USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 ALY H2 : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD Set 1.1: A 51 TYR OH : rot -82:sc= 0.00373 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc=-0.00284 F(o=-1.2,f=0.00089) USER MOD Set 2.1: A 1 MET CE :methyl -109:sc= -0.0865 (180deg=-0.495) USER MOD Set 2.2: A 43 HIS : no HD1:sc= -1.14 X(o=-1.2,f=-1.1) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= -1.12! USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= 2.37 (180deg=0.254) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0342 (180deg=-0.205) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= 1.31 (180deg=1.2) USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= 1.1 (180deg=-0.637) USER MOD Single : A 29 GLN : amide:sc= -4.2! C(o=-4.2!,f=-13!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0.285 K(o=0.28,f=-6.8!) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 1.27 (180deg=1.16) USER MOD Single : A 40 MET CE :methyl -156:sc= -2.37! (180deg=-4.57!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.577 USER MOD Single : A 42 THR OG1 : rot -140:sc= -3.71! USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= -0.0389 (180deg=-0.861) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= 1.18 (180deg=0.202) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= -1.26 (180deg=-5.53!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 61:sc= 0.906 USER MOD Single : A 53 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.067) USER MOD Single : A 55 GLN : amide:sc= 0.35 K(o=0.35,f=-0.36) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.22) USER MOD Single : A 61 SER OG : rot -108:sc= -0.796 USER MOD Single : A 69 GLN : amide:sc= -2.43! C(o=-2.4!,f=-2.2!) USER MOD Single : A 74 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.11) USER MOD Single : A 75 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-6.2!) USER MOD Single : A 76 THR OG1 : rot -140:sc= -2.7! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -177:sc= -4.93! (180deg=-4.99!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 95 THR OG1 : rot 42:sc= 0.372 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.001 -1.892 9.680 1.00 0.00 N ATOM 2 CA MET A 1 7.846 -1.460 10.489 1.00 0.00 C ATOM 3 C MET A 1 6.569 -1.586 9.695 1.00 0.00 C ATOM 4 O MET A 1 6.089 -0.602 9.120 1.00 0.00 O ATOM 5 CB MET A 1 8.007 -0.012 10.894 1.00 0.00 C ATOM 6 CG MET A 1 7.023 0.439 11.964 1.00 0.00 C ATOM 7 SD MET A 1 7.181 2.186 12.378 1.00 0.00 S ATOM 8 CE MET A 1 6.671 2.957 10.843 1.00 0.00 C ATOM 0 H1 MET A 1 9.872 -1.799 10.241 1.00 0.00 H new ATOM 0 H2 MET A 1 8.875 -2.885 9.398 1.00 0.00 H new ATOM 0 H3 MET A 1 9.072 -1.297 8.830 1.00 0.00 H new ATOM 0 HA MET A 1 7.799 -2.096 11.373 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.022 0.143 11.259 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.885 0.618 10.013 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.007 0.243 11.621 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.176 -0.157 12.864 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.537 3.406 10.356 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.234 2.205 10.186 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.931 3.730 11.052 1.00 0.00 H new ATOM 18 N SER A 2 6.020 -2.776 9.624 1.00 0.00 N ATOM 19 CA SER A 2 4.797 -2.990 8.882 1.00 0.00 C ATOM 20 C SER A 2 4.113 -4.296 9.268 1.00 0.00 C ATOM 21 O SER A 2 2.966 -4.290 9.714 1.00 0.00 O ATOM 22 CB SER A 2 5.078 -2.913 7.391 1.00 0.00 C ATOM 23 OG SER A 2 5.001 -1.576 6.945 1.00 0.00 O ATOM 0 H SER A 2 6.399 -3.611 10.070 1.00 0.00 H new ATOM 0 HA SER A 2 4.096 -2.197 9.141 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.068 -3.317 7.180 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.360 -3.527 6.847 1.00 0.00 H new ATOM 0 HG SER A 2 5.171 -0.970 7.696 1.00 0.00 H new ATOM 29 N ASP A 3 4.786 -5.423 9.101 1.00 0.00 N ATOM 30 CA ASP A 3 4.199 -6.688 9.531 1.00 0.00 C ATOM 31 C ASP A 3 4.159 -6.711 11.049 1.00 0.00 C ATOM 32 O ASP A 3 3.201 -7.188 11.656 1.00 0.00 O ATOM 33 CB ASP A 3 4.969 -7.908 8.978 1.00 0.00 C ATOM 34 CG ASP A 3 6.320 -8.120 9.628 1.00 0.00 C ATOM 35 OD1 ASP A 3 7.291 -7.457 9.223 1.00 0.00 O ATOM 36 OD2 ASP A 3 6.419 -8.955 10.544 1.00 0.00 O ATOM 0 H ASP A 3 5.714 -5.493 8.683 1.00 0.00 H new ATOM 0 HA ASP A 3 3.188 -6.760 9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.363 -8.803 9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.108 -7.783 7.904 1.00 0.00 H new ATOM 41 N GLN A 4 5.201 -6.147 11.653 1.00 0.00 N ATOM 42 CA GLN A 4 5.322 -6.013 13.094 1.00 0.00 C ATOM 43 C GLN A 4 6.179 -4.799 13.406 1.00 0.00 C ATOM 44 O GLN A 4 6.885 -4.284 12.530 1.00 0.00 O ATOM 45 CB GLN A 4 5.963 -7.261 13.717 1.00 0.00 C ATOM 46 CG GLN A 4 5.117 -8.506 13.623 1.00 0.00 C ATOM 47 CD GLN A 4 5.798 -9.718 14.212 1.00 0.00 C ATOM 48 OE1 GLN A 4 6.586 -9.614 15.147 1.00 0.00 O ATOM 49 NE2 GLN A 4 5.513 -10.869 13.658 1.00 0.00 N ATOM 0 H GLN A 4 5.997 -5.765 11.142 1.00 0.00 H new ATOM 0 HA GLN A 4 4.324 -5.896 13.517 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.919 -7.447 13.227 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.177 -7.060 14.767 1.00 0.00 H new ATOM 0 HG2 GLN A 4 4.172 -8.338 14.140 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.879 -8.700 12.577 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.852 -10.912 12.882 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.952 -11.723 14.002 1.00 0.00 H new ATOM 58 N GLU A 5 6.111 -4.327 14.631 1.00 0.00 N ATOM 59 CA GLU A 5 6.919 -3.207 15.074 1.00 0.00 C ATOM 60 C GLU A 5 7.050 -3.236 16.585 1.00 0.00 C ATOM 61 O GLU A 5 6.208 -3.807 17.280 1.00 0.00 O ATOM 62 CB GLU A 5 6.347 -1.875 14.581 1.00 0.00 C ATOM 63 CG GLU A 5 4.925 -1.598 15.013 1.00 0.00 C ATOM 64 CD GLU A 5 4.345 -0.374 14.324 1.00 0.00 C ATOM 65 OE1 GLU A 5 4.500 0.742 14.852 1.00 0.00 O ATOM 66 OE2 GLU A 5 3.745 -0.524 13.239 1.00 0.00 O ATOM 0 H GLU A 5 5.495 -4.707 15.350 1.00 0.00 H new ATOM 0 HA GLU A 5 7.914 -3.300 14.639 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.985 -1.067 14.939 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.391 -1.857 13.492 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.304 -2.466 14.792 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.897 -1.453 16.093 1.00 0.00 H new ATOM 73 N ALA A 6 8.090 -2.618 17.102 1.00 0.00 N ATOM 74 CA ALA A 6 8.380 -2.682 18.516 1.00 0.00 C ATOM 75 C ALA A 6 8.018 -1.396 19.215 1.00 0.00 C ATOM 76 O ALA A 6 8.877 -0.670 19.724 1.00 0.00 O ATOM 77 CB ALA A 6 9.841 -3.038 18.752 1.00 0.00 C ATOM 0 H ALA A 6 8.752 -2.063 16.560 1.00 0.00 H new ATOM 0 HA ALA A 6 7.762 -3.471 18.944 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.037 -3.081 19.823 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.056 -4.009 18.305 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.478 -2.280 18.297 1.00 0.00 H new ATOM 83 N LYS A 7 6.752 -1.098 19.214 1.00 0.00 N ATOM 84 CA LYS A 7 6.238 0.069 19.874 1.00 0.00 C ATOM 85 C LYS A 7 5.634 -0.316 21.219 1.00 0.00 C ATOM 86 O LYS A 7 5.311 -1.485 21.443 1.00 0.00 O ATOM 87 CB LYS A 7 5.200 0.737 18.983 1.00 0.00 C ATOM 88 CG LYS A 7 5.776 1.738 17.999 1.00 0.00 C ATOM 89 CD LYS A 7 6.725 1.078 17.016 1.00 0.00 C ATOM 90 CE LYS A 7 7.238 2.064 15.993 1.00 0.00 C ATOM 91 NZ LYS A 7 6.127 2.750 15.283 1.00 0.00 N ATOM 0 H LYS A 7 6.040 -1.662 18.751 1.00 0.00 H new ATOM 0 HA LYS A 7 7.049 0.774 20.057 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.664 -0.033 18.428 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.469 1.243 19.613 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.965 2.220 17.454 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.303 2.521 18.544 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.566 0.643 17.557 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.214 0.259 16.509 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.867 2.805 16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.866 1.544 15.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.394 2.907 14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.272 2.159 15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.936 3.665 15.739 1.00 0.00 H new ATOM 105 N PRO A 8 5.486 0.654 22.141 1.00 0.00 N ATOM 106 CA PRO A 8 4.917 0.399 23.467 1.00 0.00 C ATOM 107 C PRO A 8 3.445 0.011 23.394 1.00 0.00 C ATOM 108 O PRO A 8 2.909 -0.614 24.303 1.00 0.00 O ATOM 109 CB PRO A 8 5.091 1.731 24.202 1.00 0.00 C ATOM 110 CG PRO A 8 5.216 2.752 23.127 1.00 0.00 C ATOM 111 CD PRO A 8 5.875 2.065 21.968 1.00 0.00 C ATOM 0 HA PRO A 8 5.408 -0.436 23.967 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.238 1.940 24.847 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.976 1.718 24.838 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.238 3.140 22.844 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.810 3.601 23.465 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.528 2.463 21.015 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.958 2.189 21.990 1.00 0.00 H new ATOM 119 N SER A 9 2.789 0.398 22.316 1.00 0.00 N ATOM 120 CA SER A 9 1.408 0.051 22.090 1.00 0.00 C ATOM 121 C SER A 9 1.127 0.074 20.590 1.00 0.00 C ATOM 122 O SER A 9 0.922 1.138 19.997 1.00 0.00 O ATOM 123 CB SER A 9 0.475 1.021 22.837 1.00 0.00 C ATOM 124 OG SER A 9 -0.868 0.549 22.846 1.00 0.00 O ATOM 0 H SER A 9 3.204 0.962 21.574 1.00 0.00 H new ATOM 0 HA SER A 9 1.218 -0.951 22.475 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.824 1.147 23.862 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.514 2.002 22.364 1.00 0.00 H new ATOM 0 HG SER A 9 -1.435 1.186 23.329 1.00 0.00 H new ATOM 130 N THR A 10 1.160 -1.086 19.969 1.00 0.00 N ATOM 131 CA THR A 10 0.944 -1.184 18.541 1.00 0.00 C ATOM 132 C THR A 10 -0.506 -1.525 18.233 1.00 0.00 C ATOM 133 O THR A 10 -1.068 -2.473 18.790 1.00 0.00 O ATOM 134 CB THR A 10 1.843 -2.252 17.916 1.00 0.00 C ATOM 135 OG1 THR A 10 3.194 -2.088 18.381 1.00 0.00 O ATOM 136 CG2 THR A 10 1.814 -2.159 16.398 1.00 0.00 C ATOM 0 H THR A 10 1.335 -1.977 20.433 1.00 0.00 H new ATOM 0 HA THR A 10 1.190 -0.212 18.114 1.00 0.00 H new ATOM 0 HB THR A 10 1.470 -3.232 18.214 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.764 -2.776 17.979 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.460 -2.928 15.974 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.794 -2.307 16.044 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.167 -1.176 16.087 1.00 0.00 H new ATOM 144 N GLU A 11 -1.102 -0.758 17.340 1.00 0.00 N ATOM 145 CA GLU A 11 -2.482 -0.960 16.926 1.00 0.00 C ATOM 146 C GLU A 11 -2.844 0.014 15.816 1.00 0.00 C ATOM 147 O GLU A 11 -2.251 1.094 15.702 1.00 0.00 O ATOM 148 CB GLU A 11 -3.453 -0.768 18.109 1.00 0.00 C ATOM 149 CG GLU A 11 -3.428 0.629 18.714 1.00 0.00 C ATOM 150 CD GLU A 11 -4.451 0.808 19.813 1.00 0.00 C ATOM 151 OE1 GLU A 11 -4.136 0.491 20.981 1.00 0.00 O ATOM 152 OE2 GLU A 11 -5.571 1.283 19.520 1.00 0.00 O ATOM 0 H GLU A 11 -0.643 0.027 16.878 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.574 -1.983 16.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.466 -0.989 17.773 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.210 -1.493 18.886 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.434 0.830 19.113 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.611 1.363 17.930 1.00 0.00 H new ATOM 159 N ASP A 12 -3.798 -0.369 14.988 1.00 0.00 N ATOM 160 CA ASP A 12 -4.313 0.515 13.950 1.00 0.00 C ATOM 161 C ASP A 12 -5.459 1.296 14.560 1.00 0.00 C ATOM 162 O ASP A 12 -5.570 1.349 15.786 1.00 0.00 O ATOM 163 CB ASP A 12 -4.793 -0.292 12.738 1.00 0.00 C ATOM 164 CG ASP A 12 -3.714 -1.200 12.178 1.00 0.00 C ATOM 165 OD1 ASP A 12 -2.743 -0.688 11.579 1.00 0.00 O ATOM 166 OD2 ASP A 12 -3.826 -2.432 12.341 1.00 0.00 O ATOM 0 H ASP A 12 -4.236 -1.290 15.012 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.532 1.188 13.596 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.656 -0.893 13.025 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.127 0.393 11.959 1.00 0.00 H new ATOM 171 N LEU A 13 -6.325 1.912 13.765 1.00 0.00 N ATOM 172 CA LEU A 13 -7.438 2.634 14.339 1.00 0.00 C ATOM 173 C LEU A 13 -8.388 1.666 15.041 1.00 0.00 C ATOM 174 O LEU A 13 -8.642 1.777 16.243 1.00 0.00 O ATOM 175 CB LEU A 13 -8.189 3.399 13.251 1.00 0.00 C ATOM 176 CG LEU A 13 -9.353 4.233 13.750 1.00 0.00 C ATOM 177 CD1 LEU A 13 -8.855 5.505 14.413 1.00 0.00 C ATOM 178 CD2 LEU A 13 -10.334 4.543 12.633 1.00 0.00 C ATOM 0 H LEU A 13 -6.276 1.924 12.746 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.052 3.345 15.069 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.486 4.053 12.735 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.560 2.686 12.515 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.888 3.647 14.498 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.706 6.089 14.764 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.217 5.249 15.259 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.285 6.091 13.693 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.155 5.142 13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.825 5.098 11.845 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.727 3.612 12.225 1.00 0.00 H new ATOM 190 N GLY A 14 -8.920 0.720 14.288 1.00 0.00 N ATOM 191 CA GLY A 14 -9.801 -0.268 14.864 1.00 0.00 C ATOM 192 C GLY A 14 -11.243 0.097 14.712 1.00 0.00 C ATOM 193 O GLY A 14 -12.078 -0.281 15.536 1.00 0.00 O ATOM 0 H GLY A 14 -8.757 0.619 13.286 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.621 -1.232 14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.568 -0.386 15.922 1.00 0.00 H new ATOM 197 N ASP A 15 -11.541 0.862 13.670 1.00 0.00 N ATOM 198 CA ASP A 15 -12.902 1.288 13.363 1.00 0.00 C ATOM 199 C ASP A 15 -13.408 2.236 14.435 1.00 0.00 C ATOM 200 O ASP A 15 -14.363 1.950 15.159 1.00 0.00 O ATOM 201 CB ASP A 15 -13.854 0.092 13.205 1.00 0.00 C ATOM 202 CG ASP A 15 -15.176 0.469 12.547 1.00 0.00 C ATOM 203 OD1 ASP A 15 -15.227 0.513 11.299 1.00 0.00 O ATOM 204 OD2 ASP A 15 -16.170 0.715 13.264 1.00 0.00 O ATOM 0 H ASP A 15 -10.843 1.206 13.011 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.879 1.811 12.407 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.365 -0.679 12.610 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.052 -0.340 14.186 1.00 0.00 H new ATOM 209 N LYS A 16 -12.722 3.346 14.579 1.00 0.00 N ATOM 210 CA LYS A 16 -13.102 4.351 15.545 1.00 0.00 C ATOM 211 C LYS A 16 -14.335 5.107 15.065 1.00 0.00 C ATOM 212 O LYS A 16 -14.402 5.545 13.914 1.00 0.00 O ATOM 213 CB LYS A 16 -11.943 5.296 15.810 1.00 0.00 C ATOM 214 CG LYS A 16 -12.146 6.218 17.006 1.00 0.00 C ATOM 215 CD LYS A 16 -10.875 6.989 17.345 1.00 0.00 C ATOM 216 CE LYS A 16 -9.764 6.072 17.859 1.00 0.00 C ATOM 217 NZ LYS A 16 -10.138 5.390 19.125 1.00 0.00 N ATOM 0 H LYS A 16 -11.891 3.577 14.035 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.354 3.860 16.485 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.039 4.708 15.969 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.775 5.905 14.921 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.952 6.920 16.792 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.457 5.631 17.870 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.526 7.519 16.459 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.100 7.743 18.099 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.533 5.324 17.100 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.858 6.656 18.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.292 4.959 19.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.543 6.083 19.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.841 4.650 18.926 1.00 0.00 H new ATOM 231 N LYS A 17 -15.312 5.263 15.948 1.00 0.00 N ATOM 232 CA LYS A 17 -16.585 5.888 15.590 1.00 0.00 C ATOM 233 C LYS A 17 -16.469 7.394 15.467 1.00 0.00 C ATOM 234 O LYS A 17 -17.325 8.051 14.876 1.00 0.00 O ATOM 235 CB LYS A 17 -17.660 5.550 16.630 1.00 0.00 C ATOM 236 CG LYS A 17 -17.497 6.315 17.943 1.00 0.00 C ATOM 237 CD LYS A 17 -18.544 5.924 18.968 1.00 0.00 C ATOM 238 CE LYS A 17 -18.312 4.519 19.480 1.00 0.00 C ATOM 239 NZ LYS A 17 -19.266 4.156 20.557 1.00 0.00 N ATOM 0 H LYS A 17 -15.250 4.965 16.922 1.00 0.00 H new ATOM 0 HA LYS A 17 -16.869 5.488 14.617 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -18.642 5.768 16.211 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.632 4.480 16.836 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -16.504 6.126 18.351 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.564 7.385 17.748 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.520 6.626 19.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.536 5.992 18.522 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -18.409 3.812 18.656 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.292 4.433 19.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -19.073 3.186 20.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.156 4.814 21.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -20.239 4.212 20.193 1.00 0.00 H new ATOM 253 N GLU A 18 -15.421 7.940 16.005 1.00 0.00 N ATOM 254 CA GLU A 18 -15.267 9.377 16.037 1.00 0.00 C ATOM 255 C GLU A 18 -13.875 9.799 15.590 1.00 0.00 C ATOM 256 O GLU A 18 -12.892 9.074 15.772 1.00 0.00 O ATOM 257 CB GLU A 18 -15.548 9.894 17.441 1.00 0.00 C ATOM 258 CG GLU A 18 -14.451 9.575 18.423 1.00 0.00 C ATOM 259 CD GLU A 18 -14.721 10.123 19.797 1.00 0.00 C ATOM 260 OE1 GLU A 18 -15.671 9.651 20.455 1.00 0.00 O ATOM 261 OE2 GLU A 18 -13.990 11.041 20.229 1.00 0.00 O ATOM 0 H GLU A 18 -14.655 7.418 16.430 1.00 0.00 H new ATOM 0 HA GLU A 18 -15.984 9.811 15.340 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.688 10.974 17.402 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -16.483 9.464 17.799 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.329 8.494 18.486 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.509 9.981 18.053 1.00 0.00 H new ATOM 268 N GLY A 19 -13.800 10.963 15.000 1.00 0.00 N ATOM 269 CA GLY A 19 -12.546 11.483 14.525 1.00 0.00 C ATOM 270 C GLY A 19 -12.455 11.342 13.029 1.00 0.00 C ATOM 271 O GLY A 19 -13.253 10.621 12.422 1.00 0.00 O ATOM 0 H GLY A 19 -14.601 11.573 14.836 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.450 12.532 14.805 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.721 10.950 14.998 1.00 0.00 H new ATOM 275 N GLU A 20 -11.517 12.025 12.408 1.00 0.00 N ATOM 276 CA GLU A 20 -11.371 11.926 10.975 1.00 0.00 C ATOM 277 C GLU A 20 -10.669 10.630 10.589 1.00 0.00 C ATOM 278 O GLU A 20 -9.600 10.295 11.108 1.00 0.00 O ATOM 279 CB GLU A 20 -10.650 13.144 10.389 1.00 0.00 C ATOM 280 CG GLU A 20 -9.263 13.385 10.941 1.00 0.00 C ATOM 281 CD GLU A 20 -8.562 14.518 10.231 1.00 0.00 C ATOM 282 OE1 GLU A 20 -8.950 15.681 10.430 1.00 0.00 O ATOM 283 OE2 GLU A 20 -7.629 14.248 9.451 1.00 0.00 O ATOM 0 H GLU A 20 -10.852 12.647 12.868 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.372 11.910 10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.580 13.022 9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.257 14.031 10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.330 13.610 12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.671 12.475 10.845 1.00 0.00 H new ATOM 290 N TYR A 21 -11.282 9.897 9.696 1.00 0.00 N ATOM 291 CA TYR A 21 -10.745 8.637 9.229 1.00 0.00 C ATOM 292 C TYR A 21 -10.857 8.566 7.719 1.00 0.00 C ATOM 293 O TYR A 21 -11.433 9.458 7.086 1.00 0.00 O ATOM 294 CB TYR A 21 -11.490 7.455 9.878 1.00 0.00 C ATOM 295 CG TYR A 21 -12.952 7.351 9.484 1.00 0.00 C ATOM 296 CD1 TYR A 21 -13.922 8.121 10.117 1.00 0.00 C ATOM 297 CD2 TYR A 21 -13.360 6.485 8.475 1.00 0.00 C ATOM 298 CE1 TYR A 21 -15.251 8.030 9.756 1.00 0.00 C ATOM 299 CE2 TYR A 21 -14.686 6.389 8.110 1.00 0.00 C ATOM 300 CZ TYR A 21 -15.627 7.163 8.753 1.00 0.00 C ATOM 301 OH TYR A 21 -16.950 7.068 8.391 1.00 0.00 O ATOM 0 H TYR A 21 -12.171 10.155 9.268 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.695 8.573 9.514 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.985 6.528 9.606 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.423 7.549 10.962 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.631 8.801 10.904 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.625 5.877 7.968 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -15.992 8.635 10.257 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -14.985 5.711 7.325 1.00 0.00 H new ATOM 0 HH TYR A 21 -17.045 6.413 7.669 1.00 0.00 H new ATOM 311 N ILE A 22 -10.317 7.523 7.133 1.00 0.00 N ATOM 312 CA ILE A 22 -10.353 7.353 5.697 1.00 0.00 C ATOM 313 C ILE A 22 -10.320 5.872 5.322 1.00 0.00 C ATOM 314 O ILE A 22 -9.645 5.078 5.943 1.00 0.00 O ATOM 315 CB ILE A 22 -9.185 8.135 5.004 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.834 7.539 3.636 1.00 0.00 C ATOM 317 CG2 ILE A 22 -7.957 8.193 5.899 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.853 8.371 2.842 1.00 0.00 C ATOM 0 H ILE A 22 -9.843 6.772 7.634 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.292 7.771 5.335 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.534 9.154 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.417 6.542 3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.749 7.421 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.163 8.741 5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.210 8.699 6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.617 7.180 6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.654 7.885 1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.275 9.360 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.922 8.468 3.401 1.00 0.00 H new ATOM 330 N LYS A 23 -11.093 5.499 4.329 1.00 0.00 N ATOM 331 CA LYS A 23 -11.111 4.126 3.858 1.00 0.00 C ATOM 332 C LYS A 23 -10.330 4.032 2.558 1.00 0.00 C ATOM 333 O LYS A 23 -10.329 4.965 1.772 1.00 0.00 O ATOM 334 CB LYS A 23 -12.560 3.659 3.642 1.00 0.00 C ATOM 335 CG LYS A 23 -13.333 4.511 2.644 1.00 0.00 C ATOM 336 CD LYS A 23 -14.778 4.057 2.488 1.00 0.00 C ATOM 337 CE LYS A 23 -14.878 2.639 1.944 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.274 2.283 1.595 1.00 0.00 N ATOM 0 H LYS A 23 -11.721 6.127 3.827 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.648 3.481 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.552 2.626 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.083 3.670 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.315 5.551 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.836 4.471 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.280 4.110 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.301 4.739 1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.246 2.543 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.498 1.937 2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.390 1.250 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.926 2.734 2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.487 2.615 0.632 1.00 0.00 H new ATOM 352 N LEU A 24 -9.640 2.936 2.341 1.00 0.00 N ATOM 353 CA LEU A 24 -8.892 2.753 1.099 1.00 0.00 C ATOM 354 C LEU A 24 -9.064 1.350 0.564 1.00 0.00 C ATOM 355 O LEU A 24 -9.324 0.410 1.318 1.00 0.00 O ATOM 356 CB LEU A 24 -7.405 3.048 1.307 1.00 0.00 C ATOM 357 CG LEU A 24 -7.033 4.511 1.545 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.552 4.637 1.813 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.431 5.370 0.351 1.00 0.00 C ATOM 0 H LEU A 24 -9.575 2.158 2.997 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.292 3.458 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.056 2.463 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.860 2.694 0.432 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.579 4.867 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.300 5.684 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.291 4.055 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.994 4.263 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.157 6.408 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.913 5.016 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.508 5.302 0.196 1.00 0.00 H new ATOM 371 N LYS A 25 -8.937 1.197 -0.741 1.00 0.00 N ATOM 372 CA LYS A 25 -9.028 -0.100 -1.356 1.00 0.00 C ATOM 373 C LYS A 25 -7.806 -0.367 -2.206 1.00 0.00 C ATOM 374 O LYS A 25 -7.357 0.482 -2.982 1.00 0.00 O ATOM 375 CB LYS A 25 -10.345 -0.244 -2.167 1.00 0.00 C ATOM 376 CG LYS A 25 -10.383 -1.400 -3.192 1.00 0.00 C ATOM 377 CD LYS A 25 -9.817 -0.971 -4.540 1.00 0.00 C ATOM 378 CE LYS A 25 -10.477 -1.695 -5.706 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.949 -1.487 -5.746 1.00 0.00 N ATOM 0 H LYS A 25 -8.770 1.964 -1.393 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.056 -0.856 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.168 -0.379 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.527 0.691 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.812 -2.246 -2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.410 -1.741 -3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.951 0.104 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.744 -1.163 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.039 -1.346 -6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.266 -2.762 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.276 -1.512 -6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.421 -2.240 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.181 -0.563 -5.328 1.00 0.00 H new ATOM 393 N VAL A 26 -7.254 -1.535 -2.046 1.00 0.00 N ATOM 394 CA VAL A 26 -6.110 -1.945 -2.805 1.00 0.00 C ATOM 395 C VAL A 26 -6.556 -2.914 -3.876 1.00 0.00 C ATOM 396 O VAL A 26 -7.256 -3.886 -3.589 1.00 0.00 O ATOM 397 CB VAL A 26 -5.035 -2.597 -1.900 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.889 -3.159 -2.729 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.518 -1.584 -0.893 1.00 0.00 C ATOM 0 H VAL A 26 -7.587 -2.233 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.657 -1.066 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.496 -3.426 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.149 -3.611 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.272 -3.915 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.424 -2.355 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.763 -2.052 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.077 -0.739 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.343 -1.234 -0.273 1.00 0.00 H new ATOM 409 N ILE A 27 -6.181 -2.648 -5.105 1.00 0.00 N ATOM 410 CA ILE A 27 -6.576 -3.486 -6.208 1.00 0.00 C ATOM 411 C ILE A 27 -5.347 -3.955 -6.971 1.00 0.00 C ATOM 412 O ILE A 27 -4.328 -3.275 -7.002 1.00 0.00 O ATOM 413 CB ILE A 27 -7.555 -2.741 -7.167 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.189 -3.721 -8.159 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.846 -1.609 -7.906 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.217 -3.090 -9.074 1.00 0.00 C ATOM 0 H ILE A 27 -5.599 -1.852 -5.365 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.100 -4.352 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.348 -2.301 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.402 -4.168 -8.767 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.661 -4.531 -7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.553 -1.107 -8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.453 -0.893 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.025 -2.017 -8.495 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.620 -3.848 -9.746 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.025 -2.668 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.747 -2.299 -9.659 1.00 0.00 H new ATOM 428 N GLY A 28 -5.427 -5.133 -7.538 1.00 0.00 N ATOM 429 CA GLY A 28 -4.335 -5.650 -8.319 1.00 0.00 C ATOM 430 C GLY A 28 -4.790 -6.056 -9.690 1.00 0.00 C ATOM 431 O GLY A 28 -5.991 -6.183 -9.931 1.00 0.00 O ATOM 0 H GLY A 28 -6.237 -5.750 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.554 -4.894 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.895 -6.508 -7.810 1.00 0.00 H new ATOM 435 N GLN A 29 -3.846 -6.287 -10.599 1.00 0.00 N ATOM 436 CA GLN A 29 -4.185 -6.694 -11.970 1.00 0.00 C ATOM 437 C GLN A 29 -4.896 -8.051 -11.981 1.00 0.00 C ATOM 438 O GLN A 29 -5.465 -8.464 -12.985 1.00 0.00 O ATOM 439 CB GLN A 29 -2.934 -6.764 -12.864 1.00 0.00 C ATOM 440 CG GLN A 29 -2.090 -8.025 -12.677 1.00 0.00 C ATOM 441 CD GLN A 29 -1.146 -7.954 -11.498 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.009 -7.537 -11.636 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.601 -8.383 -10.339 1.00 0.00 N ATOM 0 H GLN A 29 -2.846 -6.202 -10.418 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.857 -5.935 -12.370 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.244 -6.701 -13.907 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.311 -5.892 -12.664 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.754 -8.880 -12.549 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.512 -8.203 -13.584 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.559 -8.725 -10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.996 -8.373 -9.518 1.00 0.00 H new ATOM 452 N ASP A 30 -4.868 -8.741 -10.847 1.00 0.00 N ATOM 453 CA ASP A 30 -5.483 -10.052 -10.725 1.00 0.00 C ATOM 454 C ASP A 30 -6.970 -9.909 -10.389 1.00 0.00 C ATOM 455 O ASP A 30 -7.649 -10.884 -10.072 1.00 0.00 O ATOM 456 CB ASP A 30 -4.755 -10.867 -9.640 1.00 0.00 C ATOM 457 CG ASP A 30 -5.110 -12.339 -9.668 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.873 -12.987 -10.705 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.618 -12.859 -8.656 1.00 0.00 O ATOM 0 H ASP A 30 -4.421 -8.408 -9.993 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.398 -10.579 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.679 -10.756 -9.771 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.001 -10.458 -8.660 1.00 0.00 H new ATOM 464 N SER A 31 -7.468 -8.660 -10.472 1.00 0.00 N ATOM 465 CA SER A 31 -8.867 -8.318 -10.177 1.00 0.00 C ATOM 466 C SER A 31 -9.156 -8.430 -8.682 1.00 0.00 C ATOM 467 O SER A 31 -10.304 -8.379 -8.241 1.00 0.00 O ATOM 468 CB SER A 31 -9.830 -9.186 -10.992 1.00 0.00 C ATOM 469 OG SER A 31 -9.542 -9.084 -12.383 1.00 0.00 O ATOM 0 H SER A 31 -6.904 -7.856 -10.748 1.00 0.00 H new ATOM 0 HA SER A 31 -9.026 -7.280 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.749 -10.225 -10.674 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.857 -8.874 -10.804 1.00 0.00 H new ATOM 0 HG SER A 31 -10.166 -9.646 -12.888 1.00 0.00 H new ATOM 475 N SER A 32 -8.100 -8.566 -7.904 1.00 0.00 N ATOM 476 CA SER A 32 -8.210 -8.658 -6.470 1.00 0.00 C ATOM 477 C SER A 32 -8.400 -7.268 -5.862 1.00 0.00 C ATOM 478 O SER A 32 -7.697 -6.325 -6.217 1.00 0.00 O ATOM 479 CB SER A 32 -6.952 -9.318 -5.906 1.00 0.00 C ATOM 480 OG SER A 32 -6.723 -10.578 -6.523 1.00 0.00 O ATOM 0 H SER A 32 -7.143 -8.615 -8.253 1.00 0.00 H new ATOM 0 HA SER A 32 -9.079 -9.265 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.092 -8.668 -6.066 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.056 -9.449 -4.829 1.00 0.00 H new ATOM 0 HG SER A 32 -5.913 -10.983 -6.149 1.00 0.00 H new ATOM 486 N GLU A 33 -9.352 -7.148 -4.953 1.00 0.00 N ATOM 487 CA GLU A 33 -9.610 -5.884 -4.302 1.00 0.00 C ATOM 488 C GLU A 33 -9.916 -6.050 -2.831 1.00 0.00 C ATOM 489 O GLU A 33 -10.794 -6.816 -2.431 1.00 0.00 O ATOM 490 CB GLU A 33 -10.707 -5.087 -4.998 1.00 0.00 C ATOM 491 CG GLU A 33 -12.084 -5.707 -4.980 1.00 0.00 C ATOM 492 CD GLU A 33 -13.129 -4.724 -5.446 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.309 -3.683 -4.771 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.765 -4.969 -6.491 1.00 0.00 O ATOM 0 H GLU A 33 -9.957 -7.912 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.687 -5.311 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.766 -4.103 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.413 -4.931 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.098 -6.588 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.321 -6.044 -3.971 1.00 0.00 H new ATOM 501 N ILE A 34 -9.179 -5.328 -2.022 1.00 0.00 N ATOM 502 CA ILE A 34 -9.347 -5.358 -0.586 1.00 0.00 C ATOM 503 C ILE A 34 -9.659 -3.969 -0.064 1.00 0.00 C ATOM 504 O ILE A 34 -9.014 -2.993 -0.440 1.00 0.00 O ATOM 505 CB ILE A 34 -8.087 -5.906 0.121 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.831 -5.203 -0.411 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.990 -7.415 -0.066 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.544 -5.655 0.239 1.00 0.00 C ATOM 0 H ILE A 34 -8.442 -4.699 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.180 -6.026 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.164 -5.701 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.761 -5.373 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.941 -4.128 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.098 -7.787 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.873 -7.892 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.930 -7.647 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.706 -5.109 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.589 -5.459 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.407 -6.723 0.071 1.00 0.00 H new ATOM 520 N HIS A 35 -10.666 -3.869 0.773 1.00 0.00 N ATOM 521 CA HIS A 35 -11.073 -2.588 1.333 1.00 0.00 C ATOM 522 C HIS A 35 -10.709 -2.538 2.809 1.00 0.00 C ATOM 523 O HIS A 35 -11.084 -3.423 3.576 1.00 0.00 O ATOM 524 CB HIS A 35 -12.598 -2.376 1.174 1.00 0.00 C ATOM 525 CG HIS A 35 -13.117 -2.392 -0.244 1.00 0.00 C ATOM 526 ND1 HIS A 35 -14.170 -1.608 -0.666 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.751 -3.125 -1.324 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.427 -1.860 -1.934 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.581 -2.773 -2.355 1.00 0.00 N ATOM 0 H HIS A 35 -11.226 -4.662 1.087 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.553 -1.796 0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.115 -3.151 1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.863 -1.421 1.628 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.953 -3.852 -1.364 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.201 -1.395 -2.526 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.548 -3.158 -3.299 1.00 0.00 H new ATOM 538 N PHE A 36 -9.978 -1.520 3.214 1.00 0.00 N ATOM 539 CA PHE A 36 -9.576 -1.386 4.608 1.00 0.00 C ATOM 540 C PHE A 36 -9.847 0.007 5.134 1.00 0.00 C ATOM 541 O PHE A 36 -9.973 0.971 4.368 1.00 0.00 O ATOM 542 CB PHE A 36 -8.093 -1.722 4.788 1.00 0.00 C ATOM 543 CG PHE A 36 -7.786 -3.191 4.762 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.926 -3.955 5.907 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.355 -3.807 3.600 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.644 -5.307 5.895 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.069 -5.158 3.584 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.213 -5.908 4.732 1.00 0.00 C ATOM 0 H PHE A 36 -9.648 -0.773 2.603 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.174 -2.095 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.523 -1.229 4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.751 -1.308 5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.260 -3.488 6.822 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.241 -3.226 2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.761 -5.892 6.795 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.732 -5.627 2.672 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.988 -6.964 4.720 1.00 0.00 H new ATOM 558 N LYS A 37 -9.940 0.117 6.443 1.00 0.00 N ATOM 559 CA LYS A 37 -10.157 1.389 7.091 1.00 0.00 C ATOM 560 C LYS A 37 -8.874 1.875 7.711 1.00 0.00 C ATOM 561 O LYS A 37 -8.261 1.188 8.532 1.00 0.00 O ATOM 562 CB LYS A 37 -11.241 1.280 8.144 1.00 0.00 C ATOM 563 CG LYS A 37 -11.466 2.570 8.920 1.00 0.00 C ATOM 564 CD LYS A 37 -12.768 2.532 9.681 1.00 0.00 C ATOM 565 CE LYS A 37 -13.939 2.471 8.725 1.00 0.00 C ATOM 566 NZ LYS A 37 -15.238 2.416 9.441 1.00 0.00 N ATOM 0 H LYS A 37 -9.867 -0.673 7.085 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.485 2.108 6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.175 0.987 7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.979 0.486 8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.641 2.728 9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.469 3.415 8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.785 1.665 10.342 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.853 3.416 10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.921 3.344 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.840 1.594 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.959 1.995 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.137 1.836 10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.529 3.379 9.706 1.00 0.00 H new ATOM 580 N VAL A 38 -8.469 3.061 7.339 1.00 0.00 N ATOM 581 CA VAL A 38 -7.215 3.603 7.780 1.00 0.00 C ATOM 582 C VAL A 38 -7.394 4.996 8.377 1.00 0.00 C ATOM 583 O VAL A 38 -8.492 5.563 8.363 1.00 0.00 O ATOM 584 CB VAL A 38 -6.209 3.649 6.602 1.00 0.00 C ATOM 585 CG1 VAL A 38 -6.066 2.269 5.995 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.635 4.658 5.539 1.00 0.00 C ATOM 0 H VAL A 38 -9.000 3.676 6.722 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.821 2.951 8.560 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.244 3.973 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.358 2.307 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.702 1.574 6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.035 1.931 5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.906 4.663 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.613 4.381 5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.691 5.652 5.983 1.00 0.00 H new HETATM 596 OH ALY A 39 -5.277 10.062 11.720 1.00 0.00 O HETATM 597 CH ALY A 39 -4.164 10.080 12.248 1.00 0.00 C HETATM 598 CH3 ALY A 39 -3.487 11.365 12.618 1.00 0.00 C HETATM 599 NZ ALY A 39 -3.490 8.973 12.504 1.00 0.00 N HETATM 600 CE ALY A 39 -4.068 7.817 13.182 1.00 0.00 C HETATM 601 CD ALY A 39 -3.783 6.522 12.437 1.00 0.00 C HETATM 602 CG ALY A 39 -4.270 6.584 10.991 1.00 0.00 C HETATM 603 CB ALY A 39 -5.764 6.880 10.911 1.00 0.00 C HETATM 604 CA ALY A 39 -6.358 6.859 9.485 1.00 0.00 C HETATM 605 N ALY A 39 -6.332 5.531 8.932 1.00 0.00 N HETATM 606 C ALY A 39 -5.608 7.798 8.549 1.00 0.00 C HETATM 607 O ALY A 39 -5.318 7.442 7.408 1.00 0.00 O HETATM 0 HH33 ALY A 39 -3.344 11.972 11.724 1.00 0.00 H new HETATM 0 HH32 ALY A 39 -4.106 11.910 13.331 1.00 0.00 H new HETATM 0 HH31 ALY A 39 -2.518 11.149 13.069 1.00 0.00 H new HETATM 0 HZ ALY A 39 -2.514 8.924 12.212 1.00 0.00 H new HETATM 0 HG3 ALY A 39 -4.060 5.636 10.495 1.00 0.00 H new HETATM 0 HG2 ALY A 39 -3.717 7.354 10.454 1.00 0.00 H new HETATM 0 HE3 ALY A 39 -5.145 7.952 13.276 1.00 0.00 H new HETATM 0 HE2 ALY A 39 -3.666 7.750 14.193 1.00 0.00 H new HETATM 0 HD3 ALY A 39 -4.270 5.692 12.950 1.00 0.00 H new HETATM 0 HD2 ALY A 39 -2.712 6.322 12.452 1.00 0.00 H new HETATM 0 HCA ALY A 39 -7.391 7.197 9.572 1.00 0.00 H new HETATM 0 HB3 ALY A 39 -5.949 7.860 11.351 1.00 0.00 H new HETATM 0 HB2 ALY A 39 -6.297 6.151 11.521 1.00 0.00 H new HETATM 0 H ALY A 39 -5.953 4.758 9.479 1.00 0.00 H new ATOM 622 N MET A 40 -5.249 8.964 9.023 1.00 0.00 N ATOM 623 CA MET A 40 -4.617 9.954 8.170 1.00 0.00 C ATOM 624 C MET A 40 -3.161 9.573 7.886 1.00 0.00 C ATOM 625 O MET A 40 -2.686 9.667 6.757 1.00 0.00 O ATOM 626 CB MET A 40 -4.701 11.341 8.825 1.00 0.00 C ATOM 627 CG MET A 40 -4.246 12.504 7.949 1.00 0.00 C ATOM 628 SD MET A 40 -5.509 13.097 6.771 1.00 0.00 S ATOM 629 CE MET A 40 -5.737 11.688 5.684 1.00 0.00 C ATOM 0 H MET A 40 -5.380 9.256 9.991 1.00 0.00 H new ATOM 0 HA MET A 40 -5.146 9.986 7.218 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.732 11.519 9.130 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.097 11.333 9.733 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.948 13.333 8.592 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.361 12.199 7.391 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.120 12.029 4.722 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.782 11.184 5.536 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.448 10.994 6.132 1.00 0.00 H new ATOM 639 N THR A 41 -2.469 9.113 8.907 1.00 0.00 N ATOM 640 CA THR A 41 -1.064 8.758 8.779 1.00 0.00 C ATOM 641 C THR A 41 -0.821 7.241 8.735 1.00 0.00 C ATOM 642 O THR A 41 0.245 6.767 9.122 1.00 0.00 O ATOM 643 CB THR A 41 -0.252 9.376 9.924 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.850 9.025 11.184 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.212 10.890 9.780 1.00 0.00 C ATOM 0 H THR A 41 -2.855 8.974 9.841 1.00 0.00 H new ATOM 0 HA THR A 41 -0.734 9.162 7.822 1.00 0.00 H new ATOM 0 HB THR A 41 0.767 8.990 9.885 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.329 9.419 11.914 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.367 11.318 10.598 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.253 11.153 8.830 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.227 11.285 9.809 1.00 0.00 H new ATOM 653 N THR A 42 -1.788 6.478 8.246 1.00 0.00 N ATOM 654 CA THR A 42 -1.613 5.035 8.141 1.00 0.00 C ATOM 655 C THR A 42 -0.604 4.673 7.056 1.00 0.00 C ATOM 656 O THR A 42 -0.882 4.812 5.866 1.00 0.00 O ATOM 657 CB THR A 42 -2.941 4.310 7.847 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.843 4.503 8.931 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.712 2.815 7.653 1.00 0.00 C ATOM 0 H THR A 42 -2.689 6.826 7.920 1.00 0.00 H new ATOM 0 HA THR A 42 -1.239 4.705 9.110 1.00 0.00 H new ATOM 0 HB THR A 42 -3.361 4.726 6.931 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.329 3.670 9.104 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.664 2.325 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.033 2.657 6.815 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.275 2.393 8.558 1.00 0.00 H new ATOM 667 N HIS A 43 0.586 4.248 7.467 1.00 0.00 N ATOM 668 CA HIS A 43 1.580 3.757 6.519 1.00 0.00 C ATOM 669 C HIS A 43 1.008 2.554 5.768 1.00 0.00 C ATOM 670 O HIS A 43 0.845 1.466 6.323 1.00 0.00 O ATOM 671 CB HIS A 43 2.926 3.413 7.221 1.00 0.00 C ATOM 672 CG HIS A 43 2.831 2.417 8.354 1.00 0.00 C ATOM 673 ND1 HIS A 43 3.922 1.745 8.862 1.00 0.00 N ATOM 674 CD2 HIS A 43 1.772 2.003 9.084 1.00 0.00 C ATOM 675 CE1 HIS A 43 3.531 0.965 9.854 1.00 0.00 C ATOM 676 NE2 HIS A 43 2.233 1.105 10.008 1.00 0.00 N ATOM 0 H HIS A 43 0.884 4.233 8.442 1.00 0.00 H new ATOM 0 HA HIS A 43 1.804 4.546 5.802 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.616 3.022 6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.361 4.335 7.606 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.748 2.323 8.961 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.170 0.321 10.440 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.663 0.623 10.703 1.00 0.00 H new ATOM 685 N LEU A 44 0.698 2.754 4.509 1.00 0.00 N ATOM 686 CA LEU A 44 0.021 1.743 3.702 1.00 0.00 C ATOM 687 C LEU A 44 0.870 0.521 3.457 1.00 0.00 C ATOM 688 O LEU A 44 0.358 -0.521 3.067 1.00 0.00 O ATOM 689 CB LEU A 44 -0.460 2.330 2.391 1.00 0.00 C ATOM 690 CG LEU A 44 -1.536 3.398 2.516 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.946 3.891 1.150 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.741 2.861 3.277 1.00 0.00 C ATOM 0 H LEU A 44 0.904 3.618 4.007 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.842 1.415 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.395 2.758 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.843 1.522 1.768 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.126 4.237 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.717 4.655 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.081 4.316 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.338 3.059 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.499 3.641 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.155 2.004 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.433 2.553 4.276 1.00 0.00 H new ATOM 704 N LYS A 45 2.160 0.633 3.672 1.00 0.00 N ATOM 705 CA LYS A 45 3.045 -0.510 3.544 1.00 0.00 C ATOM 706 C LYS A 45 2.590 -1.627 4.488 1.00 0.00 C ATOM 707 O LYS A 45 2.673 -2.812 4.164 1.00 0.00 O ATOM 708 CB LYS A 45 4.486 -0.089 3.827 1.00 0.00 C ATOM 709 CG LYS A 45 5.462 -1.242 4.045 1.00 0.00 C ATOM 710 CD LYS A 45 5.524 -2.177 2.858 1.00 0.00 C ATOM 711 CE LYS A 45 6.312 -1.586 1.704 1.00 0.00 C ATOM 712 NZ LYS A 45 7.759 -1.473 2.024 1.00 0.00 N ATOM 0 H LYS A 45 2.624 1.502 3.936 1.00 0.00 H new ATOM 0 HA LYS A 45 3.003 -0.893 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.842 0.517 2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.496 0.548 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.456 -0.841 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.165 -1.803 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.980 -3.119 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.512 -2.406 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.183 -2.209 0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.916 -0.600 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.054 -0.479 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.928 -1.812 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.309 -2.049 1.355 1.00 0.00 H new ATOM 726 N LYS A 46 2.064 -1.235 5.642 1.00 0.00 N ATOM 727 CA LYS A 46 1.560 -2.176 6.624 1.00 0.00 C ATOM 728 C LYS A 46 0.354 -2.929 6.049 1.00 0.00 C ATOM 729 O LYS A 46 0.166 -4.123 6.303 1.00 0.00 O ATOM 730 CB LYS A 46 1.182 -1.416 7.917 1.00 0.00 C ATOM 731 CG LYS A 46 0.756 -2.284 9.103 1.00 0.00 C ATOM 732 CD LYS A 46 -0.707 -2.701 9.024 1.00 0.00 C ATOM 733 CE LYS A 46 -1.112 -3.539 10.227 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.021 -2.774 11.494 1.00 0.00 N ATOM 0 H LYS A 46 1.977 -0.257 5.919 1.00 0.00 H new ATOM 0 HA LYS A 46 2.330 -2.908 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.036 -0.811 8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.370 -0.727 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.383 -3.175 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.925 -1.736 10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.337 -1.813 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.876 -3.270 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.133 -3.897 10.092 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.471 -4.419 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.605 -3.235 12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.031 -2.746 11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.363 -1.804 11.339 1.00 0.00 H new ATOM 748 N LEU A 47 -0.435 -2.229 5.241 1.00 0.00 N ATOM 749 CA LEU A 47 -1.611 -2.801 4.615 1.00 0.00 C ATOM 750 C LEU A 47 -1.160 -3.682 3.459 1.00 0.00 C ATOM 751 O LEU A 47 -1.636 -4.802 3.281 1.00 0.00 O ATOM 752 CB LEU A 47 -2.539 -1.667 4.106 1.00 0.00 C ATOM 753 CG LEU A 47 -3.961 -2.065 3.637 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.799 -0.824 3.388 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.924 -2.910 2.374 1.00 0.00 C ATOM 0 H LEU A 47 -0.273 -1.250 5.005 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.169 -3.400 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.641 -0.932 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.038 -1.169 3.276 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.409 -2.661 4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.796 -1.118 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.877 -0.247 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.327 -0.215 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.941 -3.168 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.445 -2.346 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.359 -3.823 2.563 1.00 0.00 H new ATOM 767 N LYS A 48 -0.215 -3.174 2.682 1.00 0.00 N ATOM 768 CA LYS A 48 0.295 -3.880 1.527 1.00 0.00 C ATOM 769 C LYS A 48 0.946 -5.190 1.924 1.00 0.00 C ATOM 770 O LYS A 48 0.640 -6.229 1.356 1.00 0.00 O ATOM 771 CB LYS A 48 1.278 -3.012 0.746 1.00 0.00 C ATOM 772 CG LYS A 48 0.628 -2.138 -0.321 1.00 0.00 C ATOM 773 CD LYS A 48 -0.415 -1.204 0.251 1.00 0.00 C ATOM 774 CE LYS A 48 -0.969 -0.290 -0.816 1.00 0.00 C ATOM 775 NZ LYS A 48 -1.489 -1.058 -1.978 1.00 0.00 N ATOM 0 H LYS A 48 0.216 -2.263 2.838 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.553 -4.107 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.816 -2.372 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.017 -3.657 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.397 -1.553 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.166 -2.775 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.225 -1.785 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.025 -0.609 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.768 0.319 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.189 0.394 -1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.352 -0.602 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.770 -1.079 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.709 -2.030 -1.681 1.00 0.00 H new ATOM 789 N GLU A 49 1.855 -5.152 2.895 1.00 0.00 N ATOM 790 CA GLU A 49 2.483 -6.373 3.364 1.00 0.00 C ATOM 791 C GLU A 49 1.465 -7.315 3.990 1.00 0.00 C ATOM 792 O GLU A 49 1.590 -8.529 3.876 1.00 0.00 O ATOM 793 CB GLU A 49 3.640 -6.086 4.319 1.00 0.00 C ATOM 794 CG GLU A 49 4.912 -5.661 3.606 1.00 0.00 C ATOM 795 CD GLU A 49 6.117 -5.620 4.520 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.287 -6.554 5.322 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.908 -4.658 4.433 1.00 0.00 O ATOM 0 H GLU A 49 2.166 -4.301 3.363 1.00 0.00 H new ATOM 0 HA GLU A 49 2.904 -6.874 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.342 -5.302 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.844 -6.978 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.109 -6.350 2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.763 -4.675 3.166 1.00 0.00 H new ATOM 804 N SER A 50 0.437 -6.760 4.638 1.00 0.00 N ATOM 805 CA SER A 50 -0.642 -7.580 5.179 1.00 0.00 C ATOM 806 C SER A 50 -1.298 -8.345 4.027 1.00 0.00 C ATOM 807 O SER A 50 -1.571 -9.540 4.124 1.00 0.00 O ATOM 808 CB SER A 50 -1.680 -6.697 5.899 1.00 0.00 C ATOM 809 OG SER A 50 -2.694 -7.475 6.522 1.00 0.00 O ATOM 0 H SER A 50 0.332 -5.758 4.798 1.00 0.00 H new ATOM 0 HA SER A 50 -0.240 -8.284 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.179 -6.085 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.135 -6.013 5.182 1.00 0.00 H new ATOM 0 HG SER A 50 -3.333 -6.882 6.969 1.00 0.00 H new ATOM 815 N TYR A 51 -1.510 -7.645 2.917 1.00 0.00 N ATOM 816 CA TYR A 51 -2.064 -8.231 1.713 1.00 0.00 C ATOM 817 C TYR A 51 -1.108 -9.261 1.120 1.00 0.00 C ATOM 818 O TYR A 51 -1.529 -10.321 0.668 1.00 0.00 O ATOM 819 CB TYR A 51 -2.381 -7.119 0.689 1.00 0.00 C ATOM 820 CG TYR A 51 -2.172 -7.511 -0.761 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.148 -8.197 -1.471 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.987 -7.199 -1.409 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.944 -8.561 -2.789 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.775 -7.558 -2.722 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.755 -8.238 -3.407 1.00 0.00 C ATOM 826 OH TYR A 51 -1.540 -8.603 -4.714 1.00 0.00 O ATOM 0 H TYR A 51 -1.299 -6.651 2.833 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.989 -8.748 1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.417 -6.808 0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.758 -6.253 0.910 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.080 -8.450 -0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.216 -6.665 -0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.711 -9.095 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.155 -7.307 -3.211 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.239 -9.535 -4.748 1.00 0.00 H new ATOM 836 N CYS A 52 0.186 -8.971 1.141 1.00 0.00 N ATOM 837 CA CYS A 52 1.166 -9.869 0.564 1.00 0.00 C ATOM 838 C CYS A 52 1.293 -11.136 1.389 1.00 0.00 C ATOM 839 O CYS A 52 1.392 -12.220 0.852 1.00 0.00 O ATOM 840 CB CYS A 52 2.527 -9.181 0.441 1.00 0.00 C ATOM 841 SG CYS A 52 2.487 -7.632 -0.486 1.00 0.00 S ATOM 0 H CYS A 52 0.576 -8.123 1.551 1.00 0.00 H new ATOM 0 HA CYS A 52 0.822 -10.140 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.915 -8.984 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.225 -9.864 -0.043 1.00 0.00 H new ATOM 0 HG CYS A 52 1.694 -6.791 0.109 1.00 0.00 H new ATOM 847 N GLN A 53 1.274 -10.999 2.706 1.00 0.00 N ATOM 848 CA GLN A 53 1.389 -12.152 3.589 1.00 0.00 C ATOM 849 C GLN A 53 0.111 -12.976 3.576 1.00 0.00 C ATOM 850 O GLN A 53 0.148 -14.202 3.619 1.00 0.00 O ATOM 851 CB GLN A 53 1.731 -11.710 5.015 1.00 0.00 C ATOM 852 CG GLN A 53 3.052 -10.960 5.128 1.00 0.00 C ATOM 853 CD GLN A 53 4.241 -11.795 4.697 1.00 0.00 C ATOM 854 OE1 GLN A 53 4.854 -12.484 5.506 1.00 0.00 O ATOM 855 NE2 GLN A 53 4.571 -11.741 3.423 1.00 0.00 N ATOM 0 H GLN A 53 1.180 -10.104 3.187 1.00 0.00 H new ATOM 0 HA GLN A 53 2.200 -12.779 3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.930 -11.073 5.390 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.767 -12.589 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.006 -10.059 4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.195 -10.638 6.160 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.036 -11.156 2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.362 -12.285 3.078 1.00 0.00 H new ATOM 864 N ARG A 54 -1.023 -12.302 3.501 1.00 0.00 N ATOM 865 CA ARG A 54 -2.316 -12.973 3.463 1.00 0.00 C ATOM 866 C ARG A 54 -2.497 -13.719 2.139 1.00 0.00 C ATOM 867 O ARG A 54 -3.053 -14.819 2.095 1.00 0.00 O ATOM 868 CB ARG A 54 -3.433 -11.953 3.681 1.00 0.00 C ATOM 869 CG ARG A 54 -4.831 -12.529 3.672 1.00 0.00 C ATOM 870 CD ARG A 54 -5.826 -11.524 4.233 1.00 0.00 C ATOM 871 NE ARG A 54 -7.204 -11.988 4.128 1.00 0.00 N ATOM 872 CZ ARG A 54 -8.103 -11.941 5.118 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.755 -11.509 6.327 1.00 0.00 N ATOM 874 NH2 ARG A 54 -9.346 -12.341 4.902 1.00 0.00 N ATOM 0 H ARG A 54 -1.077 -11.284 3.465 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.360 -13.710 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.268 -11.453 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.365 -11.190 2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.113 -12.799 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.857 -13.444 4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.590 -11.329 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.722 -10.578 3.701 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.505 -12.377 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.796 -11.210 6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.447 -11.477 7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.618 -12.685 3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.032 -12.305 5.656 1.00 0.00 H new ATOM 888 N GLN A 55 -2.013 -13.126 1.058 1.00 0.00 N ATOM 889 CA GLN A 55 -2.076 -13.752 -0.265 1.00 0.00 C ATOM 890 C GLN A 55 -0.915 -14.730 -0.424 1.00 0.00 C ATOM 891 O GLN A 55 -0.931 -15.624 -1.266 1.00 0.00 O ATOM 892 CB GLN A 55 -2.022 -12.681 -1.360 1.00 0.00 C ATOM 893 CG GLN A 55 -3.377 -12.086 -1.752 1.00 0.00 C ATOM 894 CD GLN A 55 -4.354 -11.967 -0.600 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.136 -12.880 -0.338 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.320 -10.850 0.089 1.00 0.00 N ATOM 0 H GLN A 55 -1.569 -12.208 1.066 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.016 -14.296 -0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.371 -11.873 -1.025 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.562 -13.114 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.217 -11.098 -2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.823 -12.705 -2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.656 -10.117 -0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.957 -10.715 0.874 1.00 0.00 H new ATOM 905 N GLY A 56 0.080 -14.539 0.407 1.00 0.00 N ATOM 906 CA GLY A 56 1.258 -15.379 0.405 1.00 0.00 C ATOM 907 C GLY A 56 2.178 -15.090 -0.767 1.00 0.00 C ATOM 908 O GLY A 56 2.765 -16.002 -1.348 1.00 0.00 O ATOM 0 H GLY A 56 0.098 -13.796 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.805 -15.233 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.954 -16.425 0.374 1.00 0.00 H new ATOM 912 N VAL A 57 2.302 -13.829 -1.130 1.00 0.00 N ATOM 913 CA VAL A 57 3.187 -13.437 -2.214 1.00 0.00 C ATOM 914 C VAL A 57 4.411 -12.705 -1.703 1.00 0.00 C ATOM 915 O VAL A 57 4.331 -11.912 -0.759 1.00 0.00 O ATOM 916 CB VAL A 57 2.498 -12.563 -3.294 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.788 -13.424 -4.318 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.536 -11.570 -2.663 1.00 0.00 C ATOM 0 H VAL A 57 1.802 -13.056 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 57 3.483 -14.376 -2.681 1.00 0.00 H new ATOM 0 HB VAL A 57 3.275 -11.997 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.313 -12.786 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.510 -14.078 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.029 -14.028 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.068 -10.971 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.768 -12.109 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.082 -10.917 -1.983 1.00 0.00 H new ATOM 928 N PRO A 58 5.565 -13.002 -2.295 1.00 0.00 N ATOM 929 CA PRO A 58 6.823 -12.330 -1.973 1.00 0.00 C ATOM 930 C PRO A 58 6.767 -10.825 -2.283 1.00 0.00 C ATOM 931 O PRO A 58 6.395 -10.414 -3.388 1.00 0.00 O ATOM 932 CB PRO A 58 7.851 -13.026 -2.880 1.00 0.00 C ATOM 933 CG PRO A 58 7.043 -13.713 -3.933 1.00 0.00 C ATOM 934 CD PRO A 58 5.739 -14.050 -3.307 1.00 0.00 C ATOM 0 HA PRO A 58 7.062 -12.400 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.540 -12.305 -3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.453 -13.740 -2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.903 -13.066 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.548 -14.612 -4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.929 -14.042 -4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.754 -15.043 -2.858 1.00 0.00 H new ATOM 942 N MET A 59 7.161 -10.008 -1.310 1.00 0.00 N ATOM 943 CA MET A 59 7.138 -8.547 -1.442 1.00 0.00 C ATOM 944 C MET A 59 8.095 -8.076 -2.538 1.00 0.00 C ATOM 945 O MET A 59 7.900 -7.037 -3.149 1.00 0.00 O ATOM 946 CB MET A 59 7.513 -7.883 -0.112 1.00 0.00 C ATOM 947 CG MET A 59 8.936 -8.165 0.328 1.00 0.00 C ATOM 948 SD MET A 59 9.375 -7.366 1.872 1.00 0.00 S ATOM 949 CE MET A 59 11.072 -7.914 2.028 1.00 0.00 C ATOM 0 H MET A 59 7.505 -10.336 -0.408 1.00 0.00 H new ATOM 0 HA MET A 59 6.124 -8.256 -1.718 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.377 -6.805 -0.202 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.827 -8.227 0.662 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.069 -9.242 0.434 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.622 -7.834 -0.452 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.503 -7.506 2.942 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.101 -9.003 2.068 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.647 -7.567 1.169 1.00 0.00 H new ATOM 959 N ASN A 60 9.131 -8.855 -2.776 1.00 0.00 N ATOM 960 CA ASN A 60 10.129 -8.523 -3.791 1.00 0.00 C ATOM 961 C ASN A 60 9.659 -8.923 -5.191 1.00 0.00 C ATOM 962 O ASN A 60 10.316 -8.627 -6.192 1.00 0.00 O ATOM 963 CB ASN A 60 11.474 -9.193 -3.466 1.00 0.00 C ATOM 964 CG ASN A 60 11.375 -10.705 -3.371 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.442 -11.409 -4.373 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.233 -11.210 -2.158 1.00 0.00 N ATOM 0 H ASN A 60 9.310 -9.729 -2.281 1.00 0.00 H new ATOM 0 HA ASN A 60 10.264 -7.441 -3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.200 -8.929 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.851 -8.799 -2.522 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.175 -12.220 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.181 -10.590 -1.350 1.00 0.00 H new ATOM 973 N SER A 61 8.526 -9.593 -5.265 1.00 0.00 N ATOM 974 CA SER A 61 7.979 -10.019 -6.539 1.00 0.00 C ATOM 975 C SER A 61 6.870 -9.077 -6.987 1.00 0.00 C ATOM 976 O SER A 61 6.649 -8.874 -8.175 1.00 0.00 O ATOM 977 CB SER A 61 7.435 -11.446 -6.420 1.00 0.00 C ATOM 978 OG SER A 61 7.062 -11.978 -7.680 1.00 0.00 O ATOM 0 H SER A 61 7.964 -9.855 -4.455 1.00 0.00 H new ATOM 0 HA SER A 61 8.774 -9.997 -7.284 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.192 -12.086 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.572 -11.451 -5.754 1.00 0.00 H new ATOM 0 HG SER A 61 6.085 -12.032 -7.736 1.00 0.00 H new ATOM 984 N LEU A 62 6.177 -8.483 -6.045 1.00 0.00 N ATOM 985 CA LEU A 62 5.061 -7.632 -6.378 1.00 0.00 C ATOM 986 C LEU A 62 5.418 -6.141 -6.176 1.00 0.00 C ATOM 987 O LEU A 62 6.475 -5.814 -5.637 1.00 0.00 O ATOM 988 CB LEU A 62 3.793 -8.109 -5.585 1.00 0.00 C ATOM 989 CG LEU A 62 3.450 -7.455 -4.235 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.666 -7.263 -3.366 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.693 -6.170 -4.449 1.00 0.00 C ATOM 0 H LEU A 62 6.365 -8.573 -5.047 1.00 0.00 H new ATOM 0 HA LEU A 62 4.820 -7.718 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.931 -7.978 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.901 -9.180 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 62 2.800 -8.139 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.371 -6.798 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.126 -8.231 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.382 -6.621 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.458 -5.721 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.304 -5.480 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.768 -6.378 -4.987 1.00 0.00 H new ATOM 1003 N ARG A 63 4.554 -5.249 -6.630 1.00 0.00 N ATOM 1004 CA ARG A 63 4.792 -3.820 -6.511 1.00 0.00 C ATOM 1005 C ARG A 63 3.489 -3.065 -6.277 1.00 0.00 C ATOM 1006 O ARG A 63 2.473 -3.331 -6.921 1.00 0.00 O ATOM 1007 CB ARG A 63 5.484 -3.286 -7.760 1.00 0.00 C ATOM 1008 CG ARG A 63 4.677 -3.469 -9.030 1.00 0.00 C ATOM 1009 CD ARG A 63 5.409 -2.915 -10.224 1.00 0.00 C ATOM 1010 NE ARG A 63 6.662 -3.625 -10.472 1.00 0.00 N ATOM 1011 CZ ARG A 63 7.692 -3.133 -11.167 1.00 0.00 C ATOM 1012 NH1 ARG A 63 7.631 -1.906 -11.689 1.00 0.00 N ATOM 1013 NH2 ARG A 63 8.783 -3.869 -11.341 1.00 0.00 N ATOM 0 H ARG A 63 3.675 -5.491 -7.088 1.00 0.00 H new ATOM 0 HA ARG A 63 5.442 -3.662 -5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.693 -2.225 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.445 -3.788 -7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.472 -4.528 -9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.713 -2.970 -8.927 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.771 -2.985 -11.105 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.617 -1.857 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 63 6.757 -4.565 -10.087 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.794 -1.337 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.421 -1.537 -12.218 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.834 -4.808 -10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.571 -3.496 -11.871 1.00 0.00 H new ATOM 1027 N PHE A 64 3.512 -2.142 -5.341 1.00 0.00 N ATOM 1028 CA PHE A 64 2.350 -1.327 -5.029 1.00 0.00 C ATOM 1029 C PHE A 64 2.579 0.101 -5.465 1.00 0.00 C ATOM 1030 O PHE A 64 3.478 0.772 -4.965 1.00 0.00 O ATOM 1031 CB PHE A 64 2.062 -1.352 -3.527 1.00 0.00 C ATOM 1032 CG PHE A 64 3.019 -2.202 -2.736 1.00 0.00 C ATOM 1033 CD1 PHE A 64 4.208 -1.678 -2.257 1.00 0.00 C ATOM 1034 CD2 PHE A 64 2.724 -3.524 -2.477 1.00 0.00 C ATOM 1035 CE1 PHE A 64 5.085 -2.464 -1.537 1.00 0.00 C ATOM 1036 CE2 PHE A 64 3.590 -4.315 -1.759 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.775 -3.788 -1.285 1.00 0.00 C ATOM 0 H PHE A 64 4.333 -1.933 -4.773 1.00 0.00 H new ATOM 0 HA PHE A 64 1.495 -1.739 -5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.095 -0.332 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.048 -1.719 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.452 -0.643 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.799 -3.944 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.011 -2.046 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.343 -5.349 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.457 -4.407 -0.720 1.00 0.00 H new ATOM 1047 N LEU A 65 1.782 0.570 -6.389 1.00 0.00 N ATOM 1048 CA LEU A 65 1.924 1.922 -6.866 1.00 0.00 C ATOM 1049 C LEU A 65 0.592 2.647 -6.999 1.00 0.00 C ATOM 1050 O LEU A 65 -0.469 2.040 -7.105 1.00 0.00 O ATOM 1051 CB LEU A 65 2.721 1.955 -8.185 1.00 0.00 C ATOM 1052 CG LEU A 65 2.352 0.903 -9.240 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.981 1.169 -9.828 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.402 0.862 -10.330 1.00 0.00 C ATOM 0 H LEU A 65 1.029 0.038 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 65 2.488 2.467 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.599 2.942 -8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.778 1.841 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 65 2.318 -0.070 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.750 0.406 -10.572 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.233 1.141 -9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.972 2.151 -10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.128 0.112 -11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.467 1.839 -10.809 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.368 0.606 -9.895 1.00 0.00 H new ATOM 1066 N PHE A 66 0.661 3.950 -6.962 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.493 4.799 -7.132 1.00 0.00 C ATOM 1068 C PHE A 66 -0.101 5.980 -7.981 1.00 0.00 C ATOM 1069 O PHE A 66 0.817 6.712 -7.638 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.033 5.272 -5.775 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.106 6.315 -5.889 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.293 6.029 -6.532 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.922 7.586 -5.361 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.278 6.982 -6.648 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.907 8.545 -5.474 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.088 8.243 -6.119 1.00 0.00 C ATOM 0 H PHE A 66 1.531 4.461 -6.811 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.286 4.235 -7.623 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.428 4.414 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.209 5.673 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.450 5.045 -6.949 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.998 7.826 -4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.202 6.743 -7.154 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.754 9.530 -5.058 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.862 8.991 -6.210 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.779 6.161 -9.104 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.479 7.239 -10.045 1.00 0.00 C ATOM 1088 C GLU A 67 0.990 7.235 -10.481 1.00 0.00 C ATOM 1089 O GLU A 67 1.543 8.260 -10.881 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.874 8.588 -9.453 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.365 8.709 -9.197 1.00 0.00 C ATOM 1092 CD GLU A 67 -3.189 8.468 -10.444 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -3.407 9.433 -11.202 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.619 7.311 -10.672 1.00 0.00 O ATOM 0 H GLU A 67 -1.555 5.565 -9.393 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.073 7.065 -10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.337 8.739 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.562 9.382 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.658 7.994 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.584 9.703 -8.807 1.00 0.00 H new ATOM 1101 N GLY A 68 1.615 6.070 -10.416 1.00 0.00 N ATOM 1102 CA GLY A 68 2.974 5.928 -10.878 1.00 0.00 C ATOM 1103 C GLY A 68 4.006 6.053 -9.780 1.00 0.00 C ATOM 1104 O GLY A 68 5.205 6.111 -10.054 1.00 0.00 O ATOM 0 H GLY A 68 1.199 5.215 -10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.085 4.957 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.171 6.685 -11.637 1.00 0.00 H new ATOM 1108 N GLN A 69 3.566 6.095 -8.535 1.00 0.00 N ATOM 1109 CA GLN A 69 4.491 6.200 -7.425 1.00 0.00 C ATOM 1110 C GLN A 69 4.363 4.986 -6.528 1.00 0.00 C ATOM 1111 O GLN A 69 3.257 4.552 -6.194 1.00 0.00 O ATOM 1112 CB GLN A 69 4.232 7.478 -6.629 1.00 0.00 C ATOM 1113 CG GLN A 69 2.976 7.441 -5.790 1.00 0.00 C ATOM 1114 CD GLN A 69 2.605 8.790 -5.239 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.467 9.601 -4.915 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.318 9.053 -5.159 1.00 0.00 N ATOM 0 H GLN A 69 2.582 6.058 -8.270 1.00 0.00 H new ATOM 0 HA GLN A 69 5.506 6.242 -7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.085 7.666 -5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.168 8.317 -7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.152 7.061 -6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.116 6.742 -4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.635 8.349 -5.439 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.003 9.961 -4.817 1.00 0.00 H new ATOM 1125 N ARG A 70 5.480 4.414 -6.168 1.00 0.00 N ATOM 1126 CA ARG A 70 5.497 3.260 -5.296 1.00 0.00 C ATOM 1127 C ARG A 70 5.082 3.635 -3.880 1.00 0.00 C ATOM 1128 O ARG A 70 5.472 4.685 -3.347 1.00 0.00 O ATOM 1129 CB ARG A 70 6.886 2.607 -5.290 1.00 0.00 C ATOM 1130 CG ARG A 70 7.986 3.493 -4.716 1.00 0.00 C ATOM 1131 CD ARG A 70 9.339 2.811 -4.775 1.00 0.00 C ATOM 1132 NE ARG A 70 10.382 3.605 -4.115 1.00 0.00 N ATOM 1133 CZ ARG A 70 11.604 3.152 -3.830 1.00 0.00 C ATOM 1134 NH1 ARG A 70 11.955 1.921 -4.184 1.00 0.00 N ATOM 1135 NH2 ARG A 70 12.475 3.933 -3.200 1.00 0.00 N ATOM 0 H ARG A 70 6.403 4.729 -6.467 1.00 0.00 H new ATOM 0 HA ARG A 70 4.775 2.540 -5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.839 1.684 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.151 2.332 -6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.026 4.430 -5.271 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.749 3.744 -3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.273 1.832 -4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.615 2.642 -5.816 1.00 0.00 H new ATOM 0 HE ARG A 70 10.158 4.566 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.290 1.322 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.889 1.575 -3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.210 4.881 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.409 3.584 -2.983 1.00 0.00 H new ATOM 1149 N ILE A 71 4.267 2.808 -3.274 1.00 0.00 N ATOM 1150 CA ILE A 71 3.854 3.047 -1.920 1.00 0.00 C ATOM 1151 C ILE A 71 4.949 2.584 -0.964 1.00 0.00 C ATOM 1152 O ILE A 71 5.086 1.396 -0.676 1.00 0.00 O ATOM 1153 CB ILE A 71 2.527 2.331 -1.581 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.528 2.442 -2.750 1.00 0.00 C ATOM 1155 CG2 ILE A 71 1.924 2.936 -0.325 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.167 3.866 -3.130 1.00 0.00 C ATOM 0 H ILE A 71 3.879 1.966 -3.699 1.00 0.00 H new ATOM 0 HA ILE A 71 3.685 4.118 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 71 2.738 1.275 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.950 1.942 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.616 1.907 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.989 2.428 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.620 2.818 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.730 3.996 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.460 3.853 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.713 4.367 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.068 4.402 -3.429 1.00 0.00 H new ATOM 1168 N ALA A 72 5.738 3.537 -0.497 1.00 0.00 N ATOM 1169 CA ALA A 72 6.853 3.272 0.395 1.00 0.00 C ATOM 1170 C ALA A 72 6.383 2.858 1.782 1.00 0.00 C ATOM 1171 O ALA A 72 5.203 2.992 2.125 1.00 0.00 O ATOM 1172 CB ALA A 72 7.720 4.514 0.500 1.00 0.00 C ATOM 0 H ALA A 72 5.621 4.524 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 72 7.427 2.444 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.558 4.317 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.099 4.778 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.127 5.339 0.894 1.00 0.00 H new ATOM 1178 N ASP A 73 7.324 2.390 2.598 1.00 0.00 N ATOM 1179 CA ASP A 73 7.033 1.972 3.970 1.00 0.00 C ATOM 1180 C ASP A 73 6.645 3.170 4.814 1.00 0.00 C ATOM 1181 O ASP A 73 5.992 3.042 5.853 1.00 0.00 O ATOM 1182 CB ASP A 73 8.241 1.258 4.598 1.00 0.00 C ATOM 1183 CG ASP A 73 9.353 2.215 4.994 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.025 2.757 4.092 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.556 2.431 6.211 1.00 0.00 O ATOM 0 H ASP A 73 8.303 2.290 2.331 1.00 0.00 H new ATOM 0 HA ASP A 73 6.198 1.272 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.913 0.706 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.632 0.527 3.891 1.00 0.00 H new ATOM 1190 N ASN A 74 7.027 4.341 4.347 1.00 0.00 N ATOM 1191 CA ASN A 74 6.753 5.582 5.037 1.00 0.00 C ATOM 1192 C ASN A 74 5.663 6.364 4.316 1.00 0.00 C ATOM 1193 O ASN A 74 5.386 7.514 4.643 1.00 0.00 O ATOM 1194 CB ASN A 74 8.030 6.429 5.127 1.00 0.00 C ATOM 1195 CG ASN A 74 8.655 6.705 3.764 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.330 7.691 3.101 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.561 5.835 3.341 1.00 0.00 N ATOM 0 H ASN A 74 7.539 4.458 3.473 1.00 0.00 H new ATOM 0 HA ASN A 74 6.408 5.348 6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.798 7.376 5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.757 5.916 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.015 5.970 2.438 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.804 5.030 3.919 1.00 0.00 H new ATOM 1204 N HIS A 75 5.030 5.741 3.326 1.00 0.00 N ATOM 1205 CA HIS A 75 3.984 6.417 2.585 1.00 0.00 C ATOM 1206 C HIS A 75 2.628 6.203 3.227 1.00 0.00 C ATOM 1207 O HIS A 75 2.290 5.099 3.663 1.00 0.00 O ATOM 1208 CB HIS A 75 3.962 5.985 1.120 1.00 0.00 C ATOM 1209 CG HIS A 75 4.720 6.912 0.215 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.883 6.690 -1.138 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.325 8.097 0.471 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.549 7.698 -1.667 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.828 8.562 -0.713 1.00 0.00 N ATOM 0 H HIS A 75 5.222 4.785 3.026 1.00 0.00 H new ATOM 0 HA HIS A 75 4.208 7.483 2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.384 4.983 1.038 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.927 5.924 0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.397 8.584 1.432 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.820 7.798 -2.708 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.337 9.437 -0.837 1.00 0.00 H new ATOM 1222 N THR A 76 1.846 7.260 3.270 1.00 0.00 N ATOM 1223 CA THR A 76 0.542 7.251 3.899 1.00 0.00 C ATOM 1224 C THR A 76 -0.461 7.929 2.972 1.00 0.00 C ATOM 1225 O THR A 76 -0.056 8.569 1.992 1.00 0.00 O ATOM 1226 CB THR A 76 0.601 8.060 5.215 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.859 9.429 4.907 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.708 7.556 6.111 1.00 0.00 C ATOM 0 H THR A 76 2.100 8.161 2.864 1.00 0.00 H new ATOM 0 HA THR A 76 0.245 6.222 4.101 1.00 0.00 H new ATOM 0 HB THR A 76 -0.352 7.948 5.731 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.485 9.800 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.728 8.142 7.030 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.532 6.508 6.353 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.665 7.654 5.598 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.779 7.812 3.243 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.792 8.506 2.457 1.00 0.00 C ATOM 1238 C PRO A 77 -2.594 10.020 2.502 1.00 0.00 C ATOM 1239 O PRO A 77 -2.835 10.721 1.515 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.121 8.120 3.120 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.753 7.554 4.449 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.385 6.970 4.293 1.00 0.00 C ATOM 0 HA PRO A 77 -2.748 8.229 1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.772 8.988 3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.662 7.390 2.519 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.760 8.328 5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.468 6.792 4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.819 7.016 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.426 5.922 3.996 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.124 10.525 3.644 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.899 11.951 3.807 1.00 0.00 C ATOM 1252 C LYS A 78 -0.643 12.382 3.069 1.00 0.00 C ATOM 1253 O LYS A 78 -0.539 13.519 2.604 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.800 12.325 5.298 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.529 11.847 5.998 1.00 0.00 C ATOM 1256 CD LYS A 78 0.244 12.997 6.638 1.00 0.00 C ATOM 1257 CE LYS A 78 0.984 13.834 5.599 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.787 14.914 6.223 1.00 0.00 N ATOM 0 H LYS A 78 -1.894 9.964 4.464 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.752 12.478 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.862 13.409 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.663 11.910 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.791 11.117 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.111 11.338 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.446 13.634 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.958 12.598 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.638 13.189 5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.264 14.271 4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.273 15.458 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.160 15.546 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.491 14.497 6.864 1.00 0.00 H new ATOM 1272 N GLU A 79 0.312 11.471 2.948 1.00 0.00 N ATOM 1273 CA GLU A 79 1.574 11.766 2.298 1.00 0.00 C ATOM 1274 C GLU A 79 1.393 11.779 0.798 1.00 0.00 C ATOM 1275 O GLU A 79 1.918 12.637 0.091 1.00 0.00 O ATOM 1276 CB GLU A 79 2.618 10.719 2.670 1.00 0.00 C ATOM 1277 CG GLU A 79 4.042 11.211 2.550 1.00 0.00 C ATOM 1278 CD GLU A 79 4.291 12.431 3.405 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.679 12.265 4.584 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.093 13.556 2.908 1.00 0.00 O ATOM 0 H GLU A 79 0.232 10.515 3.295 1.00 0.00 H new ATOM 0 HA GLU A 79 1.914 12.746 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.442 10.391 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.489 9.847 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.727 10.416 2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.258 11.448 1.508 1.00 0.00 H new ATOM 1287 N LEU A 80 0.636 10.821 0.314 1.00 0.00 N ATOM 1288 CA LEU A 80 0.394 10.675 -1.099 1.00 0.00 C ATOM 1289 C LEU A 80 -0.682 11.634 -1.587 1.00 0.00 C ATOM 1290 O LEU A 80 -0.855 11.820 -2.788 1.00 0.00 O ATOM 1291 CB LEU A 80 0.010 9.236 -1.390 1.00 0.00 C ATOM 1292 CG LEU A 80 1.088 8.216 -1.039 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.534 6.816 -1.054 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.247 8.335 -1.996 1.00 0.00 C ATOM 0 H LEU A 80 0.171 10.121 0.892 1.00 0.00 H new ATOM 0 HA LEU A 80 1.307 10.925 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.897 8.995 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.230 9.143 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 80 1.441 8.426 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.324 6.109 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.272 6.736 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.149 6.588 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.011 7.602 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.900 8.152 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.670 9.338 -1.932 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.411 12.243 -0.658 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.428 13.208 -1.036 1.00 0.00 C ATOM 1308 C GLY A 81 -3.637 12.555 -1.673 1.00 0.00 C ATOM 1309 O GLY A 81 -4.224 13.091 -2.609 1.00 0.00 O ATOM 0 H GLY A 81 -1.317 12.087 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.742 13.765 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.999 13.929 -1.732 1.00 0.00 H new ATOM 1313 N MET A 82 -4.009 11.391 -1.172 1.00 0.00 N ATOM 1314 CA MET A 82 -5.150 10.658 -1.703 1.00 0.00 C ATOM 1315 C MET A 82 -6.437 11.043 -0.979 1.00 0.00 C ATOM 1316 O MET A 82 -6.419 11.848 -0.039 1.00 0.00 O ATOM 1317 CB MET A 82 -4.912 9.155 -1.580 1.00 0.00 C ATOM 1318 CG MET A 82 -3.653 8.693 -2.281 1.00 0.00 C ATOM 1319 SD MET A 82 -3.439 6.908 -2.246 1.00 0.00 S ATOM 1320 CE MET A 82 -3.221 6.628 -0.501 1.00 0.00 C ATOM 0 H MET A 82 -3.537 10.929 -0.395 1.00 0.00 H new ATOM 0 HA MET A 82 -5.260 10.920 -2.755 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.852 8.888 -0.525 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.768 8.623 -1.995 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.677 9.030 -3.317 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.790 9.165 -1.813 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.023 5.571 -0.324 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.380 7.220 -0.140 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.126 6.922 0.030 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.549 10.466 -1.406 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.843 10.743 -0.799 1.00 0.00 C ATOM 1332 C GLU A 83 -9.469 9.461 -0.275 1.00 0.00 C ATOM 1333 O GLU A 83 -8.899 8.381 -0.417 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.782 11.419 -1.796 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.330 12.802 -2.221 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.352 13.505 -3.077 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.345 14.024 -2.518 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.165 13.560 -4.306 1.00 0.00 O ATOM 0 H GLU A 83 -7.582 9.798 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.684 11.424 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.872 10.789 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.775 11.492 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.128 13.403 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.393 12.721 -2.772 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.636 9.568 0.337 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.298 8.401 0.884 1.00 0.00 C ATOM 1347 C GLU A 84 -11.942 7.530 -0.193 1.00 0.00 C ATOM 1348 O GLU A 84 -12.475 8.020 -1.186 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.288 8.771 2.005 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.170 9.991 1.736 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.255 9.740 0.716 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.164 8.924 0.998 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.225 10.379 -0.360 1.00 0.00 O ATOM 0 H GLU A 84 -11.140 10.445 0.466 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.518 7.791 1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.934 7.913 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.722 8.949 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.629 10.310 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.543 10.813 1.392 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.836 6.222 0.012 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.353 5.194 -0.893 1.00 0.00 C ATOM 1362 C GLU A 85 -11.552 5.172 -2.195 1.00 0.00 C ATOM 1363 O GLU A 85 -11.958 4.578 -3.199 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.864 5.359 -1.145 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.502 4.146 -1.808 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.006 4.158 -1.742 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.640 4.801 -2.605 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.566 3.501 -0.831 1.00 0.00 O ATOM 0 H GLU A 85 -11.375 5.833 0.835 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.227 4.225 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.364 5.550 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.027 6.235 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.191 4.105 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.131 3.240 -1.328 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.386 5.810 -2.166 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.507 5.835 -3.318 1.00 0.00 C ATOM 1377 C ASP A 86 -8.940 4.440 -3.572 1.00 0.00 C ATOM 1378 O ASP A 86 -9.081 3.526 -2.740 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.372 6.846 -3.120 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.922 7.484 -4.424 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -8.069 6.847 -5.495 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.431 8.631 -4.387 1.00 0.00 O ATOM 0 H ASP A 86 -10.032 6.316 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.087 6.146 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.701 7.626 -2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.523 6.347 -2.652 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.281 4.269 -4.692 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.787 2.969 -5.077 1.00 0.00 C ATOM 1389 C VAL A 87 -6.302 3.005 -5.401 1.00 0.00 C ATOM 1390 O VAL A 87 -5.799 3.950 -6.010 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.579 2.381 -6.283 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.072 2.365 -5.988 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.304 3.161 -7.564 1.00 0.00 C ATOM 0 H VAL A 87 -8.074 5.016 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.937 2.316 -4.217 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.238 1.356 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.607 1.951 -6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.262 1.751 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.417 3.382 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.872 2.724 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.603 4.200 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.240 3.117 -7.795 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.599 1.980 -4.969 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.180 1.839 -5.249 1.00 0.00 C ATOM 1405 C ILE A 88 -3.987 0.631 -6.140 1.00 0.00 C ATOM 1406 O ILE A 88 -4.663 -0.384 -5.965 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.322 1.676 -3.946 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.173 3.011 -3.197 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.942 1.103 -4.264 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.451 3.535 -2.594 1.00 0.00 C ATOM 0 H ILE A 88 -5.992 1.220 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.838 2.750 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.853 0.977 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.436 2.888 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.778 3.758 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.369 1.001 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.053 0.125 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.418 1.774 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.253 4.479 -2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.187 3.694 -3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.839 2.811 -1.877 1.00 0.00 H new ATOM 1422 N GLU A 89 -3.051 0.711 -7.058 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.824 -0.354 -8.010 1.00 0.00 C ATOM 1424 C GLU A 89 -1.659 -1.229 -7.548 1.00 0.00 C ATOM 1425 O GLU A 89 -0.657 -0.734 -7.012 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.534 0.239 -9.389 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.307 -0.789 -10.477 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.547 -1.595 -10.789 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.410 -1.097 -11.549 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.661 -2.735 -10.299 1.00 0.00 O ATOM 0 H GLU A 89 -2.428 1.511 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.718 -0.974 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.368 0.879 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.653 0.877 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.970 -0.285 -11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.508 -1.464 -10.172 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.790 -2.518 -7.721 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.769 -3.450 -7.310 1.00 0.00 C ATOM 1439 C VAL A 90 -0.513 -4.503 -8.384 1.00 0.00 C ATOM 1440 O VAL A 90 -1.440 -5.140 -8.898 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.141 -4.141 -5.962 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.369 -5.433 -5.781 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.872 -3.211 -4.789 1.00 0.00 C ATOM 0 H VAL A 90 -2.607 -2.953 -8.150 1.00 0.00 H new ATOM 0 HA VAL A 90 0.147 -2.877 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.205 -4.374 -5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.648 -5.894 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.604 -6.115 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.700 -5.221 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.138 -3.712 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.185 -2.947 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.470 -2.306 -4.897 1.00 0.00 H new ATOM 1453 N TYR A 91 0.742 -4.690 -8.725 1.00 0.00 N ATOM 1454 CA TYR A 91 1.118 -5.680 -9.701 1.00 0.00 C ATOM 1455 C TYR A 91 1.947 -6.752 -9.036 1.00 0.00 C ATOM 1456 O TYR A 91 2.670 -6.481 -8.091 1.00 0.00 O ATOM 1457 CB TYR A 91 1.880 -5.047 -10.862 1.00 0.00 C ATOM 1458 CG TYR A 91 1.056 -4.061 -11.651 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.073 -4.498 -12.525 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.251 -2.695 -11.517 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.692 -3.609 -13.246 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.488 -1.794 -12.235 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.482 -2.259 -13.099 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.246 -1.367 -13.817 1.00 0.00 O ATOM 0 H TYR A 91 1.524 -4.163 -8.335 1.00 0.00 H new ATOM 0 HA TYR A 91 0.214 -6.130 -10.111 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.765 -4.542 -10.474 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.229 -5.834 -11.530 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.096 -5.558 -12.643 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.010 -2.330 -10.842 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.452 -3.970 -13.923 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.650 -0.732 -12.121 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.973 -0.452 -13.598 1.00 0.00 H new ATOM 1474 N GLN A 92 1.831 -7.972 -9.502 1.00 0.00 N ATOM 1475 CA GLN A 92 2.552 -9.071 -8.895 1.00 0.00 C ATOM 1476 C GLN A 92 3.235 -9.955 -9.934 1.00 0.00 C ATOM 1477 O GLN A 92 2.597 -10.482 -10.849 1.00 0.00 O ATOM 1478 CB GLN A 92 1.611 -9.907 -8.008 1.00 0.00 C ATOM 1479 CG GLN A 92 0.458 -10.561 -8.762 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.493 -11.314 -7.854 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.651 -10.836 -6.635 1.00 0.00 O flip ATOM 1482 NE2 GLN A 92 -1.089 -12.308 -8.255 1.00 0.00 N flip ATOM 0 H GLN A 92 1.247 -8.231 -10.297 1.00 0.00 H new ATOM 0 HA GLN A 92 3.337 -8.640 -8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.193 -10.684 -7.512 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.202 -9.266 -7.226 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.096 -9.794 -9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.861 -11.248 -9.506 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.938 -12.644 -9.206 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.736 -12.798 -7.638 1.00 0.00 H new ATOM 1491 N GLU A 93 4.542 -10.088 -9.810 1.00 0.00 N ATOM 1492 CA GLU A 93 5.295 -10.994 -10.657 1.00 0.00 C ATOM 1493 C GLU A 93 5.038 -12.416 -10.209 1.00 0.00 C ATOM 1494 O GLU A 93 4.385 -12.642 -9.190 1.00 0.00 O ATOM 1495 CB GLU A 93 6.790 -10.691 -10.584 1.00 0.00 C ATOM 1496 CG GLU A 93 7.185 -9.377 -11.214 1.00 0.00 C ATOM 1497 CD GLU A 93 6.956 -9.367 -12.701 1.00 0.00 C ATOM 1498 OE1 GLU A 93 7.761 -9.983 -13.431 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.971 -8.746 -13.151 1.00 0.00 O ATOM 0 H GLU A 93 5.106 -9.579 -9.129 1.00 0.00 H new ATOM 0 HA GLU A 93 4.972 -10.864 -11.690 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.098 -10.687 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.337 -11.496 -11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.614 -8.570 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.237 -9.180 -11.009 1.00 0.00 H new ATOM 1506 N GLN A 94 5.547 -13.379 -10.933 1.00 0.00 N ATOM 1507 CA GLN A 94 5.344 -14.762 -10.569 1.00 0.00 C ATOM 1508 C GLN A 94 6.632 -15.350 -10.023 1.00 0.00 C ATOM 1509 O GLN A 94 6.627 -16.363 -9.326 1.00 0.00 O ATOM 1510 CB GLN A 94 4.851 -15.561 -11.773 1.00 0.00 C ATOM 1511 CG GLN A 94 3.573 -15.000 -12.385 1.00 0.00 C ATOM 1512 CD GLN A 94 3.053 -15.829 -13.543 1.00 0.00 C ATOM 1513 OE1 GLN A 94 3.949 -16.478 -14.256 1.00 0.00 O flip ATOM 1514 NE2 GLN A 94 1.847 -15.873 -13.793 1.00 0.00 N flip ATOM 0 H GLN A 94 6.103 -13.235 -11.776 1.00 0.00 H new ATOM 0 HA GLN A 94 4.582 -14.815 -9.791 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.632 -15.579 -12.533 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.678 -16.593 -11.469 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.804 -14.941 -11.615 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.759 -13.983 -12.729 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.187 -15.354 -13.214 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.509 -16.428 -14.579 1.00 0.00 H new ATOM 1523 N THR A 95 7.740 -14.694 -10.316 1.00 0.00 N ATOM 1524 CA THR A 95 9.035 -15.142 -9.866 1.00 0.00 C ATOM 1525 C THR A 95 9.738 -14.040 -9.087 1.00 0.00 C ATOM 1526 O THR A 95 10.132 -13.012 -9.652 1.00 0.00 O ATOM 1527 CB THR A 95 9.924 -15.574 -11.053 1.00 0.00 C ATOM 1528 OG1 THR A 95 9.958 -14.529 -12.037 1.00 0.00 O ATOM 1529 CG2 THR A 95 9.399 -16.851 -11.686 1.00 0.00 C ATOM 0 H THR A 95 7.762 -13.839 -10.871 1.00 0.00 H new ATOM 0 HA THR A 95 8.876 -16.003 -9.217 1.00 0.00 H new ATOM 0 HB THR A 95 10.931 -15.761 -10.679 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.042 -13.661 -11.590 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.042 -17.135 -12.519 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.393 -17.649 -10.944 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.385 -16.686 -12.050 1.00 0.00 H new ATOM 1537 N GLY A 96 9.863 -14.229 -7.794 1.00 0.00 N ATOM 1538 CA GLY A 96 10.543 -13.263 -6.967 1.00 0.00 C ATOM 1539 C GLY A 96 11.831 -13.819 -6.433 1.00 0.00 C ATOM 1540 O GLY A 96 12.908 -13.279 -6.674 1.00 0.00 O ATOM 0 H GLY A 96 9.503 -15.042 -7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.745 -12.362 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.898 -12.971 -6.138 1.00 0.00 H new ATOM 1544 N GLY A 97 11.731 -14.913 -5.720 1.00 0.00 N ATOM 1545 CA GLY A 97 12.891 -15.554 -5.174 1.00 0.00 C ATOM 1546 C GLY A 97 12.520 -16.846 -4.508 1.00 0.00 C ATOM 1547 O GLY A 97 11.493 -17.446 -4.908 1.00 0.00 O ATOM 1548 OXT GLY A 97 13.235 -17.270 -3.583 1.00 0.00 O ATOM 0 H GLY A 97 10.849 -15.378 -5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.615 -15.743 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.372 -14.893 -4.453 1.00 0.00 H new TER 1552 GLY A 97