854 0.803 1.00 0.00 N ATOM 863 CA VAL A 62 6.005 -7.222 0.417 1.00 0.00 C ATOM 864 C VAL A 62 4.887 -7.789 1.285 1.00 0.00 C ATOM 865 O VAL A 62 5.094 -8.173 2.436 1.00 0.00 O ATOM 866 CB VAL A 62 7.237 -8.141 0.522 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.954 -9.488 -0.125 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.450 -7.479 -0.114 1.00 0.00 C ATOM 0 H VAL A 62 6.935 -5.778 1.619 1.00 0.00 H new ATOM 0 HA VAL A 62 5.674 -7.188 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 62 7.455 -8.310 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.835 -10.124 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.113 -9.964 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.710 -9.342 -1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.311 -8.142 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.246 -7.279 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.663 -6.541 0.399 1.00 0.00 H new ATOM 878 N PRO A 63 3.670 -7.843 0.722 1.00 0.00 N ATOM 879 CA PRO A 63 2.494 -8.362 1.426 1.00 0.00 C ATOM 880 C PRO A 63 2.568 -9.870 1.644 1.00 0.00 C ATOM 881 O PRO A 63 3.589 -10.497 1.363 1.00 0.00 O ATOM 882 CB PRO A 63 1.336 -8.014 0.488 1.00 0.00 C ATOM 883 CG PRO A 63 1.957 -7.926 -0.864 1.00 0.00 C ATOM 884 CD PRO A 63 3.350 -7.402 -0.646 1.00 0.00 C ATOM 0 HA PRO A 63 2.395 -7.935 2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.559 -8.778 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.867 -7.071 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.979 -8.902 -1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.387 -7.261 -1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.051 -7.810 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.390 -6.317 -0.738 1.00 0.00 H new ATOM 892 N GLN A 64 1.480 -10.444 2.146 1.00 0.00 N ATOM 893 CA GLN A 64 1.423 -11.879 2.402 1.00 0.00 C ATOM 894 C GLN A 64 0.388 -12.551 1.506 1.00 0.00 C ATOM 895 O GLN A 64 -0.358 -11.880 0.793 1.00 0.00 O ATOM 896 CB GLN A 64 1.091 -12.144 3.871 1.00 0.00 C ATOM 897 CG GLN A 64 2.247 -11.859 4.817 1.00 0.00 C ATOM 898 CD GLN A 64 3.448 -12.747 4.554 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.611 -13.792 5.184 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.296 -12.335 3.620 1.00 0.00 N ATOM 0 H GLN A 64 0.627 -9.939 2.384 1.00 0.00 H new ATOM 0 HA GLN A 64 2.402 -12.302 2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.237 -11.530 4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.788 -13.185 3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.543 -10.815 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.914 -12.000 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.122 -11.462 3.122 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.122 -12.891 3.400 1.00 0.00 H new ATOM 909 N GLU A 65 0.349 -13.879 1.547 1.00 0.00 N ATOM 910 CA GLU A 65 -0.594 -14.641 0.737 1.00 0.00 C ATOM 911 C GLU A 65 -1.872 -14.930 1.518 1.00 0.00 C ATOM 912 O GLU A 65 -1.825 -15.378 2.663 1.00 0.00 O ATOM 913 CB GLU A 65 0.041 -15.953 0.274 1.00 0.00 C ATOM 914 CG GLU A 65 0.099 -17.017 1.357 1.00 0.00 C ATOM 915 CD GLU A 65 0.792 -18.284 0.894 1.00 0.00 C ATOM 916 OE1 GLU A 65 2.016 -18.236 0.653 1.00 0.00 O ATOM 917 OE2 GLU A 65 0.110 -19.323 0.773 1.00 0.00 O ATOM 0 H GLU A 65 0.959 -14.449 2.132 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.850 -14.042 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.523 -16.340 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.052 -15.752 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.623 -16.618 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.914 -17.258 1.679 1.00 0.00 H new ATOM 924 N MET A 66 -3.014 -14.669 0.891 1.00 0.00 N ATOM 925 CA MET A 66 -4.306 -14.901 1.526 1.00 0.00 C ATOM 926 C MET A 66 -4.411 -14.135 2.841 1.00 0.00 C ATOM 927 O MET A 66 -4.731 -14.709 3.881 1.00 0.00 O ATOM 928 CB MET A 66 -4.514 -16.396 1.776 1.00 0.00 C ATOM 929 CG MET A 66 -3.899 -17.282 0.705 1.00 0.00 C ATOM 930 SD MET A 66 -4.706 -17.097 -0.897 1.00 0.00 S ATOM 931 CE MET A 66 -3.406 -16.306 -1.842 1.00 0.00 C ATOM 0 H MET A 66 -3.071 -14.296 -0.057 1.00 0.00 H new ATOM 0 HA MET A 66 -5.084 -14.540 0.853 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.085 -16.658 2.743 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.583 -16.601 1.836 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.841 -17.042 0.604 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.961 -18.323 1.021 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.372 -16.735 -2.843 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.606 -15.237 -1.912 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.448 -16.464 -1.346 1.00 0.00 H new ATOM 941 N GLY A 67 -4.138 -12.835 2.787 1.00 0.00 N ATOM 942 CA GLY A 67 -4.206 -12.012 3.980 1.00 0.00 C ATOM 943 C GLY A 67 -4.511 -10.560 3.667 1.00 0.00 C ATOM 944 O GLY A 67 -3.940 -9.984 2.741 1.00 0.00 O ATOM 0 H GLY A 67 -3.871 -12.337 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.974 -12.406 4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.258 -12.074 4.515 1.00 0.00 H new ATOM 948 N VAL A 68 -5.416 -9.967 4.439 1.00 0.00 N ATOM 949 CA VAL A 68 -5.797 -8.574 4.239 1.00 0.00 C ATOM 950 C VAL A 68 -4.981 -7.647 5.134 1.00 0.00 C ATOM 951 O VAL A 68 -5.027 -7.753 6.361 1.00 0.00 O ATOM 952 CB VAL A 68 -7.295 -8.355 4.522 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.743 -6.997 4.006 1.00 0.00 C ATOM 954 CG2 VAL A 68 -8.122 -9.470 3.900 1.00 0.00 C ATOM 0 H VAL A 68 -5.899 -10.430 5.209 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.594 -8.338 3.194 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.450 -8.376 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.804 -6.860 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.171 -6.213 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.575 -6.943 2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.178 -9.300 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.963 -9.483 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.818 -10.428 4.323 1.00 0.00 H new ATOM 964 N HIS A 69 -4.236 -6.739 4.513 1.00 0.00 N ATOM 965 CA HIS A 69 -3.410 -5.792 5.254 1.00 0.00 C ATOM 966 C HIS A 69 -4.061 -4.412 5.285 1.00 0.00 C ATOM 967 O HIS A 69 -4.993 -4.136 4.529 1.00 0.00 O ATOM 968 CB HIS A 69 -2.019 -5.697 4.628 1.00 0.00 C ATOM 969 CG HIS A 69 -1.353 -7.027 4.445 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.848 -8.008 3.612 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.224 -7.534 4.993 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.053 -9.062 3.656 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.059 -8.800 4.487 1.00 0.00 N ATOM 0 H HIS A 69 -4.187 -6.639 3.499 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.316 -6.154 6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.098 -5.203 3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.389 -5.068 5.256 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.426 -7.036 5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.192 -9.981 3.107 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.706 -9.435 4.715 1.00 0.00 H new ATOM 982 N THR A 70 -3.565 -3.549 6.166 1.00 0.00 N ATOM 983 CA THR A 70 -4.099 -2.199 6.298 1.00 0.00 C ATOM 984 C THR A 70 -2.980 -1.165 6.324 1.00 0.00 C ATOM 985 O THR A 70 -2.128 -1.179 7.212 1.00 0.00 O ATOM 986 CB THR A 70 -4.948 -2.052 7.575 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.568 -3.302 7.897 1.00 0.00 O ATOM 988 CG2 THR A 70 -6.014 -0.983 7.396 1.00 0.00 C ATOM 0 H THR A 70 -2.794 -3.761 6.799 1.00 0.00 H new ATOM 0 HA THR A 70 -4.732 -2.024 5.428 1.00 0.00 H new ATOM 0 HB THR A 70 -4.289 -1.753 8.390 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.105 -3.201 8.711 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.601 -0.897 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.538 -0.027 7.180 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.669 -1.257 6.569 1.00 0.00 H new ATOM 996 N VAL A 71 -2.987 -0.267 5.344 1.00 0.00 N ATOM 997 CA VAL A 71 -1.973 0.777 5.255 1.00 0.00 C ATOM 998 C VAL A 71 -2.395 2.021 6.028 1.00 0.00 C ATOM 999 O VAL A 71 -3.262 2.774 5.585 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.693 1.166 3.791 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.482 2.081 3.704 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.494 -0.079 2.939 1.00 0.00 C ATOM 0 H VAL A 71 -3.684 -0.242 4.600 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.062 0.371 5.695 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.556 1.709 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.300 2.345 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.668 2.987 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.391 1.568 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.297 0.214 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.648 -0.650 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.394 -0.693 2.977 1.00 0.00 H new ATOM 1012 N SER A 72 -1.777 2.231 7.186 1.00 0.00 N ATOM 1013 CA SER A 72 -2.091 3.383 8.023 1.00 0.00 C ATOM 1014 C SER A 72 -1.063 4.493 7.827 1.00 0.00 C ATOM 1015 O SER A 72 0.078 4.385 8.274 1.00 0.00 O ATOM 1016 CB SER A 72 -2.140 2.971 9.496 1.00 0.00 C ATOM 1017 OG SER A 72 -3.126 1.978 9.715 1.00 0.00 O ATOM 0 H SER A 72 -1.056 1.618 7.566 1.00 0.00 H new ATOM 0 HA SER A 72 -3.069 3.761 7.726 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.165 2.594 9.804 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.354 3.843 10.114 1.00 0.00 H new ATOM 0 HG SER A 72 -3.136 1.731 10.663 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.478 5.562 7.155 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.595 6.695 6.899 1.00 0.00 C ATOM 1025 C VAL A 73 -1.078 7.943 7.629 1.00 0.00 C ATOM 1026 O VAL A 73 -2.064 8.566 7.233 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.496 7.000 5.393 1.00 0.00 C ATOM 1028 CG1 VAL A 73 0.365 8.231 5.153 1.00 0.00 C ATOM 1029 CG2 VAL A 73 0.056 5.798 4.641 1.00 0.00 C ATOM 0 H VAL A 73 -2.420 5.668 6.778 1.00 0.00 H new ATOM 0 HA VAL A 73 0.391 6.419 7.271 1.00 0.00 H new ATOM 0 HB VAL A 73 -1.497 7.207 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.424 8.431 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.078 9.089 5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.367 8.056 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.119 6.031 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.049 5.557 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.605 4.943 4.786 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.377 8.305 8.698 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.731 9.481 9.484 1.00 0.00 C ATOM 1041 C LYS A 74 0.192 10.651 9.159 1.00 0.00 C ATOM 1042 O LYS A 74 1.282 10.462 8.619 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.660 9.161 10.979 1.00 0.00 C ATOM 1044 CG LYS A 74 -1.962 8.623 11.548 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.123 8.990 13.013 1.00 0.00 C ATOM 1046 CE LYS A 74 -0.953 8.489 13.846 1.00 0.00 C ATOM 1047 NZ LYS A 74 -1.341 8.259 15.265 1.00 0.00 N ATOM 0 H LYS A 74 0.441 7.800 9.040 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.752 9.765 9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.130 8.430 11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.381 10.064 11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.801 9.021 10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.988 7.539 11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.203 10.073 13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.051 8.566 13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.574 7.561 13.418 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.141 9.215 13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.516 7.918 15.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.679 9.150 15.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.099 7.548 15.307 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.250 11.858 9.494 1.00 0.00 N ATOM 1062 CA TYR A 75 0.536 13.058 9.237 1.00 0.00 C ATOM 1063 C TYR A 75 0.472 14.016 10.423 1.00 0.00 C ATOM 1064 O TYR A 75 -0.611 14.369 10.891 1.00 0.00 O ATOM 1065 CB TYR A 75 0.037 13.760 7.973 1.00 0.00 C ATOM 1066 CG TYR A 75 0.540 15.178 7.829 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.899 15.463 7.878 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.344 16.234 7.644 1.00 0.00 C ATOM 1069 CE1 TYR A 75 2.363 16.758 7.748 1.00 0.00 C ATOM 1070 CE2 TYR A 75 0.111 17.532 7.511 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.465 17.789 7.564 1.00 0.00 C ATOM 1072 OH TYR A 75 1.922 19.080 7.433 1.00 0.00 O ATOM 0 H TYR A 75 -1.149 12.031 9.944 1.00 0.00 H new ATOM 0 HA TYR A 75 1.573 12.757 9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.346 13.183 7.101 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.053 13.769 7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.605 14.658 8.020 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.405 16.037 7.603 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.423 16.962 7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.590 18.341 7.366 1.00 0.00 H new ATOM 0 HH TYR A 75 1.161 19.685 7.309 1.00 0.00 H new ATOM 1082 N ARG A 76 1.639 14.433 10.902 1.00 0.00 N ATOM 1083 CA ARG A 76 1.716 15.350 12.034 1.00 0.00 C ATOM 1084 C ARG A 76 0.665 15.006 13.085 1.00 0.00 C ATOM 1085 O ARG A 76 0.220 15.870 13.839 1.00 0.00 O ATOM 1086 CB ARG A 76 1.528 16.793 11.562 1.00 0.00 C ATOM 1087 CG ARG A 76 2.829 17.488 11.195 1.00 0.00 C ATOM 1088 CD ARG A 76 2.605 18.959 10.881 1.00 0.00 C ATOM 1089 NE ARG A 76 1.988 19.669 11.998 1.00 0.00 N ATOM 1090 CZ ARG A 76 0.676 19.718 12.204 1.00 0.00 C ATOM 1091 NH1 ARG A 76 -0.152 19.101 11.372 1.00 0.00 N ATOM 1092 NH2 ARG A 76 0.191 20.385 13.243 1.00 0.00 N ATOM 0 H ARG A 76 2.544 14.151 10.525 1.00 0.00 H new ATOM 0 HA ARG A 76 2.703 15.248 12.486 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.866 16.800 10.696 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.031 17.362 12.348 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.538 17.394 12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.276 16.994 10.332 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.559 19.427 10.636 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.970 19.049 9.999 1.00 0.00 H new ATOM 0 HE ARG A 76 2.598 20.154 12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.218 18.587 10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.159 19.140 11.532 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.825 20.861 13.885 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.816 20.422 13.400 1.00 0.00 H new ATOM 1106 N GLY A 77 0.272 13.736 13.128 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.724 13.301 14.090 1.00 0.00 C ATOM 1108 C GLY A 77 -2.138 13.419 13.555 1.00 0.00 C ATOM 1109 O GLY A 77 -3.062 13.751 14.296 1.00 0.00 O ATOM 0 H GLY A 77 0.625 13.002 12.514 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.529 12.265 14.367 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.632 13.896 14.998 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.305 13.148 12.264 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.615 13.229 11.631 1.00 0.00 C ATOM 1115 C GLN A 78 -3.717 12.251 10.464 1.00 0.00 C ATOM 1116 O GLN A 78 -2.884 12.261 9.558 1.00 0.00 O ATOM 1117 CB GLN A 78 -3.883 14.653 11.142 1.00 0.00 C ATOM 1118 CG GLN A 78 -3.427 14.902 9.714 1.00 0.00 C ATOM 1119 CD GLN A 78 -3.557 16.356 9.304 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -3.205 17.260 10.062 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -4.066 16.589 8.100 1.00 0.00 N ATOM 0 H GLN A 78 -1.550 12.871 11.637 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.366 12.961 12.374 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.951 14.858 11.214 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.378 15.357 11.804 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.388 14.591 9.609 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.015 14.283 9.036 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.345 15.809 7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.178 17.548 7.771 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.744 11.407 10.494 1.00 0.00 N ATOM 1131 CA HIS A 79 -4.955 10.422 9.439 1.00 0.00 C ATOM 1132 C HIS A 79 -5.334 11.104 8.127 1.00 0.00 C ATOM 1133 O HIS A 79 -6.270 11.903 8.079 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.046 9.433 9.846 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.544 8.301 10.689 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -5.152 7.088 10.163 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.370 8.203 12.028 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.759 6.292 11.142 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -4.881 6.945 12.284 1.00 0.00 N ATOM 0 H HIS A 79 -5.443 11.386 11.237 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.021 9.880 9.290 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.823 9.967 10.394 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.511 9.028 8.947 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -5.164 6.843 9.173 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.577 8.971 12.759 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.399 5.280 11.028 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.600 10.785 7.066 1.00 0.00 N ATOM 1149 CA VAL A 80 -4.859 11.366 5.754 1.00 0.00 C ATOM 1150 C VAL A 80 -6.217 10.928 5.218 1.00 0.00 C ATOM 1151 O VAL A 80 -6.771 9.915 5.648 1.00 0.00 O ATOM 1152 CB VAL A 80 -3.768 10.974 4.741 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.389 11.326 5.277 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.857 9.492 4.410 1.00 0.00 C ATOM 0 H VAL A 80 -3.821 10.127 7.089 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.854 12.449 5.880 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.930 11.539 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.631 11.041 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.332 12.399 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.213 10.790 6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.079 9.232 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.722 8.907 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.834 9.273 3.980 1.00 0.00 H new ATOM 1164 N THR A 81 -6.751 11.697 4.273 1.00 0.00 N ATOM 1165 CA THR A 81 -8.044 11.389 3.677 1.00 0.00 C ATOM 1166 C THR A 81 -8.022 10.030 2.987 1.00 0.00 C ATOM 1167 O THR A 81 -7.124 9.738 2.199 1.00 0.00 O ATOM 1168 CB THR A 81 -8.463 12.464 2.656 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.536 13.744 3.295 1.00 0.00 O ATOM 1170 CG2 THR A 81 -9.809 12.124 2.034 1.00 0.00 C ATOM 0 H THR A 81 -6.307 12.538 3.905 1.00 0.00 H new ATOM 0 HA THR A 81 -8.770 11.369 4.490 1.00 0.00 H new ATOM 0 HB THR A 81 -7.713 12.495 1.865 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.801 14.422 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.084 12.897 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.742 11.163 1.524 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.567 12.068 2.815 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.018 9.202 3.289 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.094 7.883 2.688 1.00 0.00 C ATOM 1180 C GLY A 82 -8.453 6.815 3.551 1.00 0.00 C ATOM 1181 O GLY A 82 -8.865 5.655 3.523 1.00 0.00 O ATOM 0 H GLY A 82 -9.773 9.421 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.139 7.626 2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.604 7.902 1.715 1.00 0.00 H new ATOM 1185 N SER A 83 -7.441 7.205 4.319 1.00 0.00 N ATOM 1186 CA SER A 83 -6.738 6.271 5.191 1.00 0.00 C ATOM 1187 C SER A 83 -7.537 6.009 6.464 1.00 0.00 C ATOM 1188 O SER A 83 -8.333 6.836 6.909 1.00 0.00 O ATOM 1189 CB SER A 83 -5.354 6.817 5.547 1.00 0.00 C ATOM 1190 OG SER A 83 -4.964 6.408 6.847 1.00 0.00 O ATOM 0 H SER A 83 -7.089 8.162 4.355 1.00 0.00 H new ATOM 0 HA SER A 83 -6.623 5.329 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.623 6.468 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.364 7.906 5.492 1.00 0.00 H new ATOM 0 HG SER A 83 -4.076 6.768 7.051 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.321 4.829 7.065 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.376 3.837 6.544 1.00 0.00 C ATOM 1198 C PRO A 84 -6.863 3.198 5.247 1.00 0.00 C ATOM 1199 O PRO A 84 -8.065 3.132 4.989 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.307 2.793 7.661 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.605 2.920 8.380 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.983 4.374 8.299 1.00 0.00 C ATOM 0 HA PRO A 84 -5.412 4.282 6.297 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.175 1.789 7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.465 2.982 8.327 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.369 2.292 7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.510 2.599 9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.064 4.506 8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.635 4.929 9.170 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.922 2.729 4.435 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.255 2.095 3.164 1.00 0.00 C ATOM 1212 C PHE A 85 -6.160 0.576 3.273 1.00 0.00 C ATOM 1213 O PHE A 85 -5.069 0.020 3.397 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.323 2.598 2.060 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.350 4.090 1.886 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.376 4.700 1.182 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.350 4.882 2.427 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.403 6.072 1.020 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.372 6.255 2.268 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.400 6.851 1.565 1.00 0.00 C ATOM 0 H PHE A 85 -4.923 2.776 4.634 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.282 2.360 2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.304 2.285 2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.601 2.125 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.163 4.096 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.544 4.421 2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.207 6.535 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.586 6.861 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.420 7.924 1.441 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.311 -0.087 3.225 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.358 -1.542 3.319 1.00 0.00 C ATOM 1232 C GLN A 86 -7.372 -2.177 1.933 1.00 0.00 C ATOM 1233 O GLN A 86 -8.056 -1.699 1.027 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.591 -1.983 4.108 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.458 -3.367 4.723 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.794 -3.960 5.122 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.612 -4.308 4.270 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.024 -4.079 6.425 1.00 0.00 N ATOM 0 H GLN A 86 -8.222 0.359 3.122 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.462 -1.876 3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.783 -1.260 4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.458 -1.970 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.968 -4.031 4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.814 -3.310 5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.318 -3.778 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -10.906 -4.471 6.753 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.612 -3.255 1.773 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.537 -3.955 0.496 1.00 0.00 C ATOM 1249 C PHE A 87 -6.305 -5.449 0.707 1.00 0.00 C ATOM 1250 O PHE A 87 -5.579 -5.855 1.616 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.415 -3.371 -0.364 1.00 0.00 C ATOM 1252 CG PHE A 87 -4.039 -3.716 0.129 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.484 -4.957 -0.138 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.300 -2.800 0.860 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.218 -5.278 0.315 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -2.034 -3.114 1.316 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.492 -4.355 1.042 1.00 0.00 C ATOM 0 H PHE A 87 -6.039 -3.663 2.512 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.488 -3.822 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.527 -3.732 -1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.519 -2.286 -0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.047 -5.682 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.719 -1.828 1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.797 -6.249 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.469 -2.391 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.502 -4.603 1.396 1.00 0.00 H new ATOM 1267 N THR A 88 -6.928 -6.264 -0.138 1.00 0.00 N ATOM 1268 CA THR A 88 -6.793 -7.712 -0.044 1.00 0.00 C ATOM 1269 C THR A 88 -5.779 -8.236 -1.055 1.00 0.00 C ATOM 1270 O THR A 88 -5.816 -7.874 -2.231 1.00 0.00 O ATOM 1271 CB THR A 88 -8.142 -8.418 -0.274 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.130 -7.889 0.617 1.00 0.00 O ATOM 1273 CG2 THR A 88 -8.011 -9.919 -0.061 1.00 0.00 C ATOM 0 H THR A 88 -7.532 -5.945 -0.896 1.00 0.00 H new ATOM 0 HA THR A 88 -6.444 -7.932 0.965 1.00 0.00 H new ATOM 0 HB THR A 88 -8.449 -8.239 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.985 -8.342 0.463 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.977 -10.396 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.280 -10.323 -0.761 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.683 -10.114 0.960 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.874 -9.090 -0.589 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.850 -9.666 -1.453 1.00 0.00 C ATOM 1283 C VAL A 89 -4.416 -10.806 -2.292 1.00 0.00 C ATOM 1284 O VAL A 89 -5.108 -11.684 -1.778 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.655 -10.189 -0.635 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.614 -10.816 -1.551 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.043 -9.068 0.191 1.00 0.00 C ATOM 0 H VAL A 89 -4.829 -9.399 0.382 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.508 -8.869 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.014 -10.959 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.777 -11.180 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.062 -11.648 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.257 -10.070 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.200 -9.456 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.698 -8.274 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.792 -8.669 0.875 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.117 -10.787 -3.587 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.604 -11.824 -4.477 1.00 0.00 C ATOM 1299 C GLY A 90 -3.509 -12.782 -4.904 1.00 0.00 C ATOM 1300 O GLY A 90 -2.483 -12.923 -4.238 1.00 0.00 O ATOM 0 H GLY A 90 -3.546 -10.071 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.397 -12.382 -3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.044 -11.363 -5.361 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.724 -13.464 -6.039 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.759 -14.426 -6.579 1.00 0.00 C ATOM 1306 C PRO A 91 -1.499 -13.750 -7.107 1.00 0.00 C ATOM 1307 O PRO A 91 -1.565 -12.684 -7.722 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.526 -15.095 -7.722 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.544 -14.088 -8.135 1.00 0.00 C ATOM 1310 CD PRO A 91 -4.924 -13.346 -6.884 1.00 0.00 C ATOM 0 HA PRO A 91 -2.409 -15.123 -5.817 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.863 -15.349 -8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.996 -16.022 -7.394 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.139 -13.408 -8.884 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.413 -14.572 -8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.167 -12.304 -7.093 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.798 -13.787 -6.405 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.352 -14.375 -6.866 1.00 0.00 N ATOM 1319 CA LEU A 92 0.925 -13.833 -7.318 1.00 0.00 C ATOM 1320 C LEU A 92 0.926 -13.632 -8.830 1.00 0.00 C ATOM 1321 O LEU A 92 1.285 -12.565 -9.325 1.00 0.00 O ATOM 1322 CB LEU A 92 2.069 -14.765 -6.915 1.00 0.00 C ATOM 1323 CG LEU A 92 3.411 -14.519 -7.606 1.00 0.00 C ATOM 1324 CD1 LEU A 92 4.220 -13.480 -6.845 1.00 0.00 C ATOM 1325 CD2 LEU A 92 4.192 -15.818 -7.732 1.00 0.00 C ATOM 0 H LEU A 92 -0.280 -15.258 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 92 1.070 -12.864 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.217 -14.681 -5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.762 -15.792 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 92 3.217 -14.137 -8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.172 -13.318 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.665 -12.543 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.404 -13.834 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.144 -15.624 -8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.376 -16.230 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.617 -16.533 -8.321 1.00 0.00 H new ATOM 1337 N GLY A 93 0.519 -14.667 -9.560 1.00 0.00 N ATOM 1338 CA GLY A 93 0.479 -14.583 -11.008 1.00 0.00 C ATOM 1339 C GLY A 93 0.436 -15.948 -11.667 1.00 0.00 C ATOM 1340 O GLY A 93 1.283 -16.800 -11.399 1.00 0.00 O ATOM 0 H GLY A 93 0.217 -15.561 -9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.396 -14.009 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.355 -14.040 -11.362 1.00 0.00 H new ATOM 1344 N GLU A 94 -0.555 -16.156 -12.529 1.00 0.00 N ATOM 1345 CA GLU A 94 -0.706 -17.428 -13.225 1.00 0.00 C ATOM 1346 C GLU A 94 0.476 -17.682 -14.157 1.00 0.00 C ATOM 1347 O GLU A 94 0.608 -17.041 -15.198 1.00 0.00 O ATOM 1348 CB GLU A 94 -2.011 -17.447 -14.022 1.00 0.00 C ATOM 1349 CG GLU A 94 -2.174 -18.680 -14.895 1.00 0.00 C ATOM 1350 CD GLU A 94 -2.341 -19.950 -14.084 1.00 0.00 C ATOM 1351 OE1 GLU A 94 -3.390 -20.097 -13.422 1.00 0.00 O ATOM 1352 OE2 GLU A 94 -1.424 -20.797 -14.112 1.00 0.00 O ATOM 0 H GLU A 94 -1.264 -15.461 -12.761 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.734 -18.221 -12.477 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.851 -17.389 -13.329 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.055 -16.558 -14.651 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.041 -18.550 -15.543 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.304 -18.779 -15.544 1.00 0.00 H new ATOM 1359 N GLY A 95 1.334 -18.623 -13.773 1.00 0.00 N ATOM 1360 CA GLY A 95 2.493 -18.945 -14.583 1.00 0.00 C ATOM 1361 C GLY A 95 2.997 -20.354 -14.341 1.00 0.00 C ATOM 1362 O GLY A 95 2.326 -21.158 -13.696 1.00 0.00 O ATOM 0 H GLY A 95 1.246 -19.168 -12.915 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.239 -18.829 -15.637 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.291 -18.235 -14.368 1.00 0.00 H new ATOM 1366 N GLY A 96 4.183 -20.655 -14.861 1.00 0.00 N ATOM 1367 CA GLY A 96 4.755 -21.977 -14.689 1.00 0.00 C ATOM 1368 C GLY A 96 6.166 -21.931 -14.137 1.00 0.00 C ATOM 1369 O GLY A 96 7.052 -21.315 -14.730 1.00 0.00 O ATOM 0 H GLY A 96 4.758 -20.006 -15.399 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.124 -22.558 -14.016 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.760 -22.495 -15.648 1.00 0.00 H new ATOM 1373 N SER A 97 6.376 -22.584 -12.998 1.00 0.00 N ATOM 1374 CA SER A 97 7.689 -22.610 -12.364 1.00 0.00 C ATOM 1375 C SER A 97 7.698 -23.563 -11.173 1.00 0.00 C ATOM 1376 O SER A 97 7.034 -23.322 -10.165 1.00 0.00 O ATOM 1377 CB SER A 97 8.087 -21.204 -11.909 1.00 0.00 C ATOM 1378 OG SER A 97 9.344 -21.217 -11.254 1.00 0.00 O ATOM 0 H SER A 97 5.654 -23.101 -12.496 1.00 0.00 H new ATOM 0 HA SER A 97 8.412 -22.966 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.129 -20.538 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.327 -20.807 -11.236 1.00 0.00 H new ATOM 0 HG SER A 97 9.577 -20.307 -10.974 1.00 0.00 H new ATOM 1384 N GLY A 98 8.455 -24.649 -11.297 1.00 0.00 N ATOM 1385 CA GLY A 98 8.536 -25.624 -10.225 1.00 0.00 C ATOM 1386 C GLY A 98 9.699 -26.581 -10.399 1.00 0.00 C ATOM 1387 O GLY A 98 10.092 -26.917 -11.516 1.00 0.00 O ATOM 0 H GLY A 98 9.014 -24.871 -12.121 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.636 -25.104 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.606 -26.191 -10.182 1.00 0.00 H new ATOM 1391 N PRO A 99 10.269 -27.036 -9.273 1.00 0.00 N ATOM 1392 CA PRO A 99 11.403 -27.966 -9.280 1.00 0.00 C ATOM 1393 C PRO A 99 11.007 -29.358 -9.758 1.00 0.00 C ATOM 1394 O PRO A 99 11.758 -30.015 -10.479 1.00 0.00 O ATOM 1395 CB PRO A 99 11.836 -28.007 -7.813 1.00 0.00 C ATOM 1396 CG PRO A 99 10.611 -27.647 -7.045 1.00 0.00 C ATOM 1397 CD PRO A 99 9.852 -26.677 -7.907 1.00 0.00 C ATOM 0 HA PRO A 99 12.190 -27.645 -9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.201 -28.996 -7.536 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.645 -27.303 -7.620 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.011 -28.531 -6.831 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.870 -27.198 -6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.775 -26.780 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.105 -25.644 -7.668 1.00 0.00 H new ATOM 1405 N SER A 100 9.822 -29.804 -9.351 1.00 0.00 N ATOM 1406 CA SER A 100 9.328 -31.121 -9.735 1.00 0.00 C ATOM 1407 C SER A 100 8.341 -31.014 -10.894 1.00 0.00 C ATOM 1408 O SER A 100 7.859 -29.928 -11.216 1.00 0.00 O ATOM 1409 CB SER A 100 8.658 -31.806 -8.542 1.00 0.00 C ATOM 1410 OG SER A 100 8.131 -33.069 -8.909 1.00 0.00 O ATOM 0 H SER A 100 9.187 -29.272 -8.756 1.00 0.00 H new ATOM 0 HA SER A 100 10.179 -31.721 -10.058 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.382 -31.931 -7.737 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.859 -31.173 -8.157 1.00 0.00 H new ATOM 0 HG SER A 100 7.710 -33.487 -8.129 1.00 0.00 H new ATOM 1416 N SER A 101 8.046 -32.150 -11.518 1.00 0.00 N ATOM 1417 CA SER A 101 7.120 -32.185 -12.644 1.00 0.00 C ATOM 1418 C SER A 101 5.680 -32.014 -12.169 1.00 0.00 C ATOM 1419 O SER A 101 4.999 -32.989 -11.852 1.00 0.00 O ATOM 1420 CB SER A 101 7.263 -33.502 -13.409 1.00 0.00 C ATOM 1421 OG SER A 101 6.391 -33.542 -14.525 1.00 0.00 O ATOM 0 H SER A 101 8.435 -33.058 -11.263 1.00 0.00 H new ATOM 0 HA SER A 101 7.366 -31.358 -13.310 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.293 -33.621 -13.744 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.046 -34.338 -12.744 1.00 0.00 H new ATOM 0 HG SER A 101 6.503 -34.393 -14.997 1.00 0.00 H new ATOM 1427 N GLY A 102 5.223 -30.767 -12.122 1.00 0.00 N ATOM 1428 CA GLY A 102 3.867 -30.489 -11.684 1.00 0.00 C ATOM 1429 C GLY A 102 3.008 -29.910 -12.790 1.00 0.00 C ATOM 1430 O GLY A 102 3.247 -30.167 -13.970 1.00 0.00 O ATOM 0 H GLY A 102 5.767 -29.944 -12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.411 -31.409 -11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.895 -29.792 -10.847 1.00 0.00 H new TER 1434 GLY A 102