USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 920 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 17 GLN : amide:sc= 0.179 X(o=0.36,f=0.037) USER MOD Set 1.2: B 119 HIS : no HE2:sc= 0.182 K(o=0.36,f=-1.4) USER MOD Set 2.1: B 45 TYR OH : rot 15:sc= 0.0381 USER MOD Set 2.2: B 68 ASN : amide:sc= 0.0298 X(o=0.068,f=0.33) USER MOD Set 3.1: B 53 ASN : amide:sc= -0.0758 X(o=-0.076,f=-0.092) USER MOD Set 3.2: B 54 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 38 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Set 4.2: B 41 HIS : no HD1:sc= 0 X(o=-1.2,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.386 K(o=-0.39,f=-3.6) USER MOD Single : A 4 THR OG1 : rot 55:sc= 0.016 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -95:sc= 1.22 USER MOD Single : A 22 SER OG : rot 86:sc= -0.116 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 34 SER OG : rot 180:sc= 0.00949 USER MOD Single : B 35 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 40 SER OG : rot 177:sc= 1.22 USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ -167:sc=-0.00155 (180deg=-0.189) USER MOD Single : B 52 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.16) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : B 69 SER OG : rot 180:sc= -0.03 USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ 167:sc=-0.00903 (180deg=-0.143) USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 81 TYR OH : rot 120:sc= 1.07 USER MOD Single : B 84 GLN : amide:sc= 1.07 K(o=1.1,f=-4.8!) USER MOD Single : B 87 SER OG : rot 132:sc= -1.41 USER MOD Single : B 89 GLN : amide:sc= -2.22! C(o=-2.2!,f=-6.8!) USER MOD Single : B 90 GLN : amide:sc= 0.407 K(o=0.41,f=-0.87) USER MOD Single : B 91 TYR OH : rot 180:sc= -0.16 USER MOD Single : B 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 94 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.47) USER MOD Single : B 97 THR OG1 : rot -158:sc= 1.15 USER MOD Single : B 102 THR OG1 : rot 180:sc= -0.283 USER MOD Single : B 103 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : B 104 THR OG1 : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot -59:sc= 0.0316 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : B 107 SER OG : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 44:sc= 0.0805 USER MOD Single : B 114 HIS : no HD1:sc= -0.0827 X(o=-0.083,f=-0.093) USER MOD Single : B 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 116 HIS : no HE2:sc= 1.1 K(o=1.1,f=-5.4!) USER MOD Single : B 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : B 118 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.985 9.088 18.463 1.00 0.00 N ATOM 2 CA GLY A 1 5.100 10.440 19.060 1.00 0.00 C ATOM 3 C GLY A 1 5.350 11.500 18.011 1.00 0.00 C ATOM 4 O GLY A 1 4.652 11.550 17.001 1.00 0.00 O ATOM 0 H1 GLY A 1 4.814 8.390 19.215 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.193 9.072 17.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.867 8.852 17.966 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.185 10.676 19.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.913 10.448 19.786 1.00 0.00 H new ATOM 10 N SER A 2 6.356 12.337 18.235 1.00 0.00 N ATOM 11 CA SER A 2 6.685 13.406 17.300 1.00 0.00 C ATOM 12 C SER A 2 7.374 12.849 16.056 1.00 0.00 C ATOM 13 O SER A 2 7.476 13.525 15.030 1.00 0.00 O ATOM 14 CB SER A 2 7.580 14.445 17.978 1.00 0.00 C ATOM 15 OG SER A 2 6.978 14.940 19.165 1.00 0.00 O ATOM 0 H SER A 2 6.959 12.296 19.057 1.00 0.00 H new ATOM 0 HA SER A 2 5.756 13.886 16.991 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.546 13.999 18.215 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.770 15.270 17.291 1.00 0.00 H new ATOM 0 HG SER A 2 7.570 15.601 19.581 1.00 0.00 H new ATOM 21 N GLN A 3 7.852 11.615 16.148 1.00 0.00 N ATOM 22 CA GLN A 3 8.464 10.957 15.007 1.00 0.00 C ATOM 23 C GLN A 3 7.369 10.373 14.124 1.00 0.00 C ATOM 24 O GLN A 3 7.052 9.184 14.194 1.00 0.00 O ATOM 25 CB GLN A 3 9.437 9.864 15.470 1.00 0.00 C ATOM 26 CG GLN A 3 10.490 9.472 14.436 1.00 0.00 C ATOM 27 CD GLN A 3 9.921 8.736 13.237 1.00 0.00 C ATOM 28 OE1 GLN A 3 9.556 9.347 12.232 1.00 0.00 O ATOM 29 NE2 GLN A 3 9.843 7.421 13.336 1.00 0.00 N ATOM 0 H GLN A 3 7.827 11.053 16.999 1.00 0.00 H new ATOM 0 HA GLN A 3 9.037 11.684 14.432 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.943 10.205 16.373 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.864 8.977 15.741 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.000 10.371 14.091 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.241 8.843 14.915 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.157 6.954 14.187 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.469 6.873 12.562 1.00 0.00 H new ATOM 38 N THR A 4 6.766 11.231 13.326 1.00 0.00 N ATOM 39 CA THR A 4 5.748 10.814 12.384 1.00 0.00 C ATOM 40 C THR A 4 6.188 11.141 10.966 1.00 0.00 C ATOM 41 O THR A 4 5.573 11.963 10.285 1.00 0.00 O ATOM 42 CB THR A 4 4.398 11.493 12.684 1.00 0.00 C ATOM 43 OG1 THR A 4 4.594 12.896 12.906 1.00 0.00 O ATOM 44 CG2 THR A 4 3.732 10.868 13.902 1.00 0.00 C ATOM 0 H THR A 4 6.966 12.231 13.312 1.00 0.00 H new ATOM 0 HA THR A 4 5.616 9.737 12.484 1.00 0.00 H new ATOM 0 HB THR A 4 3.746 11.349 11.823 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.059 13.287 12.137 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.781 11.365 14.092 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.557 9.808 13.717 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.381 10.982 14.770 1.00 0.00 H new ATOM 52 N THR A 5 7.273 10.508 10.538 1.00 0.00 N ATOM 53 CA THR A 5 7.816 10.731 9.211 1.00 0.00 C ATOM 54 C THR A 5 6.765 10.427 8.140 1.00 0.00 C ATOM 55 O THR A 5 6.039 9.428 8.229 1.00 0.00 O ATOM 56 CB THR A 5 9.092 9.889 8.978 1.00 0.00 C ATOM 57 OG1 THR A 5 9.696 10.233 7.727 1.00 0.00 O ATOM 58 CG2 THR A 5 8.794 8.395 9.010 1.00 0.00 C ATOM 0 H THR A 5 7.794 9.833 11.097 1.00 0.00 H new ATOM 0 HA THR A 5 8.092 11.783 9.136 1.00 0.00 H new ATOM 0 HB THR A 5 9.784 10.115 9.790 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.503 9.693 7.594 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.715 7.837 8.842 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.379 8.127 9.982 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.074 8.151 8.229 1.00 0.00 H new ATOM 66 N ALA A 6 6.675 11.318 7.154 1.00 0.00 N ATOM 67 CA ALA A 6 5.672 11.229 6.096 1.00 0.00 C ATOM 68 C ALA A 6 4.258 11.177 6.679 1.00 0.00 C ATOM 69 O ALA A 6 3.599 10.136 6.651 1.00 0.00 O ATOM 70 CB ALA A 6 5.939 10.028 5.200 1.00 0.00 C ATOM 0 H ALA A 6 7.296 12.122 7.067 1.00 0.00 H new ATOM 0 HA ALA A 6 5.745 12.129 5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.180 9.981 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.924 10.126 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.904 9.115 5.795 1.00 0.00 H new ATOM 76 N PRO A 7 3.772 12.305 7.223 1.00 0.00 N ATOM 77 CA PRO A 7 2.425 12.395 7.793 1.00 0.00 C ATOM 78 C PRO A 7 1.356 12.411 6.707 1.00 0.00 C ATOM 79 O PRO A 7 0.167 12.235 6.974 1.00 0.00 O ATOM 80 CB PRO A 7 2.429 13.729 8.556 1.00 0.00 C ATOM 81 CG PRO A 7 3.845 14.204 8.542 1.00 0.00 C ATOM 82 CD PRO A 7 4.488 13.579 7.339 1.00 0.00 C ATOM 0 HA PRO A 7 2.194 11.539 8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.769 14.454 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.072 13.596 9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.890 15.292 8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.362 13.911 9.456 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.367 14.195 6.448 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.559 13.431 7.482 1.00 0.00 H new ATOM 90 N ASP A 8 1.796 12.611 5.476 1.00 0.00 N ATOM 91 CA ASP A 8 0.897 12.682 4.332 1.00 0.00 C ATOM 92 C ASP A 8 0.792 11.308 3.669 1.00 0.00 C ATOM 93 O ASP A 8 0.736 11.181 2.450 1.00 0.00 O ATOM 94 CB ASP A 8 1.416 13.735 3.346 1.00 0.00 C ATOM 95 CG ASP A 8 0.397 14.132 2.295 1.00 0.00 C ATOM 96 OD1 ASP A 8 -0.590 14.821 2.648 1.00 0.00 O ATOM 97 OD2 ASP A 8 0.603 13.798 1.111 1.00 0.00 O ATOM 0 H ASP A 8 2.781 12.728 5.240 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.100 12.975 4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.719 14.623 3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.307 13.349 2.850 1.00 0.00 H new ATOM 102 N ALA A 9 0.777 10.275 4.502 1.00 0.00 N ATOM 103 CA ALA A 9 0.706 8.901 4.035 1.00 0.00 C ATOM 104 C ALA A 9 -0.649 8.290 4.368 1.00 0.00 C ATOM 105 O ALA A 9 -1.246 8.626 5.392 1.00 0.00 O ATOM 106 CB ALA A 9 1.817 8.087 4.673 1.00 0.00 C ATOM 0 H ALA A 9 0.814 10.368 5.517 1.00 0.00 H new ATOM 0 HA ALA A 9 0.829 8.892 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.761 7.057 4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.783 8.512 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.706 8.106 5.757 1.00 0.00 H new ATOM 112 N PRO A 10 -1.158 7.397 3.503 1.00 0.00 N ATOM 113 CA PRO A 10 -2.435 6.712 3.726 1.00 0.00 C ATOM 114 C PRO A 10 -2.415 5.839 4.979 1.00 0.00 C ATOM 115 O PRO A 10 -1.529 4.994 5.141 1.00 0.00 O ATOM 116 CB PRO A 10 -2.604 5.830 2.480 1.00 0.00 C ATOM 117 CG PRO A 10 -1.685 6.408 1.461 1.00 0.00 C ATOM 118 CD PRO A 10 -0.537 6.990 2.230 1.00 0.00 C ATOM 0 HA PRO A 10 -3.247 7.424 3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.349 4.792 2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.636 5.839 2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.342 5.643 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.188 7.173 0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.256 6.259 2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.092 7.838 1.709 1.00 0.00 H new ATOM 126 N PRO A 11 -3.373 6.065 5.898 1.00 0.00 N ATOM 127 CA PRO A 11 -3.567 5.222 7.085 1.00 0.00 C ATOM 128 C PRO A 11 -3.618 3.735 6.739 1.00 0.00 C ATOM 129 O PRO A 11 -4.104 3.352 5.669 1.00 0.00 O ATOM 130 CB PRO A 11 -4.915 5.692 7.626 1.00 0.00 C ATOM 131 CG PRO A 11 -5.006 7.115 7.206 1.00 0.00 C ATOM 132 CD PRO A 11 -4.330 7.188 5.865 1.00 0.00 C ATOM 0 HA PRO A 11 -2.747 5.318 7.796 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.735 5.103 7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.964 5.594 8.710 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.045 7.438 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.516 7.768 7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.045 7.082 5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.823 8.143 5.723 1.00 0.00 H new ATOM 140 N ASP A 12 -3.125 2.918 7.669 1.00 0.00 N ATOM 141 CA ASP A 12 -2.971 1.473 7.480 1.00 0.00 C ATOM 142 C ASP A 12 -4.209 0.833 6.865 1.00 0.00 C ATOM 143 O ASP A 12 -5.293 0.862 7.451 1.00 0.00 O ATOM 144 CB ASP A 12 -2.658 0.802 8.820 1.00 0.00 C ATOM 145 CG ASP A 12 -1.339 1.266 9.402 1.00 0.00 C ATOM 146 OD1 ASP A 12 -1.302 2.358 10.008 1.00 0.00 O ATOM 147 OD2 ASP A 12 -0.333 0.545 9.260 1.00 0.00 O ATOM 0 H ASP A 12 -2.817 3.243 8.586 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.145 1.325 6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.460 1.016 9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.632 -0.279 8.685 1.00 0.00 H new ATOM 152 N PRO A 13 -4.047 0.251 5.662 1.00 0.00 N ATOM 153 CA PRO A 13 -5.137 -0.405 4.929 1.00 0.00 C ATOM 154 C PRO A 13 -5.802 -1.517 5.731 1.00 0.00 C ATOM 155 O PRO A 13 -5.156 -2.198 6.531 1.00 0.00 O ATOM 156 CB PRO A 13 -4.441 -0.992 3.697 1.00 0.00 C ATOM 157 CG PRO A 13 -3.214 -0.170 3.526 1.00 0.00 C ATOM 158 CD PRO A 13 -2.779 0.199 4.913 1.00 0.00 C ATOM 0 HA PRO A 13 -5.938 0.297 4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.195 -2.044 3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.081 -0.935 2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.436 -0.730 3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.418 0.719 2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.095 -0.540 5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.261 1.158 4.931 1.00 0.00 H new ATOM 166 N THR A 14 -7.093 -1.694 5.508 1.00 0.00 N ATOM 167 CA THR A 14 -7.862 -2.714 6.196 1.00 0.00 C ATOM 168 C THR A 14 -8.248 -3.828 5.230 1.00 0.00 C ATOM 169 O THR A 14 -8.638 -3.564 4.089 1.00 0.00 O ATOM 170 CB THR A 14 -9.140 -2.115 6.809 1.00 0.00 C ATOM 171 OG1 THR A 14 -8.824 -0.909 7.520 1.00 0.00 O ATOM 172 CG2 THR A 14 -9.806 -3.103 7.755 1.00 0.00 C ATOM 0 H THR A 14 -7.635 -1.137 4.848 1.00 0.00 H new ATOM 0 HA THR A 14 -7.240 -3.120 6.993 1.00 0.00 H new ATOM 0 HB THR A 14 -9.832 -1.891 5.997 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.642 -0.533 7.906 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.707 -2.655 8.174 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.072 -4.008 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.117 -3.356 8.561 1.00 0.00 H new ATOM 180 N VAL A 15 -8.129 -5.065 5.680 1.00 0.00 N ATOM 181 CA VAL A 15 -8.494 -6.209 4.865 1.00 0.00 C ATOM 182 C VAL A 15 -9.803 -6.822 5.352 1.00 0.00 C ATOM 183 O VAL A 15 -9.880 -7.343 6.466 1.00 0.00 O ATOM 184 CB VAL A 15 -7.382 -7.278 4.877 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.830 -8.531 4.144 1.00 0.00 C ATOM 186 CG2 VAL A 15 -6.105 -6.727 4.258 1.00 0.00 C ATOM 0 H VAL A 15 -7.781 -5.303 6.609 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.625 -5.856 3.842 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.177 -7.544 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.030 -9.271 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.715 -8.940 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.067 -8.282 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.332 -7.495 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.299 -6.430 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.769 -5.861 4.828 1.00 0.00 H new ATOM 196 N ASP A 16 -10.828 -6.752 4.513 1.00 0.00 N ATOM 197 CA ASP A 16 -12.138 -7.299 4.852 1.00 0.00 C ATOM 198 C ASP A 16 -12.554 -8.367 3.854 1.00 0.00 C ATOM 199 O ASP A 16 -11.993 -8.453 2.761 1.00 0.00 O ATOM 200 CB ASP A 16 -13.213 -6.202 4.876 1.00 0.00 C ATOM 201 CG ASP A 16 -13.068 -5.246 6.042 1.00 0.00 C ATOM 202 OD1 ASP A 16 -13.251 -5.678 7.199 1.00 0.00 O ATOM 203 OD2 ASP A 16 -12.798 -4.051 5.801 1.00 0.00 O ATOM 0 H ASP A 16 -10.779 -6.321 3.590 1.00 0.00 H new ATOM 0 HA ASP A 16 -12.052 -7.738 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -13.167 -5.638 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -14.197 -6.668 4.918 1.00 0.00 H new ATOM 208 N GLN A 17 -13.539 -9.169 4.255 1.00 0.00 N ATOM 209 CA GLN A 17 -14.161 -10.176 3.392 1.00 0.00 C ATOM 210 C GLN A 17 -13.130 -11.085 2.733 1.00 0.00 C ATOM 211 O GLN A 17 -12.784 -10.910 1.564 1.00 0.00 O ATOM 212 CB GLN A 17 -15.029 -9.509 2.324 1.00 0.00 C ATOM 213 CG GLN A 17 -16.092 -8.586 2.894 1.00 0.00 C ATOM 214 CD GLN A 17 -16.993 -8.003 1.825 1.00 0.00 C ATOM 215 OE1 GLN A 17 -17.266 -8.638 0.805 1.00 0.00 O ATOM 216 NE2 GLN A 17 -17.458 -6.787 2.051 1.00 0.00 N ATOM 0 H GLN A 17 -13.932 -9.139 5.196 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.790 -10.797 4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.388 -8.940 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -15.513 -10.282 1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.698 -9.137 3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.609 -7.775 3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -17.207 -6.296 2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -18.068 -6.339 1.367 1.00 0.00 H new ATOM 225 N VAL A 18 -12.649 -12.057 3.484 1.00 0.00 N ATOM 226 CA VAL A 18 -11.700 -13.015 2.952 1.00 0.00 C ATOM 227 C VAL A 18 -12.432 -14.208 2.332 1.00 0.00 C ATOM 228 O VAL A 18 -13.240 -14.872 2.985 1.00 0.00 O ATOM 229 CB VAL A 18 -10.704 -13.489 4.042 1.00 0.00 C ATOM 230 CG1 VAL A 18 -11.430 -14.070 5.249 1.00 0.00 C ATOM 231 CG2 VAL A 18 -9.715 -14.497 3.471 1.00 0.00 C ATOM 0 H VAL A 18 -12.899 -12.204 4.462 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.124 -12.517 2.172 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.148 -12.615 4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.700 -14.392 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.080 -13.310 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.030 -14.924 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.027 -14.815 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.257 -15.363 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.153 -14.035 2.659 1.00 0.00 H new ATOM 241 N ASP A 19 -12.173 -14.442 1.053 1.00 0.00 N ATOM 242 CA ASP A 19 -12.745 -15.580 0.346 1.00 0.00 C ATOM 243 C ASP A 19 -11.859 -16.799 0.538 1.00 0.00 C ATOM 244 O ASP A 19 -11.063 -16.859 1.479 1.00 0.00 O ATOM 245 CB ASP A 19 -12.872 -15.302 -1.158 1.00 0.00 C ATOM 246 CG ASP A 19 -13.779 -14.138 -1.496 1.00 0.00 C ATOM 247 OD1 ASP A 19 -15.013 -14.323 -1.504 1.00 0.00 O ATOM 248 OD2 ASP A 19 -13.256 -13.044 -1.798 1.00 0.00 O ATOM 0 H ASP A 19 -11.566 -13.855 0.481 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.739 -15.758 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.880 -15.106 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.249 -16.198 -1.652 1.00 0.00 H new ATOM 253 N ASP A 20 -11.986 -17.764 -0.356 1.00 0.00 N ATOM 254 CA ASP A 20 -11.141 -18.947 -0.317 1.00 0.00 C ATOM 255 C ASP A 20 -9.711 -18.597 -0.722 1.00 0.00 C ATOM 256 O ASP A 20 -8.758 -19.165 -0.193 1.00 0.00 O ATOM 257 CB ASP A 20 -11.697 -20.045 -1.230 1.00 0.00 C ATOM 258 CG ASP A 20 -11.683 -19.658 -2.695 1.00 0.00 C ATOM 259 OD1 ASP A 20 -12.614 -18.946 -3.133 1.00 0.00 O ATOM 260 OD2 ASP A 20 -10.744 -20.061 -3.411 1.00 0.00 O ATOM 0 H ASP A 20 -12.665 -17.753 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 20 -11.133 -19.323 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.111 -20.954 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.719 -20.276 -0.930 1.00 0.00 H new ATOM 265 N THR A 21 -9.566 -17.650 -1.652 1.00 0.00 N ATOM 266 CA THR A 21 -8.248 -17.241 -2.130 1.00 0.00 C ATOM 267 C THR A 21 -8.209 -15.763 -2.529 1.00 0.00 C ATOM 268 O THR A 21 -7.433 -15.373 -3.402 1.00 0.00 O ATOM 269 CB THR A 21 -7.798 -18.087 -3.342 1.00 0.00 C ATOM 270 OG1 THR A 21 -8.914 -18.335 -4.205 1.00 0.00 O ATOM 271 CG2 THR A 21 -7.176 -19.405 -2.908 1.00 0.00 C ATOM 0 H THR A 21 -10.344 -17.155 -2.087 1.00 0.00 H new ATOM 0 HA THR A 21 -7.566 -17.401 -1.295 1.00 0.00 H new ATOM 0 HB THR A 21 -7.037 -17.521 -3.880 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.309 -19.205 -3.987 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.872 -19.971 -3.788 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.304 -19.208 -2.285 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.905 -19.982 -2.339 1.00 0.00 H new ATOM 279 N SER A 22 -9.035 -14.939 -1.900 1.00 0.00 N ATOM 280 CA SER A 22 -9.061 -13.518 -2.220 1.00 0.00 C ATOM 281 C SER A 22 -9.502 -12.681 -1.024 1.00 0.00 C ATOM 282 O SER A 22 -10.146 -13.187 -0.108 1.00 0.00 O ATOM 283 CB SER A 22 -9.969 -13.261 -3.428 1.00 0.00 C ATOM 284 OG SER A 22 -11.189 -13.973 -3.318 1.00 0.00 O ATOM 0 H SER A 22 -9.690 -15.225 -1.172 1.00 0.00 H new ATOM 0 HA SER A 22 -8.046 -13.214 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.175 -12.194 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.454 -13.557 -4.342 1.00 0.00 H new ATOM 0 HG SER A 22 -11.830 -13.446 -2.797 1.00 0.00 H new ATOM 290 N ILE A 23 -9.128 -11.408 -1.035 1.00 0.00 N ATOM 291 CA ILE A 23 -9.488 -10.482 0.035 1.00 0.00 C ATOM 292 C ILE A 23 -9.924 -9.148 -0.551 1.00 0.00 C ATOM 293 O ILE A 23 -9.656 -8.861 -1.719 1.00 0.00 O ATOM 294 CB ILE A 23 -8.301 -10.188 0.980 1.00 0.00 C ATOM 295 CG1 ILE A 23 -7.201 -9.448 0.209 1.00 0.00 C ATOM 296 CG2 ILE A 23 -7.763 -11.470 1.600 1.00 0.00 C ATOM 297 CD1 ILE A 23 -6.167 -8.778 1.085 1.00 0.00 C ATOM 0 H ILE A 23 -8.571 -10.989 -1.779 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.292 -10.960 0.595 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.650 -9.554 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.698 -10.155 -0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.664 -8.694 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.929 -11.233 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.552 -11.956 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.422 -12.141 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.428 -8.279 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.654 -8.044 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.672 -9.528 1.703 1.00 0.00 H new ATOM 309 N VAL A 24 -10.575 -8.332 0.260 1.00 0.00 N ATOM 310 CA VAL A 24 -10.844 -6.957 -0.114 1.00 0.00 C ATOM 311 C VAL A 24 -9.987 -6.023 0.734 1.00 0.00 C ATOM 312 O VAL A 24 -10.247 -5.828 1.922 1.00 0.00 O ATOM 313 CB VAL A 24 -12.330 -6.585 0.054 1.00 0.00 C ATOM 314 CG1 VAL A 24 -12.582 -5.169 -0.441 1.00 0.00 C ATOM 315 CG2 VAL A 24 -13.222 -7.575 -0.682 1.00 0.00 C ATOM 0 H VAL A 24 -10.926 -8.598 1.180 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.596 -6.849 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.576 -6.630 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.636 -4.922 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.974 -4.469 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.316 -5.100 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -14.266 -7.292 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.976 -7.567 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.063 -8.576 -0.281 1.00 0.00 H new ATOM 325 N VAL A 25 -8.957 -5.463 0.122 1.00 0.00 N ATOM 326 CA VAL A 25 -8.056 -4.556 0.813 1.00 0.00 C ATOM 327 C VAL A 25 -8.387 -3.109 0.448 1.00 0.00 C ATOM 328 O VAL A 25 -8.397 -2.735 -0.727 1.00 0.00 O ATOM 329 CB VAL A 25 -6.567 -4.886 0.503 1.00 0.00 C ATOM 330 CG1 VAL A 25 -6.329 -5.032 -0.990 1.00 0.00 C ATOM 331 CG2 VAL A 25 -5.631 -3.841 1.087 1.00 0.00 C ATOM 0 H VAL A 25 -8.723 -5.622 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.197 -4.686 1.886 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.348 -5.842 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.279 -5.262 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.950 -5.839 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.588 -4.100 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.600 -4.104 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.864 -2.865 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.757 -3.803 2.169 1.00 0.00 H new ATOM 341 N ARG A 26 -8.705 -2.313 1.458 1.00 0.00 N ATOM 342 CA ARG A 26 -9.047 -0.912 1.254 1.00 0.00 C ATOM 343 C ARG A 26 -8.088 -0.026 2.029 1.00 0.00 C ATOM 344 O ARG A 26 -7.499 -0.458 3.017 1.00 0.00 O ATOM 345 CB ARG A 26 -10.477 -0.626 1.708 1.00 0.00 C ATOM 346 CG ARG A 26 -11.538 -1.414 0.958 1.00 0.00 C ATOM 347 CD ARG A 26 -12.924 -1.130 1.514 1.00 0.00 C ATOM 348 NE ARG A 26 -13.283 0.282 1.400 1.00 0.00 N ATOM 349 CZ ARG A 26 -14.305 0.851 2.039 1.00 0.00 C ATOM 350 NH1 ARG A 26 -15.069 0.136 2.861 1.00 0.00 N ATOM 351 NH2 ARG A 26 -14.558 2.141 1.862 1.00 0.00 N ATOM 0 H ARG A 26 -8.734 -2.615 2.432 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.968 -0.697 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.560 -0.848 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.678 0.438 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.507 -1.156 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.324 -2.480 1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.659 -1.735 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.963 -1.430 2.561 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.714 0.871 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.874 -0.855 3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.849 0.579 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.971 2.695 1.238 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.339 2.579 2.350 1.00 0.00 H new ATOM 365 N TRP A 27 -7.944 1.211 1.584 1.00 0.00 N ATOM 366 CA TRP A 27 -7.035 2.150 2.218 1.00 0.00 C ATOM 367 C TRP A 27 -7.566 3.572 2.088 1.00 0.00 C ATOM 368 O TRP A 27 -8.129 3.944 1.056 1.00 0.00 O ATOM 369 CB TRP A 27 -5.638 2.042 1.594 1.00 0.00 C ATOM 370 CG TRP A 27 -5.640 2.176 0.101 1.00 0.00 C ATOM 371 CD1 TRP A 27 -5.539 3.331 -0.615 1.00 0.00 C ATOM 372 CD2 TRP A 27 -5.748 1.117 -0.858 1.00 0.00 C ATOM 373 NE1 TRP A 27 -5.591 3.057 -1.958 1.00 0.00 N ATOM 374 CE2 TRP A 27 -5.711 1.706 -2.134 1.00 0.00 C ATOM 375 CE3 TRP A 27 -5.872 -0.272 -0.762 1.00 0.00 C ATOM 376 CZ2 TRP A 27 -5.796 0.957 -3.304 1.00 0.00 C ATOM 377 CZ3 TRP A 27 -5.954 -1.015 -1.924 1.00 0.00 C ATOM 378 CH2 TRP A 27 -5.915 -0.398 -3.181 1.00 0.00 C ATOM 0 H TRP A 27 -8.448 1.589 0.782 1.00 0.00 H new ATOM 0 HA TRP A 27 -6.963 1.903 3.277 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.998 2.814 2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.201 1.081 1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -5.434 4.317 -0.188 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -5.547 3.750 -2.705 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.903 -0.756 0.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.769 1.430 -4.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.050 -2.089 -1.862 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.980 -1.006 -4.071 1.00 0.00 H new ATOM 389 N SER A 28 -7.388 4.361 3.132 1.00 0.00 N ATOM 390 CA SER A 28 -7.876 5.728 3.143 1.00 0.00 C ATOM 391 C SER A 28 -6.768 6.695 2.739 1.00 0.00 C ATOM 392 O SER A 28 -5.642 6.590 3.213 1.00 0.00 O ATOM 393 CB SER A 28 -8.401 6.073 4.536 1.00 0.00 C ATOM 394 OG SER A 28 -9.327 5.094 4.980 1.00 0.00 O ATOM 0 H SER A 28 -6.907 4.077 3.986 1.00 0.00 H new ATOM 0 HA SER A 28 -8.688 5.820 2.422 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.569 6.139 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.880 7.052 4.517 1.00 0.00 H new ATOM 0 HG SER A 28 -9.651 5.331 5.874 1.00 0.00 H new ATOM 400 N ARG A 29 -7.086 7.612 1.840 1.00 0.00 N ATOM 401 CA ARG A 29 -6.127 8.623 1.410 1.00 0.00 C ATOM 402 C ARG A 29 -6.220 9.854 2.311 1.00 0.00 C ATOM 403 O ARG A 29 -7.305 10.189 2.792 1.00 0.00 O ATOM 404 CB ARG A 29 -6.345 9.009 -0.066 1.00 0.00 C ATOM 405 CG ARG A 29 -7.545 9.916 -0.327 1.00 0.00 C ATOM 406 CD ARG A 29 -8.834 9.304 0.178 1.00 0.00 C ATOM 407 NE ARG A 29 -9.982 10.180 -0.028 1.00 0.00 N ATOM 408 CZ ARG A 29 -10.558 10.897 0.938 1.00 0.00 C ATOM 409 NH1 ARG A 29 -10.035 10.923 2.159 1.00 0.00 N ATOM 410 NH2 ARG A 29 -11.641 11.614 0.674 1.00 0.00 N ATOM 0 H ARG A 29 -8.000 7.679 1.392 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.126 8.201 1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.447 9.506 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.465 8.097 -0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.385 10.879 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.629 10.109 -1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.007 8.356 -0.331 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.736 9.081 1.241 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.368 10.249 -0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.188 10.393 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.481 11.473 2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.033 11.617 -0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.082 12.163 1.412 1.00 0.00 H new ATOM 424 N PRO A 30 -5.085 10.527 2.566 1.00 0.00 N ATOM 425 CA PRO A 30 -5.050 11.725 3.412 1.00 0.00 C ATOM 426 C PRO A 30 -5.676 12.940 2.726 1.00 0.00 C ATOM 427 O PRO A 30 -6.871 13.208 2.963 1.00 0.00 O ATOM 428 CB PRO A 30 -3.554 11.940 3.660 1.00 0.00 C ATOM 429 CG PRO A 30 -2.879 11.322 2.484 1.00 0.00 C ATOM 430 CD PRO A 30 -3.745 10.167 2.062 1.00 0.00 C ATOM 431 OXT PRO A 30 -4.980 13.619 1.937 1.00 0.00 O ATOM 0 HA PRO A 30 -5.627 11.600 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.315 13.000 3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.236 11.470 4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.770 12.043 1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.877 10.982 2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.745 10.042 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.396 9.228 2.491 1.00 0.00 H new TER 439 PRO A 30 ATOM 440 N MET B 31 -12.852 21.163 -6.898 1.00 0.00 N ATOM 441 CA MET B 31 -11.819 21.339 -5.852 1.00 0.00 C ATOM 442 C MET B 31 -11.660 22.813 -5.516 1.00 0.00 C ATOM 443 O MET B 31 -12.079 23.680 -6.282 1.00 0.00 O ATOM 444 CB MET B 31 -10.479 20.761 -6.310 1.00 0.00 C ATOM 445 CG MET B 31 -10.501 19.255 -6.510 1.00 0.00 C ATOM 446 SD MET B 31 -10.925 18.363 -5.003 1.00 0.00 S ATOM 447 CE MET B 31 -10.789 16.666 -5.562 1.00 0.00 C ATOM 0 HA MET B 31 -12.141 20.802 -4.960 1.00 0.00 H new ATOM 0 HB2 MET B 31 -10.188 21.239 -7.245 1.00 0.00 H new ATOM 0 HB3 MET B 31 -9.715 21.010 -5.573 1.00 0.00 H new ATOM 0 HG2 MET B 31 -11.221 19.006 -7.290 1.00 0.00 H new ATOM 0 HG3 MET B 31 -9.523 18.924 -6.861 1.00 0.00 H new ATOM 0 HE1 MET B 31 -11.023 15.992 -4.738 1.00 0.00 H new ATOM 0 HE2 MET B 31 -11.489 16.495 -6.380 1.00 0.00 H new ATOM 0 HE3 MET B 31 -9.773 16.477 -5.908 1.00 0.00 H new ATOM 459 N ARG B 32 -11.056 23.093 -4.371 1.00 0.00 N ATOM 460 CA ARG B 32 -10.868 24.462 -3.922 1.00 0.00 C ATOM 461 C ARG B 32 -9.408 24.700 -3.565 1.00 0.00 C ATOM 462 O ARG B 32 -9.022 24.642 -2.397 1.00 0.00 O ATOM 463 CB ARG B 32 -11.765 24.744 -2.715 1.00 0.00 C ATOM 464 CG ARG B 32 -11.723 26.185 -2.235 1.00 0.00 C ATOM 465 CD ARG B 32 -12.648 26.389 -1.050 1.00 0.00 C ATOM 466 NE ARG B 32 -14.021 25.998 -1.363 1.00 0.00 N ATOM 467 CZ ARG B 32 -14.715 25.090 -0.678 1.00 0.00 C ATOM 468 NH1 ARG B 32 -14.173 24.476 0.371 1.00 0.00 N ATOM 469 NH2 ARG B 32 -15.957 24.799 -1.043 1.00 0.00 N ATOM 0 H ARG B 32 -10.687 22.387 -3.735 1.00 0.00 H new ATOM 0 HA ARG B 32 -11.143 25.141 -4.729 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -12.793 24.488 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -11.469 24.090 -1.895 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -10.703 26.449 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -12.014 26.851 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -12.288 25.806 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -12.628 27.436 -0.748 1.00 0.00 H new ATOM 0 HE ARG B 32 -14.477 26.449 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -13.219 24.699 0.656 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -14.711 23.782 0.890 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -16.376 25.270 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -16.492 24.105 -0.522 1.00 0.00 H new ATOM 483 N GLY B 33 -8.597 24.951 -4.575 1.00 0.00 N ATOM 484 CA GLY B 33 -7.191 25.178 -4.346 1.00 0.00 C ATOM 485 C GLY B 33 -6.524 25.849 -5.520 1.00 0.00 C ATOM 486 O GLY B 33 -6.062 25.183 -6.448 1.00 0.00 O ATOM 0 H GLY B 33 -8.888 25.002 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -7.064 25.795 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -6.699 24.226 -4.146 1.00 0.00 H new ATOM 490 N SER B 34 -6.490 27.170 -5.492 1.00 0.00 N ATOM 491 CA SER B 34 -5.827 27.933 -6.533 1.00 0.00 C ATOM 492 C SER B 34 -4.328 28.001 -6.260 1.00 0.00 C ATOM 493 O SER B 34 -3.520 28.148 -7.177 1.00 0.00 O ATOM 494 CB SER B 34 -6.433 29.335 -6.621 1.00 0.00 C ATOM 495 OG SER B 34 -6.506 29.945 -5.342 1.00 0.00 O ATOM 0 H SER B 34 -6.915 27.737 -4.758 1.00 0.00 H new ATOM 0 HA SER B 34 -5.975 27.436 -7.492 1.00 0.00 H new ATOM 0 HB2 SER B 34 -5.831 29.953 -7.287 1.00 0.00 H new ATOM 0 HB3 SER B 34 -7.431 29.276 -7.056 1.00 0.00 H new ATOM 0 HG SER B 34 -6.895 30.840 -5.428 1.00 0.00 H new ATOM 501 N ASN B 35 -3.964 27.877 -4.989 1.00 0.00 N ATOM 502 CA ASN B 35 -2.563 27.896 -4.586 1.00 0.00 C ATOM 503 C ASN B 35 -1.971 26.501 -4.692 1.00 0.00 C ATOM 504 O ASN B 35 -0.820 26.331 -5.088 1.00 0.00 O ATOM 505 CB ASN B 35 -2.412 28.405 -3.150 1.00 0.00 C ATOM 506 CG ASN B 35 -2.954 29.807 -2.955 1.00 0.00 C ATOM 507 OD1 ASN B 35 -2.962 30.618 -3.880 1.00 0.00 O ATOM 508 ND2 ASN B 35 -3.408 30.101 -1.747 1.00 0.00 N ATOM 0 H ASN B 35 -4.622 27.762 -4.218 1.00 0.00 H new ATOM 0 HA ASN B 35 -2.029 28.572 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -2.930 27.725 -2.474 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -1.358 28.388 -2.874 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.783 31.030 -1.555 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -3.383 29.399 -1.008 1.00 0.00 H new ATOM 515 N ALA B 36 -2.772 25.505 -4.337 1.00 0.00 N ATOM 516 CA ALA B 36 -2.335 24.121 -4.372 1.00 0.00 C ATOM 517 C ALA B 36 -3.302 23.263 -5.187 1.00 0.00 C ATOM 518 O ALA B 36 -4.422 22.989 -4.748 1.00 0.00 O ATOM 519 CB ALA B 36 -2.207 23.581 -2.957 1.00 0.00 C ATOM 0 H ALA B 36 -3.733 25.634 -4.020 1.00 0.00 H new ATOM 0 HA ALA B 36 -1.359 24.079 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.879 22.542 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.477 24.174 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -3.174 23.639 -2.457 1.00 0.00 H new ATOM 525 N PRO B 37 -2.887 22.845 -6.394 1.00 0.00 N ATOM 526 CA PRO B 37 -3.699 21.995 -7.271 1.00 0.00 C ATOM 527 C PRO B 37 -3.771 20.547 -6.783 1.00 0.00 C ATOM 528 O PRO B 37 -3.187 19.649 -7.396 1.00 0.00 O ATOM 529 CB PRO B 37 -2.971 22.058 -8.626 1.00 0.00 C ATOM 530 CG PRO B 37 -1.928 23.117 -8.480 1.00 0.00 C ATOM 531 CD PRO B 37 -1.604 23.185 -7.018 1.00 0.00 C ATOM 0 HA PRO B 37 -4.733 22.339 -7.310 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -2.520 21.097 -8.872 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -3.664 22.301 -9.431 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -1.041 22.873 -9.065 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -2.295 24.077 -8.843 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -0.819 22.480 -6.743 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -1.260 24.177 -6.724 1.00 0.00 H new ATOM 539 N GLN B 38 -4.504 20.336 -5.689 1.00 0.00 N ATOM 540 CA GLN B 38 -4.680 19.012 -5.086 1.00 0.00 C ATOM 541 C GLN B 38 -3.337 18.437 -4.632 1.00 0.00 C ATOM 542 O GLN B 38 -2.718 17.638 -5.340 1.00 0.00 O ATOM 543 CB GLN B 38 -5.360 18.044 -6.061 1.00 0.00 C ATOM 544 CG GLN B 38 -6.689 18.540 -6.609 1.00 0.00 C ATOM 545 CD GLN B 38 -7.341 17.527 -7.532 1.00 0.00 C ATOM 546 OE1 GLN B 38 -7.170 16.321 -7.368 1.00 0.00 O ATOM 547 NE2 GLN B 38 -8.082 18.006 -8.516 1.00 0.00 N ATOM 0 H GLN B 38 -4.995 21.081 -5.194 1.00 0.00 H new ATOM 0 HA GLN B 38 -5.324 19.133 -4.215 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -4.685 17.853 -6.895 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -5.521 17.091 -5.556 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -7.362 18.761 -5.781 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -6.532 19.473 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -8.201 19.014 -8.621 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -8.535 17.368 -9.171 1.00 0.00 H new ATOM 556 N PRO B 39 -2.879 18.838 -3.430 1.00 0.00 N ATOM 557 CA PRO B 39 -1.586 18.411 -2.882 1.00 0.00 C ATOM 558 C PRO B 39 -1.460 16.894 -2.781 1.00 0.00 C ATOM 559 O PRO B 39 -0.636 16.286 -3.462 1.00 0.00 O ATOM 560 CB PRO B 39 -1.555 19.032 -1.483 1.00 0.00 C ATOM 561 CG PRO B 39 -2.534 20.150 -1.529 1.00 0.00 C ATOM 562 CD PRO B 39 -3.595 19.742 -2.511 1.00 0.00 C ATOM 0 HA PRO B 39 -0.763 18.726 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO B 39 -1.828 18.301 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO B 39 -0.557 19.393 -1.235 1.00 0.00 H new ATOM 0 HG2 PRO B 39 -2.965 20.330 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO B 39 -2.052 21.077 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -4.427 19.238 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO B 39 -4.010 20.603 -3.036 1.00 0.00 H new ATOM 570 N SER B 40 -2.291 16.287 -1.947 1.00 0.00 N ATOM 571 CA SER B 40 -2.223 14.853 -1.718 1.00 0.00 C ATOM 572 C SER B 40 -3.107 14.097 -2.708 1.00 0.00 C ATOM 573 O SER B 40 -3.952 13.286 -2.322 1.00 0.00 O ATOM 574 CB SER B 40 -2.623 14.531 -0.277 1.00 0.00 C ATOM 575 OG SER B 40 -3.874 15.113 0.054 1.00 0.00 O ATOM 0 H SER B 40 -3.020 16.766 -1.418 1.00 0.00 H new ATOM 0 HA SER B 40 -1.195 14.527 -1.876 1.00 0.00 H new ATOM 0 HB2 SER B 40 -2.676 13.450 -0.145 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.857 14.898 0.406 1.00 0.00 H new ATOM 0 HG SER B 40 -4.130 14.845 0.961 1.00 0.00 H new ATOM 581 N HIS B 41 -2.917 14.372 -3.990 1.00 0.00 N ATOM 582 CA HIS B 41 -3.657 13.673 -5.026 1.00 0.00 C ATOM 583 C HIS B 41 -2.832 12.510 -5.554 1.00 0.00 C ATOM 584 O HIS B 41 -1.830 12.707 -6.247 1.00 0.00 O ATOM 585 CB HIS B 41 -4.032 14.618 -6.169 1.00 0.00 C ATOM 586 CG HIS B 41 -4.940 13.994 -7.188 1.00 0.00 C ATOM 587 ND1 HIS B 41 -4.680 14.002 -8.541 1.00 0.00 N ATOM 588 CD2 HIS B 41 -6.121 13.348 -7.041 1.00 0.00 C ATOM 589 CE1 HIS B 41 -5.662 13.391 -9.180 1.00 0.00 C ATOM 590 NE2 HIS B 41 -6.548 12.985 -8.293 1.00 0.00 N ATOM 0 H HIS B 41 -2.259 15.071 -4.335 1.00 0.00 H new ATOM 0 HA HIS B 41 -4.580 13.291 -4.590 1.00 0.00 H new ATOM 0 HB2 HIS B 41 -4.517 15.502 -5.755 1.00 0.00 H new ATOM 0 HB3 HIS B 41 -3.122 14.956 -6.664 1.00 0.00 H new ATOM 0 HD2 HIS B 41 -6.632 13.154 -6.110 1.00 0.00 H new ATOM 0 HE1 HIS B 41 -5.727 13.248 -10.249 1.00 0.00 H new ATOM 0 HE2 HIS B 41 -7.411 12.483 -8.503 1.00 0.00 H new ATOM 599 N ILE B 42 -3.254 11.305 -5.218 1.00 0.00 N ATOM 600 CA ILE B 42 -2.550 10.111 -5.641 1.00 0.00 C ATOM 601 C ILE B 42 -2.956 9.753 -7.063 1.00 0.00 C ATOM 602 O ILE B 42 -4.143 9.651 -7.376 1.00 0.00 O ATOM 603 CB ILE B 42 -2.829 8.903 -4.710 1.00 0.00 C ATOM 604 CG1 ILE B 42 -2.353 9.168 -3.271 1.00 0.00 C ATOM 605 CG2 ILE B 42 -2.151 7.655 -5.255 1.00 0.00 C ATOM 606 CD1 ILE B 42 -3.243 10.097 -2.471 1.00 0.00 C ATOM 0 H ILE B 42 -4.084 11.128 -4.652 1.00 0.00 H new ATOM 0 HA ILE B 42 -1.483 10.329 -5.593 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.908 8.752 -4.683 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.280 8.216 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.349 9.590 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -2.353 6.813 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.538 7.436 -6.250 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.075 7.821 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.829 10.225 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -3.298 11.066 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -4.243 9.670 -2.398 1.00 0.00 H new ATOM 618 N SER B 43 -1.964 9.586 -7.923 1.00 0.00 N ATOM 619 CA SER B 43 -2.203 9.241 -9.312 1.00 0.00 C ATOM 620 C SER B 43 -2.475 7.748 -9.454 1.00 0.00 C ATOM 621 O SER B 43 -3.341 7.333 -10.224 1.00 0.00 O ATOM 622 CB SER B 43 -0.997 9.649 -10.156 1.00 0.00 C ATOM 623 OG SER B 43 -0.704 11.026 -9.977 1.00 0.00 O ATOM 0 H SER B 43 -0.979 9.685 -7.679 1.00 0.00 H new ATOM 0 HA SER B 43 -3.083 9.779 -9.665 1.00 0.00 H new ATOM 0 HB2 SER B 43 -0.131 9.048 -9.877 1.00 0.00 H new ATOM 0 HB3 SER B 43 -1.198 9.448 -11.208 1.00 0.00 H new ATOM 0 HG SER B 43 0.072 11.269 -10.524 1.00 0.00 H new ATOM 629 N LYS B 44 -1.737 6.943 -8.698 1.00 0.00 N ATOM 630 CA LYS B 44 -1.910 5.500 -8.729 1.00 0.00 C ATOM 631 C LYS B 44 -1.417 4.868 -7.433 1.00 0.00 C ATOM 632 O LYS B 44 -0.409 5.291 -6.864 1.00 0.00 O ATOM 633 CB LYS B 44 -1.174 4.892 -9.932 1.00 0.00 C ATOM 634 CG LYS B 44 0.307 5.241 -10.001 1.00 0.00 C ATOM 635 CD LYS B 44 0.954 4.660 -11.247 1.00 0.00 C ATOM 636 CE LYS B 44 2.391 5.132 -11.411 1.00 0.00 C ATOM 637 NZ LYS B 44 2.477 6.594 -11.677 1.00 0.00 N ATOM 0 H LYS B 44 -1.013 7.268 -8.057 1.00 0.00 H new ATOM 0 HA LYS B 44 -2.975 5.290 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -1.279 3.808 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -1.658 5.230 -10.848 1.00 0.00 H new ATOM 0 HG2 LYS B 44 0.428 6.324 -9.997 1.00 0.00 H new ATOM 0 HG3 LYS B 44 0.814 4.861 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS B 44 0.933 3.572 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS B 44 0.375 4.947 -12.125 1.00 0.00 H new ATOM 0 HE2 LYS B 44 2.954 4.895 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS B 44 2.859 4.587 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 3.437 6.833 -11.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 1.791 6.854 -12.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.263 7.119 -10.805 1.00 0.00 H new ATOM 651 N TYR B 45 -2.151 3.873 -6.964 1.00 0.00 N ATOM 652 CA TYR B 45 -1.757 3.104 -5.797 1.00 0.00 C ATOM 653 C TYR B 45 -1.162 1.783 -6.251 1.00 0.00 C ATOM 654 O TYR B 45 -1.756 1.082 -7.068 1.00 0.00 O ATOM 655 CB TYR B 45 -2.958 2.812 -4.893 1.00 0.00 C ATOM 656 CG TYR B 45 -3.695 4.030 -4.380 1.00 0.00 C ATOM 657 CD1 TYR B 45 -4.926 4.393 -4.914 1.00 0.00 C ATOM 658 CD2 TYR B 45 -3.180 4.796 -3.343 1.00 0.00 C ATOM 659 CE1 TYR B 45 -5.620 5.485 -4.428 1.00 0.00 C ATOM 660 CE2 TYR B 45 -3.867 5.892 -2.855 1.00 0.00 C ATOM 661 CZ TYR B 45 -5.087 6.231 -3.400 1.00 0.00 C ATOM 662 OH TYR B 45 -5.779 7.316 -2.914 1.00 0.00 O ATOM 0 H TYR B 45 -3.034 3.577 -7.380 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.028 3.687 -5.234 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -3.662 2.187 -5.443 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.615 2.229 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -5.347 3.812 -5.722 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.227 4.531 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -6.576 5.752 -4.853 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.450 6.480 -2.051 1.00 0.00 H new ATOM 0 HH TYR B 45 -6.707 7.279 -3.227 1.00 0.00 H new ATOM 672 N ILE B 46 0.004 1.447 -5.741 1.00 0.00 N ATOM 673 CA ILE B 46 0.622 0.175 -6.063 1.00 0.00 C ATOM 674 C ILE B 46 0.551 -0.752 -4.858 1.00 0.00 C ATOM 675 O ILE B 46 1.103 -0.458 -3.796 1.00 0.00 O ATOM 676 CB ILE B 46 2.093 0.324 -6.543 1.00 0.00 C ATOM 677 CG1 ILE B 46 2.161 0.973 -7.935 1.00 0.00 C ATOM 678 CG2 ILE B 46 2.792 -1.030 -6.571 1.00 0.00 C ATOM 679 CD1 ILE B 46 1.824 2.449 -7.958 1.00 0.00 C ATOM 0 H ILE B 46 0.543 2.034 -5.104 1.00 0.00 H new ATOM 0 HA ILE B 46 0.063 -0.254 -6.895 1.00 0.00 H new ATOM 0 HB ILE B 46 2.605 0.973 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE B 46 3.165 0.836 -8.337 1.00 0.00 H new ATOM 0 HG13 ILE B 46 1.477 0.447 -8.601 1.00 0.00 H new ATOM 0 HG21 ILE B 46 3.820 -0.902 -6.910 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.791 -1.461 -5.570 1.00 0.00 H new ATOM 0 HG23 ILE B 46 2.266 -1.697 -7.254 1.00 0.00 H new ATOM 0 HD11 ILE B 46 1.897 2.823 -8.979 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.809 2.596 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE B 46 2.523 2.992 -7.322 1.00 0.00 H new ATOM 691 N LEU B 47 -0.156 -1.855 -5.026 1.00 0.00 N ATOM 692 CA LEU B 47 -0.309 -2.846 -3.974 1.00 0.00 C ATOM 693 C LEU B 47 0.728 -3.939 -4.190 1.00 0.00 C ATOM 694 O LEU B 47 0.683 -4.653 -5.190 1.00 0.00 O ATOM 695 CB LEU B 47 -1.731 -3.438 -4.022 1.00 0.00 C ATOM 696 CG LEU B 47 -2.314 -4.014 -2.713 1.00 0.00 C ATOM 697 CD1 LEU B 47 -1.412 -5.070 -2.096 1.00 0.00 C ATOM 698 CD2 LEU B 47 -2.598 -2.909 -1.709 1.00 0.00 C ATOM 0 H LEU B 47 -0.640 -2.089 -5.893 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.161 -2.388 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.407 -2.659 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.739 -4.231 -4.770 1.00 0.00 H new ATOM 0 HG LEU B 47 -3.254 -4.500 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -1.865 -5.444 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.282 -5.893 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.441 -4.631 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -3.008 -3.343 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.673 -2.382 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -3.318 -2.209 -2.133 1.00 0.00 H new ATOM 710 N ARG B 48 1.678 -4.038 -3.280 1.00 0.00 N ATOM 711 CA ARG B 48 2.695 -5.074 -3.360 1.00 0.00 C ATOM 712 C ARG B 48 2.550 -6.060 -2.219 1.00 0.00 C ATOM 713 O ARG B 48 2.653 -5.686 -1.054 1.00 0.00 O ATOM 714 CB ARG B 48 4.098 -4.467 -3.350 1.00 0.00 C ATOM 715 CG ARG B 48 4.520 -3.908 -4.689 1.00 0.00 C ATOM 716 CD ARG B 48 5.923 -3.334 -4.635 1.00 0.00 C ATOM 717 NE ARG B 48 6.276 -2.675 -5.885 1.00 0.00 N ATOM 718 CZ ARG B 48 7.289 -1.823 -6.023 1.00 0.00 C ATOM 719 NH1 ARG B 48 8.055 -1.519 -4.984 1.00 0.00 N ATOM 720 NH2 ARG B 48 7.536 -1.281 -7.206 1.00 0.00 N ATOM 0 H ARG B 48 1.769 -3.416 -2.477 1.00 0.00 H new ATOM 0 HA ARG B 48 2.553 -5.604 -4.302 1.00 0.00 H new ATOM 0 HB2 ARG B 48 4.137 -3.673 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG B 48 4.813 -5.229 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG B 48 4.476 -4.694 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG B 48 3.820 -3.132 -4.997 1.00 0.00 H new ATOM 0 HD2 ARG B 48 5.995 -2.621 -3.813 1.00 0.00 H new ATOM 0 HD3 ARG B 48 6.636 -4.132 -4.428 1.00 0.00 H new ATOM 0 HE ARG B 48 5.710 -2.880 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG B 48 7.869 -1.939 -4.073 1.00 0.00 H new ATOM 0 HH12 ARG B 48 8.830 -0.865 -5.096 1.00 0.00 H new ATOM 0 HH21 ARG B 48 6.951 -1.517 -8.007 1.00 0.00 H new ATOM 0 HH22 ARG B 48 8.311 -0.628 -7.316 1.00 0.00 H new ATOM 734 N TRP B 49 2.308 -7.316 -2.555 1.00 0.00 N ATOM 735 CA TRP B 49 2.191 -8.351 -1.545 1.00 0.00 C ATOM 736 C TRP B 49 3.156 -9.491 -1.831 1.00 0.00 C ATOM 737 O TRP B 49 3.444 -9.810 -2.988 1.00 0.00 O ATOM 738 CB TRP B 49 0.749 -8.870 -1.438 1.00 0.00 C ATOM 739 CG TRP B 49 0.258 -9.620 -2.641 1.00 0.00 C ATOM 740 CD1 TRP B 49 0.177 -10.976 -2.782 1.00 0.00 C ATOM 741 CD2 TRP B 49 -0.228 -9.060 -3.865 1.00 0.00 C ATOM 742 NE1 TRP B 49 -0.333 -11.292 -4.016 1.00 0.00 N ATOM 743 CE2 TRP B 49 -0.585 -10.133 -4.701 1.00 0.00 C ATOM 744 CE3 TRP B 49 -0.394 -7.757 -4.335 1.00 0.00 C ATOM 745 CZ2 TRP B 49 -1.102 -9.942 -5.980 1.00 0.00 C ATOM 746 CZ3 TRP B 49 -0.907 -7.566 -5.603 1.00 0.00 C ATOM 747 CH2 TRP B 49 -1.254 -8.652 -6.412 1.00 0.00 C ATOM 0 H TRP B 49 2.189 -7.641 -3.514 1.00 0.00 H new ATOM 0 HA TRP B 49 2.455 -7.910 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP B 49 0.676 -9.521 -0.567 1.00 0.00 H new ATOM 0 HB3 TRP B 49 0.086 -8.024 -1.260 1.00 0.00 H new ATOM 0 HD1 TRP B 49 0.471 -11.695 -2.032 1.00 0.00 H new ATOM 0 HE1 TRP B 49 -0.498 -12.236 -4.366 1.00 0.00 H new ATOM 0 HE3 TRP B 49 -0.126 -6.912 -3.718 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 -1.372 -10.779 -6.607 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 -1.042 -6.561 -5.976 1.00 0.00 H new ATOM 0 HH2 TRP B 49 -1.651 -8.469 -7.400 1.00 0.00 H new ATOM 758 N ARG B 50 3.668 -10.081 -0.768 1.00 0.00 N ATOM 759 CA ARG B 50 4.616 -11.174 -0.871 1.00 0.00 C ATOM 760 C ARG B 50 4.463 -12.101 0.328 1.00 0.00 C ATOM 761 O ARG B 50 4.473 -11.645 1.469 1.00 0.00 O ATOM 762 CB ARG B 50 6.044 -10.624 -0.921 1.00 0.00 C ATOM 763 CG ARG B 50 7.105 -11.673 -1.213 1.00 0.00 C ATOM 764 CD ARG B 50 8.502 -11.117 -0.998 1.00 0.00 C ATOM 765 NE ARG B 50 8.731 -10.764 0.402 1.00 0.00 N ATOM 766 CZ ARG B 50 9.898 -10.350 0.892 1.00 0.00 C ATOM 767 NH1 ARG B 50 10.952 -10.195 0.095 1.00 0.00 N ATOM 768 NH2 ARG B 50 10.003 -10.072 2.180 1.00 0.00 N ATOM 0 H ARG B 50 3.439 -9.817 0.190 1.00 0.00 H new ATOM 0 HA ARG B 50 4.418 -11.733 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG B 50 6.096 -9.848 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.272 -10.148 0.033 1.00 0.00 H new ATOM 0 HG2 ARG B 50 6.952 -12.538 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG B 50 7.003 -12.020 -2.241 1.00 0.00 H new ATOM 0 HD2 ARG B 50 9.240 -11.854 -1.313 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.644 -10.236 -1.624 1.00 0.00 H new ATOM 0 HE ARG B 50 7.944 -10.840 1.047 1.00 0.00 H new ATOM 0 HH11 ARG B 50 10.871 -10.394 -0.902 1.00 0.00 H new ATOM 0 HH12 ARG B 50 11.841 -9.877 0.481 1.00 0.00 H new ATOM 0 HH21 ARG B 50 9.193 -10.175 2.792 1.00 0.00 H new ATOM 0 HH22 ARG B 50 10.894 -9.754 2.562 1.00 0.00 H new ATOM 782 N PRO B 51 4.287 -13.407 0.089 1.00 0.00 N ATOM 783 CA PRO B 51 4.220 -14.399 1.166 1.00 0.00 C ATOM 784 C PRO B 51 5.505 -14.415 1.984 1.00 0.00 C ATOM 785 O PRO B 51 6.597 -14.254 1.443 1.00 0.00 O ATOM 786 CB PRO B 51 4.050 -15.732 0.428 1.00 0.00 C ATOM 787 CG PRO B 51 3.571 -15.374 -0.935 1.00 0.00 C ATOM 788 CD PRO B 51 4.143 -14.021 -1.241 1.00 0.00 C ATOM 0 HA PRO B 51 3.414 -14.189 1.869 1.00 0.00 H new ATOM 0 HB2 PRO B 51 4.992 -16.278 0.382 1.00 0.00 H new ATOM 0 HB3 PRO B 51 3.334 -16.375 0.939 1.00 0.00 H new ATOM 0 HG2 PRO B 51 3.900 -16.110 -1.668 1.00 0.00 H new ATOM 0 HG3 PRO B 51 2.482 -15.353 -0.971 1.00 0.00 H new ATOM 0 HD2 PRO B 51 5.101 -14.096 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO B 51 3.481 -13.440 -1.883 1.00 0.00 H new ATOM 796 N LYS B 52 5.361 -14.610 3.292 1.00 0.00 N ATOM 797 CA LYS B 52 6.496 -14.642 4.211 1.00 0.00 C ATOM 798 C LYS B 52 7.495 -15.734 3.835 1.00 0.00 C ATOM 799 O LYS B 52 8.687 -15.610 4.105 1.00 0.00 O ATOM 800 CB LYS B 52 6.007 -14.865 5.644 1.00 0.00 C ATOM 801 CG LYS B 52 5.574 -13.602 6.374 1.00 0.00 C ATOM 802 CD LYS B 52 6.746 -12.677 6.655 1.00 0.00 C ATOM 803 CE LYS B 52 6.344 -11.544 7.587 1.00 0.00 C ATOM 804 NZ LYS B 52 7.425 -10.534 7.739 1.00 0.00 N ATOM 0 H LYS B 52 4.457 -14.750 3.744 1.00 0.00 H new ATOM 0 HA LYS B 52 7.003 -13.680 4.141 1.00 0.00 H new ATOM 0 HB2 LYS B 52 5.168 -15.561 5.623 1.00 0.00 H new ATOM 0 HB3 LYS B 52 6.803 -15.343 6.215 1.00 0.00 H new ATOM 0 HG2 LYS B 52 4.831 -13.074 5.776 1.00 0.00 H new ATOM 0 HG3 LYS B 52 5.093 -13.873 7.314 1.00 0.00 H new ATOM 0 HD2 LYS B 52 7.562 -13.246 7.101 1.00 0.00 H new ATOM 0 HD3 LYS B 52 7.120 -12.265 5.718 1.00 0.00 H new ATOM 0 HE2 LYS B 52 5.447 -11.059 7.202 1.00 0.00 H new ATOM 0 HE3 LYS B 52 6.090 -11.953 8.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 7.135 -9.817 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 8.294 -11.002 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 7.603 -10.076 6.823 1.00 0.00 H new ATOM 818 N ASN B 53 7.003 -16.801 3.217 1.00 0.00 N ATOM 819 CA ASN B 53 7.855 -17.912 2.806 1.00 0.00 C ATOM 820 C ASN B 53 8.566 -17.603 1.491 1.00 0.00 C ATOM 821 O ASN B 53 9.484 -18.316 1.088 1.00 0.00 O ATOM 822 CB ASN B 53 7.036 -19.203 2.664 1.00 0.00 C ATOM 823 CG ASN B 53 5.988 -19.129 1.564 1.00 0.00 C ATOM 824 OD1 ASN B 53 4.851 -18.718 1.798 1.00 0.00 O ATOM 825 ND2 ASN B 53 6.358 -19.535 0.360 1.00 0.00 N ATOM 0 H ASN B 53 6.016 -16.921 2.989 1.00 0.00 H new ATOM 0 HA ASN B 53 8.607 -18.054 3.582 1.00 0.00 H new ATOM 0 HB2 ASN B 53 7.711 -20.033 2.458 1.00 0.00 H new ATOM 0 HB3 ASN B 53 6.544 -19.420 3.612 1.00 0.00 H new ATOM 0 HD21 ASN B 53 5.692 -19.514 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN B 53 7.309 -19.869 0.204 1.00 0.00 H new ATOM 832 N SER B 54 8.144 -16.538 0.830 1.00 0.00 N ATOM 833 CA SER B 54 8.706 -16.162 -0.455 1.00 0.00 C ATOM 834 C SER B 54 9.595 -14.932 -0.316 1.00 0.00 C ATOM 835 O SER B 54 9.228 -13.959 0.338 1.00 0.00 O ATOM 836 CB SER B 54 7.578 -15.891 -1.452 1.00 0.00 C ATOM 837 OG SER B 54 6.724 -17.017 -1.568 1.00 0.00 O ATOM 0 H SER B 54 7.409 -15.915 1.166 1.00 0.00 H new ATOM 0 HA SER B 54 9.320 -16.984 -0.823 1.00 0.00 H new ATOM 0 HB2 SER B 54 7.002 -15.024 -1.128 1.00 0.00 H new ATOM 0 HB3 SER B 54 8.000 -15.647 -2.427 1.00 0.00 H new ATOM 0 HG SER B 54 6.009 -16.821 -2.209 1.00 0.00 H new ATOM 843 N VAL B 55 10.775 -14.988 -0.909 1.00 0.00 N ATOM 844 CA VAL B 55 11.678 -13.861 -0.906 1.00 0.00 C ATOM 845 C VAL B 55 12.048 -13.481 -2.344 1.00 0.00 C ATOM 846 O VAL B 55 12.938 -12.663 -2.585 1.00 0.00 O ATOM 847 CB VAL B 55 12.943 -14.189 -0.086 1.00 0.00 C ATOM 848 CG1 VAL B 55 13.847 -15.164 -0.824 1.00 0.00 C ATOM 849 CG2 VAL B 55 13.683 -12.922 0.278 1.00 0.00 C ATOM 0 H VAL B 55 11.127 -15.809 -1.400 1.00 0.00 H new ATOM 0 HA VAL B 55 11.180 -13.011 -0.440 1.00 0.00 H new ATOM 0 HB VAL B 55 12.629 -14.676 0.837 1.00 0.00 H new ATOM 0 HG11 VAL B 55 14.728 -15.373 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL B 55 13.306 -16.092 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL B 55 14.155 -14.727 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL B 55 14.572 -13.173 0.856 1.00 0.00 H new ATOM 0 HG22 VAL B 55 13.977 -12.399 -0.632 1.00 0.00 H new ATOM 0 HG23 VAL B 55 13.034 -12.279 0.872 1.00 0.00 H new ATOM 859 N GLY B 56 11.342 -14.085 -3.296 1.00 0.00 N ATOM 860 CA GLY B 56 11.595 -13.825 -4.702 1.00 0.00 C ATOM 861 C GLY B 56 11.313 -12.392 -5.090 1.00 0.00 C ATOM 862 O GLY B 56 12.233 -11.586 -5.242 1.00 0.00 O ATOM 0 H GLY B 56 10.594 -14.755 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY B 56 12.635 -14.061 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY B 56 10.978 -14.489 -5.307 1.00 0.00 H new ATOM 866 N ARG B 57 10.046 -12.074 -5.244 1.00 0.00 N ATOM 867 CA ARG B 57 9.644 -10.727 -5.617 1.00 0.00 C ATOM 868 C ARG B 57 8.274 -10.388 -5.049 1.00 0.00 C ATOM 869 O ARG B 57 7.507 -11.275 -4.666 1.00 0.00 O ATOM 870 CB ARG B 57 9.628 -10.566 -7.136 1.00 0.00 C ATOM 871 CG ARG B 57 8.465 -11.251 -7.827 1.00 0.00 C ATOM 872 CD ARG B 57 8.434 -10.877 -9.292 1.00 0.00 C ATOM 873 NE ARG B 57 7.294 -11.462 -9.994 1.00 0.00 N ATOM 874 CZ ARG B 57 7.152 -11.462 -11.319 1.00 0.00 C ATOM 875 NH1 ARG B 57 8.079 -10.911 -12.092 1.00 0.00 N ATOM 876 NH2 ARG B 57 6.080 -12.019 -11.870 1.00 0.00 N ATOM 0 H ARG B 57 9.273 -12.727 -5.118 1.00 0.00 H new ATOM 0 HA ARG B 57 10.376 -10.037 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG B 57 9.602 -9.503 -7.376 1.00 0.00 H new ATOM 0 HB3 ARG B 57 10.559 -10.962 -7.541 1.00 0.00 H new ATOM 0 HG2 ARG B 57 8.556 -12.332 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG B 57 7.528 -10.962 -7.351 1.00 0.00 H new ATOM 0 HD2 ARG B 57 8.397 -9.792 -9.386 1.00 0.00 H new ATOM 0 HD3 ARG B 57 9.358 -11.207 -9.768 1.00 0.00 H new ATOM 0 HE ARG B 57 6.561 -11.898 -9.435 1.00 0.00 H new ATOM 0 HH11 ARG B 57 8.905 -10.485 -11.673 1.00 0.00 H new ATOM 0 HH12 ARG B 57 7.965 -10.914 -13.106 1.00 0.00 H new ATOM 0 HH21 ARG B 57 5.367 -12.446 -11.279 1.00 0.00 H new ATOM 0 HH22 ARG B 57 5.970 -12.020 -12.884 1.00 0.00 H new ATOM 890 N TRP B 58 7.985 -9.098 -4.989 1.00 0.00 N ATOM 891 CA TRP B 58 6.691 -8.618 -4.535 1.00 0.00 C ATOM 892 C TRP B 58 5.739 -8.511 -5.717 1.00 0.00 C ATOM 893 O TRP B 58 6.089 -7.941 -6.753 1.00 0.00 O ATOM 894 CB TRP B 58 6.831 -7.245 -3.868 1.00 0.00 C ATOM 895 CG TRP B 58 7.658 -7.249 -2.616 1.00 0.00 C ATOM 896 CD1 TRP B 58 9.018 -7.335 -2.526 1.00 0.00 C ATOM 897 CD2 TRP B 58 7.174 -7.143 -1.273 1.00 0.00 C ATOM 898 NE1 TRP B 58 9.407 -7.297 -1.210 1.00 0.00 N ATOM 899 CE2 TRP B 58 8.293 -7.180 -0.421 1.00 0.00 C ATOM 900 CE3 TRP B 58 5.902 -7.024 -0.707 1.00 0.00 C ATOM 901 CZ2 TRP B 58 8.179 -7.100 0.964 1.00 0.00 C ATOM 902 CZ3 TRP B 58 5.789 -6.945 0.667 1.00 0.00 C ATOM 903 CH2 TRP B 58 6.922 -6.983 1.490 1.00 0.00 C ATOM 0 H TRP B 58 8.637 -8.359 -5.252 1.00 0.00 H new ATOM 0 HA TRP B 58 6.294 -9.326 -3.807 1.00 0.00 H new ATOM 0 HB2 TRP B 58 7.276 -6.551 -4.581 1.00 0.00 H new ATOM 0 HB3 TRP B 58 5.837 -6.866 -3.632 1.00 0.00 H new ATOM 0 HD1 TRP B 58 9.690 -7.420 -3.367 1.00 0.00 H new ATOM 0 HE1 TRP B 58 10.369 -7.348 -0.874 1.00 0.00 H new ATOM 0 HE3 TRP B 58 5.023 -6.994 -1.333 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 9.051 -7.129 1.600 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 4.811 -6.852 1.115 1.00 0.00 H new ATOM 0 HH2 TRP B 58 6.800 -6.919 2.561 1.00 0.00 H new ATOM 914 N LYS B 59 4.548 -9.067 -5.568 1.00 0.00 N ATOM 915 CA LYS B 59 3.536 -8.970 -6.607 1.00 0.00 C ATOM 916 C LYS B 59 2.952 -7.568 -6.615 1.00 0.00 C ATOM 917 O LYS B 59 2.667 -7.009 -5.558 1.00 0.00 O ATOM 918 CB LYS B 59 2.436 -10.004 -6.380 1.00 0.00 C ATOM 919 CG LYS B 59 2.901 -11.438 -6.558 1.00 0.00 C ATOM 920 CD LYS B 59 1.783 -12.422 -6.257 1.00 0.00 C ATOM 921 CE LYS B 59 2.167 -13.835 -6.654 1.00 0.00 C ATOM 922 NZ LYS B 59 1.120 -14.821 -6.293 1.00 0.00 N ATOM 0 H LYS B 59 4.259 -9.589 -4.741 1.00 0.00 H new ATOM 0 HA LYS B 59 3.997 -9.172 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS B 59 2.038 -9.883 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS B 59 1.617 -9.808 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.252 -11.585 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.747 -11.633 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS B 59 1.547 -12.393 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS B 59 0.881 -12.125 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS B 59 2.345 -13.873 -7.729 1.00 0.00 H new ATOM 0 HE3 LYS B 59 3.103 -14.106 -6.166 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 1.424 -15.772 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 0.967 -14.804 -5.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 0.233 -14.579 -6.779 1.00 0.00 H new ATOM 936 N GLU B 60 2.778 -7.001 -7.799 1.00 0.00 N ATOM 937 CA GLU B 60 2.363 -5.613 -7.917 1.00 0.00 C ATOM 938 C GLU B 60 0.975 -5.496 -8.526 1.00 0.00 C ATOM 939 O GLU B 60 0.606 -6.256 -9.421 1.00 0.00 O ATOM 940 CB GLU B 60 3.361 -4.832 -8.775 1.00 0.00 C ATOM 941 CG GLU B 60 4.776 -4.837 -8.225 1.00 0.00 C ATOM 942 CD GLU B 60 5.727 -4.010 -9.057 1.00 0.00 C ATOM 943 OE1 GLU B 60 6.484 -4.592 -9.862 1.00 0.00 O ATOM 944 OE2 GLU B 60 5.727 -2.770 -8.904 1.00 0.00 O ATOM 0 H GLU B 60 2.917 -7.479 -8.689 1.00 0.00 H new ATOM 0 HA GLU B 60 2.335 -5.193 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU B 60 3.370 -5.254 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.020 -3.801 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU B 60 4.766 -4.455 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU B 60 5.139 -5.864 -8.178 1.00 0.00 H new ATOM 951 N ALA B 61 0.210 -4.544 -8.021 1.00 0.00 N ATOM 952 CA ALA B 61 -1.081 -4.203 -8.589 1.00 0.00 C ATOM 953 C ALA B 61 -1.223 -2.690 -8.658 1.00 0.00 C ATOM 954 O ALA B 61 -0.891 -1.992 -7.704 1.00 0.00 O ATOM 955 CB ALA B 61 -2.205 -4.804 -7.763 1.00 0.00 C ATOM 0 H ALA B 61 0.467 -3.986 -7.206 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.145 -4.615 -9.596 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.165 -4.537 -8.205 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -2.103 -5.889 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.155 -4.418 -6.745 1.00 0.00 H new ATOM 961 N THR B 62 -1.698 -2.185 -9.784 1.00 0.00 N ATOM 962 CA THR B 62 -1.831 -0.751 -9.968 1.00 0.00 C ATOM 963 C THR B 62 -3.298 -0.330 -9.915 1.00 0.00 C ATOM 964 O THR B 62 -4.086 -0.667 -10.800 1.00 0.00 O ATOM 965 CB THR B 62 -1.214 -0.312 -11.309 1.00 0.00 C ATOM 966 OG1 THR B 62 0.109 -0.854 -11.429 1.00 0.00 O ATOM 967 CG2 THR B 62 -1.153 1.203 -11.414 1.00 0.00 C ATOM 0 H THR B 62 -1.997 -2.745 -10.582 1.00 0.00 H new ATOM 0 HA THR B 62 -1.294 -0.262 -9.155 1.00 0.00 H new ATOM 0 HB THR B 62 -1.845 -0.687 -12.115 1.00 0.00 H new ATOM 0 HG1 THR B 62 0.500 -0.576 -12.283 1.00 0.00 H new ATOM 0 HG21 THR B 62 -0.713 1.484 -12.371 1.00 0.00 H new ATOM 0 HG22 THR B 62 -2.160 1.613 -11.343 1.00 0.00 H new ATOM 0 HG23 THR B 62 -0.542 1.600 -10.603 1.00 0.00 H new ATOM 975 N ILE B 63 -3.655 0.397 -8.869 1.00 0.00 N ATOM 976 CA ILE B 63 -5.021 0.854 -8.676 1.00 0.00 C ATOM 977 C ILE B 63 -5.099 2.364 -8.877 1.00 0.00 C ATOM 978 O ILE B 63 -4.372 3.113 -8.226 1.00 0.00 O ATOM 979 CB ILE B 63 -5.548 0.518 -7.255 1.00 0.00 C ATOM 980 CG1 ILE B 63 -5.405 -0.976 -6.943 1.00 0.00 C ATOM 981 CG2 ILE B 63 -7.002 0.942 -7.108 1.00 0.00 C ATOM 982 CD1 ILE B 63 -4.060 -1.361 -6.361 1.00 0.00 C ATOM 0 H ILE B 63 -3.010 0.686 -8.134 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.640 0.337 -9.409 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.941 1.075 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -6.188 -1.266 -6.243 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.569 -1.545 -7.858 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.353 0.698 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -7.086 2.017 -7.270 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.611 0.416 -7.843 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.040 -2.434 -6.169 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.271 -1.104 -7.068 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.900 -0.822 -5.427 1.00 0.00 H new ATOM 994 N PRO B 64 -5.962 2.826 -9.799 1.00 0.00 N ATOM 995 CA PRO B 64 -6.194 4.259 -10.027 1.00 0.00 C ATOM 996 C PRO B 64 -6.431 5.024 -8.725 1.00 0.00 C ATOM 997 O PRO B 64 -7.103 4.524 -7.813 1.00 0.00 O ATOM 998 CB PRO B 64 -7.454 4.270 -10.891 1.00 0.00 C ATOM 999 CG PRO B 64 -7.409 2.982 -11.635 1.00 0.00 C ATOM 1000 CD PRO B 64 -6.763 1.987 -10.710 1.00 0.00 C ATOM 0 HA PRO B 64 -5.336 4.747 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.353 4.344 -10.280 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.461 5.121 -11.572 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.412 2.659 -11.916 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -6.837 3.085 -12.557 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -7.507 1.403 -10.167 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -6.139 1.279 -11.256 1.00 0.00 H new ATOM 1008 N GLY B 65 -5.905 6.245 -8.656 1.00 0.00 N ATOM 1009 CA GLY B 65 -5.917 7.013 -7.419 1.00 0.00 C ATOM 1010 C GLY B 65 -7.271 7.613 -7.081 1.00 0.00 C ATOM 1011 O GLY B 65 -7.371 8.799 -6.765 1.00 0.00 O ATOM 0 H GLY B 65 -5.466 6.721 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -5.601 6.368 -6.599 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -5.183 7.816 -7.494 1.00 0.00 H new ATOM 1015 N HIS B 66 -8.309 6.792 -7.143 1.00 0.00 N ATOM 1016 CA HIS B 66 -9.661 7.223 -6.809 1.00 0.00 C ATOM 1017 C HIS B 66 -10.570 6.018 -6.585 1.00 0.00 C ATOM 1018 O HIS B 66 -11.788 6.117 -6.708 1.00 0.00 O ATOM 1019 CB HIS B 66 -10.238 8.139 -7.902 1.00 0.00 C ATOM 1020 CG HIS B 66 -10.054 7.629 -9.301 1.00 0.00 C ATOM 1021 ND1 HIS B 66 -9.227 8.241 -10.220 1.00 0.00 N ATOM 1022 CD2 HIS B 66 -10.594 6.562 -9.938 1.00 0.00 C ATOM 1023 CE1 HIS B 66 -9.268 7.574 -11.358 1.00 0.00 C ATOM 1024 NE2 HIS B 66 -10.087 6.552 -11.211 1.00 0.00 N ATOM 0 H HIS B 66 -8.240 5.814 -7.424 1.00 0.00 H new ATOM 0 HA HIS B 66 -9.610 7.795 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -11.303 8.279 -7.717 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -9.769 9.120 -7.822 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -11.293 5.852 -9.521 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -8.723 7.823 -12.257 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -10.308 5.863 -11.930 1.00 0.00 H new ATOM 1033 N LEU B 67 -9.967 4.880 -6.270 1.00 0.00 N ATOM 1034 CA LEU B 67 -10.726 3.670 -5.973 1.00 0.00 C ATOM 1035 C LEU B 67 -10.549 3.294 -4.510 1.00 0.00 C ATOM 1036 O LEU B 67 -11.532 3.094 -3.801 1.00 0.00 O ATOM 1037 CB LEU B 67 -10.279 2.508 -6.866 1.00 0.00 C ATOM 1038 CG LEU B 67 -10.475 2.719 -8.369 1.00 0.00 C ATOM 1039 CD1 LEU B 67 -10.112 1.456 -9.131 1.00 0.00 C ATOM 1040 CD2 LEU B 67 -11.907 3.128 -8.674 1.00 0.00 C ATOM 0 H LEU B 67 -8.955 4.768 -6.213 1.00 0.00 H new ATOM 0 HA LEU B 67 -11.779 3.870 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -9.223 2.314 -6.679 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -10.825 1.613 -6.568 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.814 3.524 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.256 1.621 -10.199 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -9.069 1.203 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.750 0.636 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -12.023 3.273 -9.748 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -12.588 2.347 -8.337 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -12.138 4.059 -8.156 1.00 0.00 H new ATOM 1052 N ASN B 68 -9.298 3.197 -4.065 1.00 0.00 N ATOM 1053 CA ASN B 68 -8.997 2.934 -2.654 1.00 0.00 C ATOM 1054 C ASN B 68 -9.610 1.612 -2.197 1.00 0.00 C ATOM 1055 O ASN B 68 -10.125 1.499 -1.081 1.00 0.00 O ATOM 1056 CB ASN B 68 -9.501 4.089 -1.779 1.00 0.00 C ATOM 1057 CG ASN B 68 -8.771 5.385 -2.067 1.00 0.00 C ATOM 1058 OD1 ASN B 68 -9.132 6.123 -2.983 1.00 0.00 O ATOM 1059 ND2 ASN B 68 -7.753 5.682 -1.277 1.00 0.00 N ATOM 0 H ASN B 68 -8.475 3.296 -4.659 1.00 0.00 H new ATOM 0 HA ASN B 68 -7.915 2.857 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN B 68 -10.569 4.230 -1.946 1.00 0.00 H new ATOM 0 HB3 ASN B 68 -9.375 3.829 -0.728 1.00 0.00 H new ATOM 0 HD21 ASN B 68 -7.236 6.550 -1.416 1.00 0.00 H new ATOM 0 HD22 ASN B 68 -7.485 5.043 -0.528 1.00 0.00 H new ATOM 1066 N SER B 69 -9.554 0.623 -3.078 1.00 0.00 N ATOM 1067 CA SER B 69 -10.086 -0.701 -2.800 1.00 0.00 C ATOM 1068 C SER B 69 -9.618 -1.664 -3.883 1.00 0.00 C ATOM 1069 O SER B 69 -9.665 -1.337 -5.072 1.00 0.00 O ATOM 1070 CB SER B 69 -11.619 -0.660 -2.741 1.00 0.00 C ATOM 1071 OG SER B 69 -12.166 -1.926 -2.404 1.00 0.00 O ATOM 0 H SER B 69 -9.138 0.717 -4.005 1.00 0.00 H new ATOM 0 HA SER B 69 -9.721 -1.043 -1.832 1.00 0.00 H new ATOM 0 HB2 SER B 69 -11.935 0.080 -2.006 1.00 0.00 H new ATOM 0 HB3 SER B 69 -12.012 -0.339 -3.706 1.00 0.00 H new ATOM 0 HG SER B 69 -13.143 -1.862 -2.374 1.00 0.00 H new ATOM 1077 N TYR B 70 -9.139 -2.826 -3.476 1.00 0.00 N ATOM 1078 CA TYR B 70 -8.664 -3.827 -4.417 1.00 0.00 C ATOM 1079 C TYR B 70 -8.959 -5.224 -3.891 1.00 0.00 C ATOM 1080 O TYR B 70 -8.918 -5.466 -2.686 1.00 0.00 O ATOM 1081 CB TYR B 70 -7.160 -3.649 -4.657 1.00 0.00 C ATOM 1082 CG TYR B 70 -6.588 -4.561 -5.722 1.00 0.00 C ATOM 1083 CD1 TYR B 70 -5.771 -5.629 -5.380 1.00 0.00 C ATOM 1084 CD2 TYR B 70 -6.862 -4.349 -7.068 1.00 0.00 C ATOM 1085 CE1 TYR B 70 -5.242 -6.462 -6.347 1.00 0.00 C ATOM 1086 CE2 TYR B 70 -6.339 -5.179 -8.041 1.00 0.00 C ATOM 1087 CZ TYR B 70 -5.529 -6.234 -7.675 1.00 0.00 C ATOM 1088 OH TYR B 70 -5.002 -7.062 -8.641 1.00 0.00 O ATOM 0 H TYR B 70 -9.068 -3.101 -2.496 1.00 0.00 H new ATOM 0 HA TYR B 70 -9.186 -3.698 -5.365 1.00 0.00 H new ATOM 0 HB2 TYR B 70 -6.969 -2.614 -4.940 1.00 0.00 H new ATOM 0 HB3 TYR B 70 -6.631 -3.826 -3.721 1.00 0.00 H new ATOM 0 HD1 TYR B 70 -5.545 -5.812 -4.340 1.00 0.00 H new ATOM 0 HD2 TYR B 70 -7.494 -3.522 -7.358 1.00 0.00 H new ATOM 0 HE1 TYR B 70 -4.607 -7.288 -6.063 1.00 0.00 H new ATOM 0 HE2 TYR B 70 -6.563 -5.003 -9.083 1.00 0.00 H new ATOM 0 HH TYR B 70 -5.302 -6.765 -9.525 1.00 0.00 H new ATOM 1098 N THR B 71 -9.279 -6.134 -4.791 1.00 0.00 N ATOM 1099 CA THR B 71 -9.522 -7.512 -4.419 1.00 0.00 C ATOM 1100 C THR B 71 -8.363 -8.392 -4.879 1.00 0.00 C ATOM 1101 O THR B 71 -8.283 -8.770 -6.048 1.00 0.00 O ATOM 1102 CB THR B 71 -10.843 -8.019 -5.025 1.00 0.00 C ATOM 1103 OG1 THR B 71 -11.913 -7.149 -4.631 1.00 0.00 O ATOM 1104 CG2 THR B 71 -11.147 -9.442 -4.572 1.00 0.00 C ATOM 0 H THR B 71 -9.377 -5.942 -5.788 1.00 0.00 H new ATOM 0 HA THR B 71 -9.601 -7.564 -3.333 1.00 0.00 H new ATOM 0 HB THR B 71 -10.745 -8.022 -6.111 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.755 -7.470 -5.018 1.00 0.00 H new ATOM 0 HG21 THR B 71 -12.086 -9.772 -5.016 1.00 0.00 H new ATOM 0 HG22 THR B 71 -10.342 -10.105 -4.890 1.00 0.00 H new ATOM 0 HG23 THR B 71 -11.231 -9.468 -3.486 1.00 0.00 H new ATOM 1112 N ILE B 72 -7.460 -8.698 -3.957 1.00 0.00 N ATOM 1113 CA ILE B 72 -6.293 -9.511 -4.276 1.00 0.00 C ATOM 1114 C ILE B 72 -6.701 -10.967 -4.430 1.00 0.00 C ATOM 1115 O ILE B 72 -7.280 -11.549 -3.515 1.00 0.00 O ATOM 1116 CB ILE B 72 -5.208 -9.424 -3.184 1.00 0.00 C ATOM 1117 CG1 ILE B 72 -4.898 -7.969 -2.831 1.00 0.00 C ATOM 1118 CG2 ILE B 72 -3.946 -10.135 -3.647 1.00 0.00 C ATOM 1119 CD1 ILE B 72 -3.871 -7.825 -1.728 1.00 0.00 C ATOM 0 H ILE B 72 -7.512 -8.396 -2.984 1.00 0.00 H new ATOM 0 HA ILE B 72 -5.881 -9.123 -5.208 1.00 0.00 H new ATOM 0 HB ILE B 72 -5.585 -9.915 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -4.538 -7.455 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE B 72 -5.819 -7.472 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE B 72 -3.185 -10.069 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE B 72 -4.171 -11.183 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE B 72 -3.576 -9.664 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -3.698 -6.768 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -4.238 -8.310 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -2.937 -8.293 -2.038 1.00 0.00 H new ATOM 1131 N LYS B 73 -6.413 -11.545 -5.584 1.00 0.00 N ATOM 1132 CA LYS B 73 -6.743 -12.938 -5.832 1.00 0.00 C ATOM 1133 C LYS B 73 -5.477 -13.781 -5.860 1.00 0.00 C ATOM 1134 O LYS B 73 -4.410 -13.305 -6.253 1.00 0.00 O ATOM 1135 CB LYS B 73 -7.500 -13.088 -7.153 1.00 0.00 C ATOM 1136 CG LYS B 73 -8.735 -12.211 -7.262 1.00 0.00 C ATOM 1137 CD LYS B 73 -9.536 -12.545 -8.509 1.00 0.00 C ATOM 1138 CE LYS B 73 -10.668 -11.556 -8.734 1.00 0.00 C ATOM 1139 NZ LYS B 73 -10.167 -10.206 -9.113 1.00 0.00 N ATOM 0 H LYS B 73 -5.953 -11.073 -6.362 1.00 0.00 H new ATOM 0 HA LYS B 73 -7.385 -13.287 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -6.825 -12.851 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -7.796 -14.130 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -9.359 -12.345 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -8.439 -11.162 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -8.876 -12.545 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -9.945 -13.551 -8.420 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -11.326 -11.931 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -11.266 -11.478 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -10.957 -9.630 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -9.749 -9.745 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -9.445 -10.300 -9.856 1.00 0.00 H new ATOM 1153 N GLY B 74 -5.598 -15.028 -5.431 1.00 0.00 N ATOM 1154 CA GLY B 74 -4.460 -15.922 -5.415 1.00 0.00 C ATOM 1155 C GLY B 74 -3.800 -15.968 -4.053 1.00 0.00 C ATOM 1156 O GLY B 74 -2.633 -16.343 -3.928 1.00 0.00 O ATOM 0 H GLY B 74 -6.468 -15.438 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY B 74 -4.781 -16.925 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY B 74 -3.733 -15.599 -6.160 1.00 0.00 H new ATOM 1160 N LEU B 75 -4.550 -15.579 -3.033 1.00 0.00 N ATOM 1161 CA LEU B 75 -4.043 -15.573 -1.670 1.00 0.00 C ATOM 1162 C LEU B 75 -4.371 -16.883 -0.972 1.00 0.00 C ATOM 1163 O LEU B 75 -5.527 -17.296 -0.919 1.00 0.00 O ATOM 1164 CB LEU B 75 -4.634 -14.405 -0.882 1.00 0.00 C ATOM 1165 CG LEU B 75 -4.232 -13.011 -1.367 1.00 0.00 C ATOM 1166 CD1 LEU B 75 -4.903 -11.956 -0.515 1.00 0.00 C ATOM 1167 CD2 LEU B 75 -2.721 -12.843 -1.336 1.00 0.00 C ATOM 0 H LEU B 75 -5.515 -15.262 -3.125 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.960 -15.458 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -5.721 -14.482 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.337 -14.507 0.162 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.561 -12.892 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.612 -10.966 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.985 -12.064 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.596 -12.077 0.524 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.459 -11.844 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.361 -12.977 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.259 -13.587 -1.985 1.00 0.00 H new ATOM 1179 N LYS B 76 -3.349 -17.532 -0.447 1.00 0.00 N ATOM 1180 CA LYS B 76 -3.521 -18.798 0.246 1.00 0.00 C ATOM 1181 C LYS B 76 -3.880 -18.556 1.710 1.00 0.00 C ATOM 1182 O LYS B 76 -3.137 -17.896 2.437 1.00 0.00 O ATOM 1183 CB LYS B 76 -2.233 -19.618 0.138 1.00 0.00 C ATOM 1184 CG LYS B 76 -1.806 -19.875 -1.299 1.00 0.00 C ATOM 1185 CD LYS B 76 -0.390 -20.423 -1.384 1.00 0.00 C ATOM 1186 CE LYS B 76 -0.263 -21.773 -0.700 1.00 0.00 C ATOM 1187 NZ LYS B 76 1.108 -22.329 -0.835 1.00 0.00 N ATOM 0 H LYS B 76 -2.385 -17.202 -0.487 1.00 0.00 H new ATOM 0 HA LYS B 76 -4.336 -19.354 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS B 76 -1.432 -19.095 0.660 1.00 0.00 H new ATOM 0 HB3 LYS B 76 -2.374 -20.573 0.645 1.00 0.00 H new ATOM 0 HG2 LYS B 76 -2.496 -20.581 -1.761 1.00 0.00 H new ATOM 0 HG3 LYS B 76 -1.870 -18.947 -1.868 1.00 0.00 H new ATOM 0 HD2 LYS B 76 -0.100 -20.517 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS B 76 0.301 -19.717 -0.924 1.00 0.00 H new ATOM 0 HE2 LYS B 76 -0.512 -21.671 0.356 1.00 0.00 H new ATOM 0 HE3 LYS B 76 -0.982 -22.469 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 1.157 -23.251 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 1.336 -22.449 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 1.792 -21.676 -0.401 1.00 0.00 H new ATOM 1201 N PRO B 77 -5.025 -19.088 2.161 1.00 0.00 N ATOM 1202 CA PRO B 77 -5.505 -18.889 3.531 1.00 0.00 C ATOM 1203 C PRO B 77 -4.635 -19.606 4.558 1.00 0.00 C ATOM 1204 O PRO B 77 -4.231 -20.753 4.354 1.00 0.00 O ATOM 1205 CB PRO B 77 -6.915 -19.486 3.509 1.00 0.00 C ATOM 1206 CG PRO B 77 -6.889 -20.479 2.399 1.00 0.00 C ATOM 1207 CD PRO B 77 -5.946 -19.923 1.369 1.00 0.00 C ATOM 0 HA PRO B 77 -5.481 -17.839 3.822 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -7.159 -19.961 4.459 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -7.668 -18.717 3.335 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -6.550 -21.452 2.754 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -7.885 -20.622 1.980 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -5.416 -20.716 0.841 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -6.474 -19.336 0.617 1.00 0.00 H new ATOM 1215 N GLY B 78 -4.347 -18.924 5.657 1.00 0.00 N ATOM 1216 CA GLY B 78 -3.504 -19.492 6.689 1.00 0.00 C ATOM 1217 C GLY B 78 -2.036 -19.205 6.447 1.00 0.00 C ATOM 1218 O GLY B 78 -1.173 -19.658 7.199 1.00 0.00 O ATOM 0 H GLY B 78 -4.684 -17.982 5.853 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -3.797 -19.089 7.658 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -3.660 -20.570 6.732 1.00 0.00 H new ATOM 1222 N VAL B 79 -1.757 -18.460 5.389 1.00 0.00 N ATOM 1223 CA VAL B 79 -0.394 -18.086 5.049 1.00 0.00 C ATOM 1224 C VAL B 79 -0.161 -16.618 5.384 1.00 0.00 C ATOM 1225 O VAL B 79 -1.035 -15.780 5.167 1.00 0.00 O ATOM 1226 CB VAL B 79 -0.109 -18.341 3.550 1.00 0.00 C ATOM 1227 CG1 VAL B 79 1.289 -17.899 3.164 1.00 0.00 C ATOM 1228 CG2 VAL B 79 -0.291 -19.808 3.216 1.00 0.00 C ATOM 0 H VAL B 79 -2.463 -18.100 4.747 1.00 0.00 H new ATOM 0 HA VAL B 79 0.289 -18.702 5.635 1.00 0.00 H new ATOM 0 HB VAL B 79 -0.824 -17.749 2.978 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.453 -18.094 2.104 1.00 0.00 H new ATOM 0 HG12 VAL B 79 1.400 -16.832 3.358 1.00 0.00 H new ATOM 0 HG13 VAL B 79 2.021 -18.453 3.752 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -0.086 -19.968 2.157 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.398 -20.405 3.813 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -1.316 -20.107 3.437 1.00 0.00 H new ATOM 1238 N VAL B 80 1.005 -16.311 5.929 1.00 0.00 N ATOM 1239 CA VAL B 80 1.318 -14.946 6.318 1.00 0.00 C ATOM 1240 C VAL B 80 1.837 -14.158 5.120 1.00 0.00 C ATOM 1241 O VAL B 80 2.913 -14.441 4.594 1.00 0.00 O ATOM 1242 CB VAL B 80 2.367 -14.901 7.450 1.00 0.00 C ATOM 1243 CG1 VAL B 80 2.509 -13.487 7.991 1.00 0.00 C ATOM 1244 CG2 VAL B 80 2.004 -15.871 8.566 1.00 0.00 C ATOM 0 H VAL B 80 1.748 -16.986 6.111 1.00 0.00 H new ATOM 0 HA VAL B 80 0.396 -14.495 6.685 1.00 0.00 H new ATOM 0 HB VAL B 80 3.327 -15.208 7.036 1.00 0.00 H new ATOM 0 HG11 VAL B 80 3.253 -13.475 8.788 1.00 0.00 H new ATOM 0 HG12 VAL B 80 2.826 -12.821 7.189 1.00 0.00 H new ATOM 0 HG13 VAL B 80 1.550 -13.150 8.385 1.00 0.00 H new ATOM 0 HG21 VAL B 80 2.758 -15.821 9.351 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.032 -15.603 8.979 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.962 -16.885 8.168 1.00 0.00 H new ATOM 1254 N TYR B 81 1.060 -13.185 4.679 1.00 0.00 N ATOM 1255 CA TYR B 81 1.460 -12.340 3.565 1.00 0.00 C ATOM 1256 C TYR B 81 1.935 -10.980 4.055 1.00 0.00 C ATOM 1257 O TYR B 81 1.414 -10.442 5.033 1.00 0.00 O ATOM 1258 CB TYR B 81 0.298 -12.146 2.588 1.00 0.00 C ATOM 1259 CG TYR B 81 0.023 -13.334 1.696 1.00 0.00 C ATOM 1260 CD1 TYR B 81 0.549 -13.391 0.412 1.00 0.00 C ATOM 1261 CD2 TYR B 81 -0.771 -14.389 2.127 1.00 0.00 C ATOM 1262 CE1 TYR B 81 0.292 -14.465 -0.417 1.00 0.00 C ATOM 1263 CE2 TYR B 81 -1.030 -15.468 1.304 1.00 0.00 C ATOM 1264 CZ TYR B 81 -0.496 -15.501 0.033 1.00 0.00 C ATOM 1265 OH TYR B 81 -0.756 -16.571 -0.793 1.00 0.00 O ATOM 0 H TYR B 81 0.147 -12.959 5.075 1.00 0.00 H new ATOM 0 HA TYR B 81 2.282 -12.840 3.053 1.00 0.00 H new ATOM 0 HB2 TYR B 81 -0.604 -11.918 3.157 1.00 0.00 H new ATOM 0 HB3 TYR B 81 0.507 -11.279 1.962 1.00 0.00 H new ATOM 0 HD1 TYR B 81 1.169 -12.582 0.056 1.00 0.00 H new ATOM 0 HD2 TYR B 81 -1.193 -14.365 3.121 1.00 0.00 H new ATOM 0 HE1 TYR B 81 0.707 -14.492 -1.414 1.00 0.00 H new ATOM 0 HE2 TYR B 81 -1.648 -16.282 1.654 1.00 0.00 H new ATOM 0 HH TYR B 81 -0.421 -17.393 -0.378 1.00 0.00 H new ATOM 1275 N GLU B 82 2.924 -10.431 3.364 1.00 0.00 N ATOM 1276 CA GLU B 82 3.385 -9.077 3.619 1.00 0.00 C ATOM 1277 C GLU B 82 2.824 -8.163 2.539 1.00 0.00 C ATOM 1278 O GLU B 82 2.878 -8.499 1.360 1.00 0.00 O ATOM 1279 CB GLU B 82 4.916 -9.012 3.590 1.00 0.00 C ATOM 1280 CG GLU B 82 5.595 -10.053 4.462 1.00 0.00 C ATOM 1281 CD GLU B 82 7.109 -9.974 4.402 1.00 0.00 C ATOM 1282 OE1 GLU B 82 7.705 -10.503 3.441 1.00 0.00 O ATOM 1283 OE2 GLU B 82 7.717 -9.404 5.336 1.00 0.00 O ATOM 0 H GLU B 82 3.426 -10.909 2.616 1.00 0.00 H new ATOM 0 HA GLU B 82 3.044 -8.762 4.605 1.00 0.00 H new ATOM 0 HB2 GLU B 82 5.255 -9.137 2.562 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.233 -8.020 3.912 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.270 -9.924 5.494 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.275 -11.047 4.149 1.00 0.00 H new ATOM 1290 N GLY B 83 2.272 -7.028 2.936 1.00 0.00 N ATOM 1291 CA GLY B 83 1.670 -6.134 1.972 1.00 0.00 C ATOM 1292 C GLY B 83 2.137 -4.705 2.130 1.00 0.00 C ATOM 1293 O GLY B 83 2.390 -4.243 3.242 1.00 0.00 O ATOM 0 H GLY B 83 2.230 -6.711 3.905 1.00 0.00 H new ATOM 0 HA2 GLY B 83 1.906 -6.480 0.965 1.00 0.00 H new ATOM 0 HA3 GLY B 83 0.586 -6.171 2.076 1.00 0.00 H new ATOM 1297 N GLN B 84 2.266 -4.013 1.011 1.00 0.00 N ATOM 1298 CA GLN B 84 2.657 -2.615 1.009 1.00 0.00 C ATOM 1299 C GLN B 84 1.741 -1.816 0.094 1.00 0.00 C ATOM 1300 O GLN B 84 1.566 -2.167 -1.076 1.00 0.00 O ATOM 1301 CB GLN B 84 4.101 -2.454 0.526 1.00 0.00 C ATOM 1302 CG GLN B 84 5.114 -3.298 1.278 1.00 0.00 C ATOM 1303 CD GLN B 84 6.533 -3.019 0.826 1.00 0.00 C ATOM 1304 OE1 GLN B 84 7.215 -2.152 1.372 1.00 0.00 O ATOM 1305 NE2 GLN B 84 6.982 -3.751 -0.178 1.00 0.00 N ATOM 0 H GLN B 84 2.103 -4.403 0.083 1.00 0.00 H new ATOM 0 HA GLN B 84 2.577 -2.244 2.031 1.00 0.00 H new ATOM 0 HB2 GLN B 84 4.147 -2.710 -0.532 1.00 0.00 H new ATOM 0 HB3 GLN B 84 4.385 -1.405 0.613 1.00 0.00 H new ATOM 0 HG2 GLN B 84 5.028 -3.100 2.347 1.00 0.00 H new ATOM 0 HG3 GLN B 84 4.887 -4.354 1.130 1.00 0.00 H new ATOM 0 HE21 GLN B 84 6.382 -4.459 -0.601 1.00 0.00 H new ATOM 0 HE22 GLN B 84 7.929 -3.608 -0.530 1.00 0.00 H new ATOM 1314 N LEU B 85 1.147 -0.762 0.627 1.00 0.00 N ATOM 1315 CA LEU B 85 0.370 0.158 -0.188 1.00 0.00 C ATOM 1316 C LEU B 85 1.244 1.349 -0.539 1.00 0.00 C ATOM 1317 O LEU B 85 1.610 2.140 0.330 1.00 0.00 O ATOM 1318 CB LEU B 85 -0.904 0.608 0.550 1.00 0.00 C ATOM 1319 CG LEU B 85 -1.947 1.372 -0.293 1.00 0.00 C ATOM 1320 CD1 LEU B 85 -1.514 2.807 -0.563 1.00 0.00 C ATOM 1321 CD2 LEU B 85 -2.205 0.650 -1.609 1.00 0.00 C ATOM 0 H LEU B 85 1.187 -0.522 1.618 1.00 0.00 H new ATOM 0 HA LEU B 85 0.051 -0.344 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -1.385 -0.274 0.972 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -0.609 1.242 1.387 1.00 0.00 H new ATOM 0 HG LEU B 85 -2.870 1.403 0.285 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.275 3.311 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -1.387 3.333 0.383 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -0.569 2.806 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.943 1.204 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -1.276 0.581 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -2.581 -0.353 -1.406 1.00 0.00 H new ATOM 1333 N ILE B 86 1.596 1.452 -1.806 1.00 0.00 N ATOM 1334 CA ILE B 86 2.467 2.513 -2.274 1.00 0.00 C ATOM 1335 C ILE B 86 1.678 3.523 -3.093 1.00 0.00 C ATOM 1336 O ILE B 86 1.290 3.251 -4.228 1.00 0.00 O ATOM 1337 CB ILE B 86 3.606 1.936 -3.136 1.00 0.00 C ATOM 1338 CG1 ILE B 86 4.235 0.734 -2.429 1.00 0.00 C ATOM 1339 CG2 ILE B 86 4.655 3.005 -3.413 1.00 0.00 C ATOM 1340 CD1 ILE B 86 5.040 -0.154 -3.345 1.00 0.00 C ATOM 0 H ILE B 86 1.289 0.808 -2.535 1.00 0.00 H new ATOM 0 HA ILE B 86 2.894 3.010 -1.403 1.00 0.00 H new ATOM 0 HB ILE B 86 3.196 1.606 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.879 1.092 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE B 86 3.446 0.142 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.453 2.582 -4.023 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.194 3.838 -3.945 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.069 3.361 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE B 86 5.455 -0.985 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE B 86 4.396 -0.542 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE B 86 5.851 0.422 -3.790 1.00 0.00 H new ATOM 1352 N SER B 87 1.427 4.680 -2.512 1.00 0.00 N ATOM 1353 CA SER B 87 0.685 5.722 -3.194 1.00 0.00 C ATOM 1354 C SER B 87 1.630 6.668 -3.921 1.00 0.00 C ATOM 1355 O SER B 87 2.466 7.323 -3.296 1.00 0.00 O ATOM 1356 CB SER B 87 -0.175 6.492 -2.190 1.00 0.00 C ATOM 1357 OG SER B 87 0.595 6.926 -1.085 1.00 0.00 O ATOM 0 H SER B 87 1.727 4.922 -1.568 1.00 0.00 H new ATOM 0 HA SER B 87 0.034 5.258 -3.935 1.00 0.00 H new ATOM 0 HB2 SER B 87 -0.629 7.353 -2.681 1.00 0.00 H new ATOM 0 HB3 SER B 87 -0.990 5.857 -1.842 1.00 0.00 H new ATOM 0 HG SER B 87 0.413 7.873 -0.911 1.00 0.00 H new ATOM 1363 N ILE B 88 1.507 6.723 -5.240 1.00 0.00 N ATOM 1364 CA ILE B 88 2.327 7.617 -6.044 1.00 0.00 C ATOM 1365 C ILE B 88 1.570 8.910 -6.307 1.00 0.00 C ATOM 1366 O ILE B 88 0.607 8.928 -7.079 1.00 0.00 O ATOM 1367 CB ILE B 88 2.714 6.992 -7.401 1.00 0.00 C ATOM 1368 CG1 ILE B 88 3.144 5.531 -7.227 1.00 0.00 C ATOM 1369 CG2 ILE B 88 3.826 7.803 -8.057 1.00 0.00 C ATOM 1370 CD1 ILE B 88 4.358 5.338 -6.347 1.00 0.00 C ATOM 0 H ILE B 88 0.847 6.159 -5.776 1.00 0.00 H new ATOM 0 HA ILE B 88 3.240 7.808 -5.481 1.00 0.00 H new ATOM 0 HB ILE B 88 1.838 7.011 -8.050 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.311 4.968 -6.805 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.351 5.106 -8.209 1.00 0.00 H new ATOM 0 HG21 ILE B 88 4.090 7.352 -9.013 1.00 0.00 H new ATOM 0 HG22 ILE B 88 3.483 8.825 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.701 7.813 -7.407 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.592 4.276 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.207 5.870 -6.776 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.151 5.729 -5.351 1.00 0.00 H new ATOM 1382 N GLN B 89 1.987 9.979 -5.654 1.00 0.00 N ATOM 1383 CA GLN B 89 1.347 11.271 -5.834 1.00 0.00 C ATOM 1384 C GLN B 89 1.937 11.988 -7.037 1.00 0.00 C ATOM 1385 O GLN B 89 3.059 11.699 -7.458 1.00 0.00 O ATOM 1386 CB GLN B 89 1.506 12.131 -4.582 1.00 0.00 C ATOM 1387 CG GLN B 89 1.011 11.459 -3.314 1.00 0.00 C ATOM 1388 CD GLN B 89 0.745 12.451 -2.203 1.00 0.00 C ATOM 1389 OE1 GLN B 89 0.371 13.592 -2.462 1.00 0.00 O ATOM 1390 NE2 GLN B 89 0.955 12.036 -0.966 1.00 0.00 N ATOM 0 H GLN B 89 2.765 9.979 -4.995 1.00 0.00 H new ATOM 0 HA GLN B 89 0.284 11.105 -6.007 1.00 0.00 H new ATOM 0 HB2 GLN B 89 2.558 12.388 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN B 89 0.964 13.066 -4.723 1.00 0.00 H new ATOM 0 HG2 GLN B 89 0.097 10.907 -3.531 1.00 0.00 H new ATOM 0 HG3 GLN B 89 1.750 10.732 -2.979 1.00 0.00 H new ATOM 0 HE21 GLN B 89 1.265 11.080 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN B 89 0.807 12.672 -0.183 1.00 0.00 H new ATOM 1399 N GLN B 90 1.174 12.936 -7.572 1.00 0.00 N ATOM 1400 CA GLN B 90 1.545 13.656 -8.789 1.00 0.00 C ATOM 1401 C GLN B 90 2.762 14.559 -8.576 1.00 0.00 C ATOM 1402 O GLN B 90 3.232 15.209 -9.511 1.00 0.00 O ATOM 1403 CB GLN B 90 0.367 14.493 -9.285 1.00 0.00 C ATOM 1404 CG GLN B 90 -0.090 15.549 -8.292 1.00 0.00 C ATOM 1405 CD GLN B 90 -1.176 16.440 -8.852 1.00 0.00 C ATOM 1406 OE1 GLN B 90 -1.249 16.668 -10.058 1.00 0.00 O ATOM 1407 NE2 GLN B 90 -2.020 16.964 -7.981 1.00 0.00 N ATOM 0 H GLN B 90 0.281 13.228 -7.175 1.00 0.00 H new ATOM 0 HA GLN B 90 1.811 12.909 -9.537 1.00 0.00 H new ATOM 0 HB2 GLN B 90 0.646 14.981 -10.219 1.00 0.00 H new ATOM 0 HB3 GLN B 90 -0.469 13.831 -9.509 1.00 0.00 H new ATOM 0 HG2 GLN B 90 -0.456 15.060 -7.389 1.00 0.00 H new ATOM 0 HG3 GLN B 90 0.763 16.161 -8.000 1.00 0.00 H new ATOM 0 HE21 GLN B 90 -1.926 16.750 -6.988 1.00 0.00 H new ATOM 0 HE22 GLN B 90 -2.765 17.582 -8.302 1.00 0.00 H new ATOM 1416 N TYR B 91 3.245 14.622 -7.342 1.00 0.00 N ATOM 1417 CA TYR B 91 4.431 15.400 -7.024 1.00 0.00 C ATOM 1418 C TYR B 91 5.632 14.486 -6.798 1.00 0.00 C ATOM 1419 O TYR B 91 6.629 14.886 -6.199 1.00 0.00 O ATOM 1420 CB TYR B 91 4.184 16.264 -5.788 1.00 0.00 C ATOM 1421 CG TYR B 91 3.145 17.340 -6.005 1.00 0.00 C ATOM 1422 CD1 TYR B 91 3.473 18.514 -6.664 1.00 0.00 C ATOM 1423 CD2 TYR B 91 1.840 17.183 -5.554 1.00 0.00 C ATOM 1424 CE1 TYR B 91 2.535 19.504 -6.868 1.00 0.00 C ATOM 1425 CE2 TYR B 91 0.893 18.170 -5.756 1.00 0.00 C ATOM 1426 CZ TYR B 91 1.246 19.329 -6.415 1.00 0.00 C ATOM 1427 OH TYR B 91 0.309 20.319 -6.620 1.00 0.00 O ATOM 0 H TYR B 91 2.831 14.141 -6.544 1.00 0.00 H new ATOM 0 HA TYR B 91 4.649 16.052 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR B 91 3.867 15.624 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR B 91 5.122 16.731 -5.487 1.00 0.00 H new ATOM 0 HD1 TYR B 91 4.481 18.656 -7.024 1.00 0.00 H new ATOM 0 HD2 TYR B 91 1.561 16.276 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR B 91 2.810 20.414 -7.381 1.00 0.00 H new ATOM 0 HE2 TYR B 91 -0.117 18.034 -5.400 1.00 0.00 H new ATOM 0 HH TYR B 91 -0.551 20.039 -6.241 1.00 0.00 H new ATOM 1437 N GLY B 92 5.516 13.246 -7.265 1.00 0.00 N ATOM 1438 CA GLY B 92 6.613 12.301 -7.169 1.00 0.00 C ATOM 1439 C GLY B 92 6.791 11.741 -5.771 1.00 0.00 C ATOM 1440 O GLY B 92 7.802 11.104 -5.472 1.00 0.00 O ATOM 0 H GLY B 92 4.676 12.878 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY B 92 6.440 11.480 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY B 92 7.536 12.791 -7.478 1.00 0.00 H new ATOM 1444 N HIS B 93 5.814 11.979 -4.912 1.00 0.00 N ATOM 1445 CA HIS B 93 5.849 11.445 -3.560 1.00 0.00 C ATOM 1446 C HIS B 93 5.345 10.019 -3.555 1.00 0.00 C ATOM 1447 O HIS B 93 4.257 9.739 -4.058 1.00 0.00 O ATOM 1448 CB HIS B 93 4.999 12.289 -2.606 1.00 0.00 C ATOM 1449 CG HIS B 93 5.677 13.530 -2.118 1.00 0.00 C ATOM 1450 ND1 HIS B 93 5.539 13.996 -0.830 1.00 0.00 N ATOM 1451 CD2 HIS B 93 6.486 14.411 -2.751 1.00 0.00 C ATOM 1452 CE1 HIS B 93 6.233 15.107 -0.689 1.00 0.00 C ATOM 1453 NE2 HIS B 93 6.818 15.381 -1.839 1.00 0.00 N ATOM 0 H HIS B 93 4.988 12.538 -5.126 1.00 0.00 H new ATOM 0 HA HIS B 93 6.883 11.473 -3.216 1.00 0.00 H new ATOM 0 HB2 HIS B 93 4.074 12.568 -3.111 1.00 0.00 H new ATOM 0 HB3 HIS B 93 4.721 11.678 -1.747 1.00 0.00 H new ATOM 0 HD2 HIS B 93 6.809 14.360 -3.780 1.00 0.00 H new ATOM 0 HE1 HIS B 93 6.310 15.694 0.215 1.00 0.00 H new ATOM 0 HE2 HIS B 93 7.420 16.184 -2.021 1.00 0.00 H new ATOM 1462 N GLN B 94 6.147 9.115 -3.024 1.00 0.00 N ATOM 1463 CA GLN B 94 5.718 7.745 -2.857 1.00 0.00 C ATOM 1464 C GLN B 94 5.575 7.440 -1.379 1.00 0.00 C ATOM 1465 O GLN B 94 6.551 7.495 -0.629 1.00 0.00 O ATOM 1466 CB GLN B 94 6.724 6.779 -3.485 1.00 0.00 C ATOM 1467 CG GLN B 94 7.062 7.092 -4.932 1.00 0.00 C ATOM 1468 CD GLN B 94 7.915 6.013 -5.568 1.00 0.00 C ATOM 1469 OE1 GLN B 94 8.686 5.333 -4.890 1.00 0.00 O ATOM 1470 NE2 GLN B 94 7.792 5.855 -6.875 1.00 0.00 N ATOM 0 H GLN B 94 7.096 9.307 -2.703 1.00 0.00 H new ATOM 0 HA GLN B 94 4.758 7.617 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN B 94 7.642 6.794 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN B 94 6.325 5.766 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN B 94 6.140 7.207 -5.502 1.00 0.00 H new ATOM 0 HG3 GLN B 94 7.588 8.045 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN B 94 7.141 6.439 -7.400 1.00 0.00 H new ATOM 0 HE22 GLN B 94 8.348 5.149 -7.358 1.00 0.00 H new ATOM 1479 N GLU B 95 4.369 7.104 -0.972 1.00 0.00 N ATOM 1480 CA GLU B 95 4.099 6.756 0.411 1.00 0.00 C ATOM 1481 C GLU B 95 3.833 5.268 0.521 1.00 0.00 C ATOM 1482 O GLU B 95 2.914 4.748 -0.108 1.00 0.00 O ATOM 1483 CB GLU B 95 2.906 7.553 0.951 1.00 0.00 C ATOM 1484 CG GLU B 95 3.272 8.904 1.552 1.00 0.00 C ATOM 1485 CD GLU B 95 4.061 9.794 0.617 1.00 0.00 C ATOM 1486 OE1 GLU B 95 5.293 9.906 0.806 1.00 0.00 O ATOM 1487 OE2 GLU B 95 3.455 10.403 -0.289 1.00 0.00 O ATOM 0 H GLU B 95 3.553 7.064 -1.583 1.00 0.00 H new ATOM 0 HA GLU B 95 4.973 7.009 1.012 1.00 0.00 H new ATOM 0 HB2 GLU B 95 2.193 7.710 0.141 1.00 0.00 H new ATOM 0 HB3 GLU B 95 2.400 6.957 1.710 1.00 0.00 H new ATOM 0 HG2 GLU B 95 2.358 9.420 1.845 1.00 0.00 H new ATOM 0 HG3 GLU B 95 3.852 8.742 2.460 1.00 0.00 H new ATOM 1494 N VAL B 96 4.654 4.586 1.302 1.00 0.00 N ATOM 1495 CA VAL B 96 4.552 3.146 1.436 1.00 0.00 C ATOM 1496 C VAL B 96 4.047 2.770 2.821 1.00 0.00 C ATOM 1497 O VAL B 96 4.769 2.890 3.812 1.00 0.00 O ATOM 1498 CB VAL B 96 5.915 2.464 1.190 1.00 0.00 C ATOM 1499 CG1 VAL B 96 5.777 0.948 1.218 1.00 0.00 C ATOM 1500 CG2 VAL B 96 6.518 2.927 -0.129 1.00 0.00 C ATOM 0 H VAL B 96 5.400 5.010 1.854 1.00 0.00 H new ATOM 0 HA VAL B 96 3.843 2.799 0.684 1.00 0.00 H new ATOM 0 HB VAL B 96 6.590 2.756 1.995 1.00 0.00 H new ATOM 0 HG11 VAL B 96 6.751 0.491 1.042 1.00 0.00 H new ATOM 0 HG12 VAL B 96 5.400 0.635 2.191 1.00 0.00 H new ATOM 0 HG13 VAL B 96 5.082 0.632 0.440 1.00 0.00 H new ATOM 0 HG21 VAL B 96 7.478 2.434 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL B 96 5.844 2.672 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL B 96 6.664 4.007 -0.103 1.00 0.00 H new ATOM 1510 N THR B 97 2.804 2.328 2.887 1.00 0.00 N ATOM 1511 CA THR B 97 2.231 1.861 4.133 1.00 0.00 C ATOM 1512 C THR B 97 2.289 0.337 4.188 1.00 0.00 C ATOM 1513 O THR B 97 1.631 -0.351 3.402 1.00 0.00 O ATOM 1514 CB THR B 97 0.775 2.342 4.289 1.00 0.00 C ATOM 1515 OG1 THR B 97 0.701 3.752 4.029 1.00 0.00 O ATOM 1516 CG2 THR B 97 0.261 2.061 5.693 1.00 0.00 C ATOM 0 H THR B 97 2.171 2.283 2.088 1.00 0.00 H new ATOM 0 HA THR B 97 2.813 2.276 4.956 1.00 0.00 H new ATOM 0 HB THR B 97 0.155 1.800 3.574 1.00 0.00 H new ATOM 0 HG1 THR B 97 -0.105 4.120 4.447 1.00 0.00 H new ATOM 0 HG21 THR B 97 -0.768 2.409 5.780 1.00 0.00 H new ATOM 0 HG22 THR B 97 0.299 0.989 5.887 1.00 0.00 H new ATOM 0 HG23 THR B 97 0.883 2.584 6.420 1.00 0.00 H new ATOM 1524 N ARG B 98 3.095 -0.182 5.101 1.00 0.00 N ATOM 1525 CA ARG B 98 3.334 -1.615 5.185 1.00 0.00 C ATOM 1526 C ARG B 98 2.393 -2.279 6.181 1.00 0.00 C ATOM 1527 O ARG B 98 2.164 -1.771 7.278 1.00 0.00 O ATOM 1528 CB ARG B 98 4.789 -1.884 5.564 1.00 0.00 C ATOM 1529 CG ARG B 98 5.774 -1.361 4.534 1.00 0.00 C ATOM 1530 CD ARG B 98 7.210 -1.688 4.898 1.00 0.00 C ATOM 1531 NE ARG B 98 8.128 -1.334 3.816 1.00 0.00 N ATOM 1532 CZ ARG B 98 9.334 -0.805 3.998 1.00 0.00 C ATOM 1533 NH1 ARG B 98 9.788 -0.572 5.224 1.00 0.00 N ATOM 1534 NH2 ARG B 98 10.088 -0.504 2.949 1.00 0.00 N ATOM 0 H ARG B 98 3.597 0.370 5.797 1.00 0.00 H new ATOM 0 HA ARG B 98 3.136 -2.048 4.204 1.00 0.00 H new ATOM 0 HB2 ARG B 98 4.999 -1.421 6.528 1.00 0.00 H new ATOM 0 HB3 ARG B 98 4.935 -2.957 5.687 1.00 0.00 H new ATOM 0 HG2 ARG B 98 5.541 -1.791 3.560 1.00 0.00 H new ATOM 0 HG3 ARG B 98 5.661 -0.281 4.441 1.00 0.00 H new ATOM 0 HD2 ARG B 98 7.489 -1.150 5.804 1.00 0.00 H new ATOM 0 HD3 ARG B 98 7.298 -2.752 5.119 1.00 0.00 H new ATOM 0 HE ARG B 98 7.823 -1.504 2.858 1.00 0.00 H new ATOM 0 HH11 ARG B 98 9.210 -0.799 6.033 1.00 0.00 H new ATOM 0 HH12 ARG B 98 10.714 -0.166 5.356 1.00 0.00 H new ATOM 0 HH21 ARG B 98 9.742 -0.678 2.005 1.00 0.00 H new ATOM 0 HH22 ARG B 98 11.014 -0.098 3.086 1.00 0.00 H new ATOM 1548 N PHE B 99 1.854 -3.421 5.783 1.00 0.00 N ATOM 1549 CA PHE B 99 0.913 -4.169 6.600 1.00 0.00 C ATOM 1550 C PHE B 99 1.030 -5.659 6.298 1.00 0.00 C ATOM 1551 O PHE B 99 1.857 -6.073 5.486 1.00 0.00 O ATOM 1552 CB PHE B 99 -0.523 -3.678 6.345 1.00 0.00 C ATOM 1553 CG PHE B 99 -0.965 -3.774 4.906 1.00 0.00 C ATOM 1554 CD1 PHE B 99 -1.739 -4.838 4.472 1.00 0.00 C ATOM 1555 CD2 PHE B 99 -0.607 -2.795 3.990 1.00 0.00 C ATOM 1556 CE1 PHE B 99 -2.145 -4.926 3.154 1.00 0.00 C ATOM 1557 CE2 PHE B 99 -1.010 -2.879 2.671 1.00 0.00 C ATOM 1558 CZ PHE B 99 -1.779 -3.945 2.253 1.00 0.00 C ATOM 0 H PHE B 99 2.058 -3.855 4.883 1.00 0.00 H new ATOM 0 HA PHE B 99 1.150 -4.006 7.651 1.00 0.00 H new ATOM 0 HB2 PHE B 99 -1.208 -4.258 6.963 1.00 0.00 H new ATOM 0 HB3 PHE B 99 -0.603 -2.640 6.669 1.00 0.00 H new ATOM 0 HD1 PHE B 99 -2.028 -5.608 5.172 1.00 0.00 H new ATOM 0 HD2 PHE B 99 -0.006 -1.957 4.312 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -2.748 -5.761 2.829 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -0.723 -2.111 1.968 1.00 0.00 H new ATOM 0 HZ PHE B 99 -2.095 -4.013 1.222 1.00 0.00 H new ATOM 1568 N ASP B 100 0.216 -6.458 6.964 1.00 0.00 N ATOM 1569 CA ASP B 100 0.184 -7.897 6.738 1.00 0.00 C ATOM 1570 C ASP B 100 -1.255 -8.374 6.786 1.00 0.00 C ATOM 1571 O ASP B 100 -2.113 -7.691 7.346 1.00 0.00 O ATOM 1572 CB ASP B 100 1.032 -8.647 7.775 1.00 0.00 C ATOM 1573 CG ASP B 100 0.564 -8.429 9.201 1.00 0.00 C ATOM 1574 OD1 ASP B 100 -0.326 -9.167 9.666 1.00 0.00 O ATOM 1575 OD2 ASP B 100 1.095 -7.520 9.874 1.00 0.00 O ATOM 0 H ASP B 100 -0.440 -6.133 7.674 1.00 0.00 H new ATOM 0 HA ASP B 100 0.610 -8.107 5.757 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.009 -9.713 7.551 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.070 -8.326 7.687 1.00 0.00 H new ATOM 1580 N PHE B 101 -1.529 -9.525 6.196 1.00 0.00 N ATOM 1581 CA PHE B 101 -2.899 -10.008 6.111 1.00 0.00 C ATOM 1582 C PHE B 101 -2.958 -11.520 5.951 1.00 0.00 C ATOM 1583 O PHE B 101 -1.921 -12.182 5.841 1.00 0.00 O ATOM 1584 CB PHE B 101 -3.645 -9.314 4.963 1.00 0.00 C ATOM 1585 CG PHE B 101 -2.945 -9.376 3.631 1.00 0.00 C ATOM 1586 CD1 PHE B 101 -3.197 -10.409 2.748 1.00 0.00 C ATOM 1587 CD2 PHE B 101 -2.048 -8.387 3.260 1.00 0.00 C ATOM 1588 CE1 PHE B 101 -2.565 -10.460 1.521 1.00 0.00 C ATOM 1589 CE2 PHE B 101 -1.411 -8.434 2.035 1.00 0.00 C ATOM 1590 CZ PHE B 101 -1.672 -9.471 1.164 1.00 0.00 C ATOM 0 H PHE B 101 -0.831 -10.137 5.773 1.00 0.00 H new ATOM 0 HA PHE B 101 -3.392 -9.760 7.051 1.00 0.00 H new ATOM 0 HB2 PHE B 101 -4.631 -9.767 4.862 1.00 0.00 H new ATOM 0 HB3 PHE B 101 -3.801 -8.268 5.228 1.00 0.00 H new ATOM 0 HD1 PHE B 101 -3.896 -11.185 3.021 1.00 0.00 H new ATOM 0 HD2 PHE B 101 -1.845 -7.570 3.936 1.00 0.00 H new ATOM 0 HE1 PHE B 101 -2.770 -11.274 0.841 1.00 0.00 H new ATOM 0 HE2 PHE B 101 -0.710 -7.660 1.760 1.00 0.00 H new ATOM 0 HZ PHE B 101 -1.178 -9.509 0.204 1.00 0.00 H new ATOM 1600 N THR B 102 -4.184 -12.048 5.981 1.00 0.00 N ATOM 1601 CA THR B 102 -4.454 -13.480 5.856 1.00 0.00 C ATOM 1602 C THR B 102 -4.091 -14.229 7.145 1.00 0.00 C ATOM 1603 O THR B 102 -4.798 -15.150 7.562 1.00 0.00 O ATOM 1604 CB THR B 102 -3.720 -14.099 4.646 1.00 0.00 C ATOM 1605 OG1 THR B 102 -4.025 -13.352 3.459 1.00 0.00 O ATOM 1606 CG2 THR B 102 -4.135 -15.548 4.440 1.00 0.00 C ATOM 0 H THR B 102 -5.027 -11.485 6.094 1.00 0.00 H new ATOM 0 HA THR B 102 -5.525 -13.588 5.686 1.00 0.00 H new ATOM 0 HB THR B 102 -2.649 -14.064 4.846 1.00 0.00 H new ATOM 0 HG1 THR B 102 -3.556 -13.747 2.694 1.00 0.00 H new ATOM 0 HG21 THR B 102 -3.604 -15.960 3.582 1.00 0.00 H new ATOM 0 HG22 THR B 102 -3.890 -16.127 5.331 1.00 0.00 H new ATOM 0 HG23 THR B 102 -5.209 -15.597 4.260 1.00 0.00 H new ATOM 1614 N THR B 103 -3.003 -13.814 7.781 1.00 0.00 N ATOM 1615 CA THR B 103 -2.570 -14.404 9.036 1.00 0.00 C ATOM 1616 C THR B 103 -3.487 -13.978 10.185 1.00 0.00 C ATOM 1617 O THR B 103 -3.604 -14.676 11.193 1.00 0.00 O ATOM 1618 CB THR B 103 -1.108 -14.013 9.356 1.00 0.00 C ATOM 1619 OG1 THR B 103 -0.678 -14.629 10.579 1.00 0.00 O ATOM 1620 CG2 THR B 103 -0.952 -12.503 9.460 1.00 0.00 C ATOM 0 H THR B 103 -2.401 -13.064 7.442 1.00 0.00 H new ATOM 0 HA THR B 103 -2.625 -15.487 8.928 1.00 0.00 H new ATOM 0 HB THR B 103 -0.484 -14.370 8.536 1.00 0.00 H new ATOM 0 HG1 THR B 103 0.249 -14.373 10.766 1.00 0.00 H new ATOM 0 HG21 THR B 103 0.086 -12.259 9.686 1.00 0.00 H new ATOM 0 HG22 THR B 103 -1.236 -12.042 8.514 1.00 0.00 H new ATOM 0 HG23 THR B 103 -1.595 -12.125 10.255 1.00 0.00 H new ATOM 1628 N THR B 104 -4.141 -12.835 10.024 1.00 0.00 N ATOM 1629 CA THR B 104 -5.057 -12.334 11.033 1.00 0.00 C ATOM 1630 C THR B 104 -6.397 -13.060 10.936 1.00 0.00 C ATOM 1631 O THR B 104 -7.344 -12.574 10.314 1.00 0.00 O ATOM 1632 CB THR B 104 -5.267 -10.817 10.881 1.00 0.00 C ATOM 1633 OG1 THR B 104 -3.993 -10.165 10.781 1.00 0.00 O ATOM 1634 CG2 THR B 104 -6.037 -10.247 12.066 1.00 0.00 C ATOM 0 H THR B 104 -4.052 -12.238 9.202 1.00 0.00 H new ATOM 0 HA THR B 104 -4.619 -12.523 12.013 1.00 0.00 H new ATOM 0 HB THR B 104 -5.849 -10.641 9.976 1.00 0.00 H new ATOM 0 HG1 THR B 104 -4.127 -9.199 10.682 1.00 0.00 H new ATOM 0 HG21 THR B 104 -6.170 -9.174 11.931 1.00 0.00 H new ATOM 0 HG22 THR B 104 -7.013 -10.728 12.131 1.00 0.00 H new ATOM 0 HG23 THR B 104 -5.480 -10.431 12.984 1.00 0.00 H new ATOM 1642 N SER B 105 -6.460 -14.236 11.539 1.00 0.00 N ATOM 1643 CA SER B 105 -7.657 -15.055 11.493 1.00 0.00 C ATOM 1644 C SER B 105 -7.707 -15.978 12.710 1.00 0.00 C ATOM 1645 O SER B 105 -7.835 -17.193 12.583 1.00 0.00 O ATOM 1646 CB SER B 105 -7.683 -15.868 10.191 1.00 0.00 C ATOM 1647 OG SER B 105 -8.956 -16.456 9.969 1.00 0.00 O ATOM 0 H SER B 105 -5.690 -14.645 12.069 1.00 0.00 H new ATOM 0 HA SER B 105 -8.535 -14.410 11.516 1.00 0.00 H new ATOM 0 HB2 SER B 105 -7.429 -15.221 9.352 1.00 0.00 H new ATOM 0 HB3 SER B 105 -6.923 -16.648 10.233 1.00 0.00 H new ATOM 0 HG SER B 105 -9.177 -17.049 10.717 1.00 0.00 H new ATOM 1653 N THR B 106 -7.600 -15.391 13.892 1.00 0.00 N ATOM 1654 CA THR B 106 -7.659 -16.153 15.133 1.00 0.00 C ATOM 1655 C THR B 106 -9.095 -16.266 15.636 1.00 0.00 C ATOM 1656 O THR B 106 -9.345 -16.320 16.842 1.00 0.00 O ATOM 1657 CB THR B 106 -6.783 -15.503 16.220 1.00 0.00 C ATOM 1658 OG1 THR B 106 -7.065 -14.098 16.298 1.00 0.00 O ATOM 1659 CG2 THR B 106 -5.305 -15.718 15.926 1.00 0.00 C ATOM 0 H THR B 106 -7.472 -14.387 14.020 1.00 0.00 H new ATOM 0 HA THR B 106 -7.278 -17.152 14.922 1.00 0.00 H new ATOM 0 HB THR B 106 -7.016 -15.973 17.175 1.00 0.00 H new ATOM 0 HG1 THR B 106 -6.506 -13.690 16.992 1.00 0.00 H new ATOM 0 HG21 THR B 106 -4.707 -15.250 16.708 1.00 0.00 H new ATOM 0 HG22 THR B 106 -5.092 -16.786 15.897 1.00 0.00 H new ATOM 0 HG23 THR B 106 -5.057 -15.272 14.963 1.00 0.00 H new ATOM 1667 N SER B 107 -10.035 -16.313 14.703 1.00 0.00 N ATOM 1668 CA SER B 107 -11.449 -16.374 15.033 1.00 0.00 C ATOM 1669 C SER B 107 -11.865 -17.808 15.363 1.00 0.00 C ATOM 1670 O SER B 107 -12.708 -18.401 14.690 1.00 0.00 O ATOM 1671 CB SER B 107 -12.272 -15.827 13.868 1.00 0.00 C ATOM 1672 OG SER B 107 -11.809 -14.537 13.492 1.00 0.00 O ATOM 0 H SER B 107 -9.839 -16.310 13.702 1.00 0.00 H new ATOM 0 HA SER B 107 -11.634 -15.761 15.915 1.00 0.00 H new ATOM 0 HB2 SER B 107 -12.205 -16.506 13.018 1.00 0.00 H new ATOM 0 HB3 SER B 107 -13.323 -15.774 14.151 1.00 0.00 H new ATOM 0 HG SER B 107 -12.346 -14.202 12.744 1.00 0.00 H new ATOM 1678 N THR B 108 -11.255 -18.355 16.401 1.00 0.00 N ATOM 1679 CA THR B 108 -11.541 -19.712 16.837 1.00 0.00 C ATOM 1680 C THR B 108 -12.900 -19.818 17.553 1.00 0.00 C ATOM 1681 O THR B 108 -13.709 -20.678 17.201 1.00 0.00 O ATOM 1682 CB THR B 108 -10.413 -20.234 17.748 1.00 0.00 C ATOM 1683 OG1 THR B 108 -9.152 -20.073 17.082 1.00 0.00 O ATOM 1684 CG2 THR B 108 -10.621 -21.699 18.102 1.00 0.00 C ATOM 0 H THR B 108 -10.552 -17.875 16.962 1.00 0.00 H new ATOM 0 HA THR B 108 -11.595 -20.334 15.943 1.00 0.00 H new ATOM 0 HB THR B 108 -10.424 -19.658 18.673 1.00 0.00 H new ATOM 0 HG1 THR B 108 -8.432 -20.403 17.660 1.00 0.00 H new ATOM 0 HG21 THR B 108 -9.809 -22.037 18.745 1.00 0.00 H new ATOM 0 HG22 THR B 108 -11.570 -21.816 18.625 1.00 0.00 H new ATOM 0 HG23 THR B 108 -10.633 -22.296 17.190 1.00 0.00 H new ATOM 1692 N PRO B 109 -13.182 -18.962 18.566 1.00 0.00 N ATOM 1693 CA PRO B 109 -14.469 -18.992 19.279 1.00 0.00 C ATOM 1694 C PRO B 109 -15.648 -18.656 18.369 1.00 0.00 C ATOM 1695 O PRO B 109 -15.739 -17.549 17.830 1.00 0.00 O ATOM 1696 CB PRO B 109 -14.309 -17.921 20.364 1.00 0.00 C ATOM 1697 CG PRO B 109 -13.232 -17.026 19.861 1.00 0.00 C ATOM 1698 CD PRO B 109 -12.291 -17.915 19.107 1.00 0.00 C ATOM 0 HA PRO B 109 -14.687 -19.985 19.673 1.00 0.00 H new ATOM 0 HB2 PRO B 109 -15.238 -17.373 20.518 1.00 0.00 H new ATOM 0 HB3 PRO B 109 -14.038 -18.366 21.322 1.00 0.00 H new ATOM 0 HG2 PRO B 109 -13.639 -16.248 19.215 1.00 0.00 H new ATOM 0 HG3 PRO B 109 -12.723 -16.524 20.684 1.00 0.00 H new ATOM 0 HD2 PRO B 109 -11.775 -17.375 18.313 1.00 0.00 H new ATOM 0 HD3 PRO B 109 -11.524 -18.335 19.758 1.00 0.00 H new ATOM 1706 N GLY B 110 -16.549 -19.614 18.202 1.00 0.00 N ATOM 1707 CA GLY B 110 -17.702 -19.414 17.350 1.00 0.00 C ATOM 1708 C GLY B 110 -19.002 -19.672 18.077 1.00 0.00 C ATOM 1709 O GLY B 110 -19.694 -20.653 17.800 1.00 0.00 O ATOM 0 H GLY B 110 -16.500 -20.532 18.645 1.00 0.00 H new ATOM 0 HA2 GLY B 110 -17.697 -18.393 16.969 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -17.633 -20.076 16.487 1.00 0.00 H new ATOM 1713 N SER B 111 -19.340 -18.789 19.006 1.00 0.00 N ATOM 1714 CA SER B 111 -20.556 -18.933 19.801 1.00 0.00 C ATOM 1715 C SER B 111 -21.786 -18.518 18.998 1.00 0.00 C ATOM 1716 O SER B 111 -22.922 -18.698 19.437 1.00 0.00 O ATOM 1717 CB SER B 111 -20.452 -18.087 21.069 1.00 0.00 C ATOM 1718 OG SER B 111 -19.259 -18.380 21.780 1.00 0.00 O ATOM 0 H SER B 111 -18.788 -17.961 19.230 1.00 0.00 H new ATOM 0 HA SER B 111 -20.664 -19.983 20.074 1.00 0.00 H new ATOM 0 HB2 SER B 111 -20.473 -17.029 20.807 1.00 0.00 H new ATOM 0 HB3 SER B 111 -21.315 -18.275 21.707 1.00 0.00 H new ATOM 0 HG SER B 111 -19.214 -17.825 22.586 1.00 0.00 H new ATOM 1724 N ARG B 112 -21.552 -17.962 17.819 1.00 0.00 N ATOM 1725 CA ARG B 112 -22.636 -17.534 16.952 1.00 0.00 C ATOM 1726 C ARG B 112 -22.403 -18.031 15.533 1.00 0.00 C ATOM 1727 O ARG B 112 -21.260 -18.151 15.088 1.00 0.00 O ATOM 1728 CB ARG B 112 -22.762 -16.008 16.975 1.00 0.00 C ATOM 1729 CG ARG B 112 -21.522 -15.282 16.482 1.00 0.00 C ATOM 1730 CD ARG B 112 -21.660 -13.779 16.639 1.00 0.00 C ATOM 1731 NE ARG B 112 -20.524 -13.059 16.069 1.00 0.00 N ATOM 1732 CZ ARG B 112 -20.250 -11.780 16.320 1.00 0.00 C ATOM 1733 NH1 ARG B 112 -21.012 -11.083 17.156 1.00 0.00 N ATOM 1734 NH2 ARG B 112 -19.212 -11.196 15.732 1.00 0.00 N ATOM 0 H ARG B 112 -20.619 -17.797 17.441 1.00 0.00 H new ATOM 0 HA ARG B 112 -23.569 -17.962 17.318 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -23.612 -15.714 16.360 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -22.979 -15.686 17.994 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -20.651 -15.629 17.038 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -21.349 -15.525 15.434 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -22.578 -13.447 16.155 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -21.751 -13.533 17.697 1.00 0.00 H new ATOM 0 HE ARG B 112 -19.902 -13.567 15.440 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -21.811 -11.527 17.609 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -20.798 -10.104 17.345 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -18.625 -11.727 15.089 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -19.002 -10.217 15.924 1.00 0.00 H new ATOM 1748 N SER B 113 -23.482 -18.337 14.834 1.00 0.00 N ATOM 1749 CA SER B 113 -23.392 -18.819 13.470 1.00 0.00 C ATOM 1750 C SER B 113 -23.655 -17.689 12.482 1.00 0.00 C ATOM 1751 O SER B 113 -24.767 -17.163 12.398 1.00 0.00 O ATOM 1752 CB SER B 113 -24.378 -19.971 13.255 1.00 0.00 C ATOM 1753 OG SER B 113 -25.655 -19.661 13.791 1.00 0.00 O ATOM 0 H SER B 113 -24.434 -18.259 15.192 1.00 0.00 H new ATOM 0 HA SER B 113 -22.382 -19.189 13.295 1.00 0.00 H new ATOM 0 HB2 SER B 113 -24.469 -20.181 12.189 1.00 0.00 H new ATOM 0 HB3 SER B 113 -23.993 -20.875 13.726 1.00 0.00 H new ATOM 0 HG SER B 113 -25.896 -18.742 13.551 1.00 0.00 H new ATOM 1759 N HIS B 114 -22.623 -17.303 11.747 1.00 0.00 N ATOM 1760 CA HIS B 114 -22.753 -16.243 10.756 1.00 0.00 C ATOM 1761 C HIS B 114 -22.973 -16.834 9.369 1.00 0.00 C ATOM 1762 O HIS B 114 -22.363 -17.841 9.007 1.00 0.00 O ATOM 1763 CB HIS B 114 -21.532 -15.308 10.772 1.00 0.00 C ATOM 1764 CG HIS B 114 -20.198 -15.998 10.739 1.00 0.00 C ATOM 1765 ND1 HIS B 114 -19.313 -15.964 11.796 1.00 0.00 N ATOM 1766 CD2 HIS B 114 -19.593 -16.728 9.770 1.00 0.00 C ATOM 1767 CE1 HIS B 114 -18.225 -16.640 11.477 1.00 0.00 C ATOM 1768 NE2 HIS B 114 -18.370 -17.114 10.255 1.00 0.00 N ATOM 0 H HIS B 114 -21.689 -17.706 11.817 1.00 0.00 H new ATOM 0 HA HIS B 114 -23.626 -15.644 11.016 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -21.597 -14.637 9.916 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -21.581 -14.688 11.667 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -19.999 -16.962 8.797 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -17.362 -16.781 12.110 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -17.684 -17.677 9.752 1.00 0.00 H new ATOM 1777 N HIS B 115 -23.860 -16.214 8.610 1.00 0.00 N ATOM 1778 CA HIS B 115 -24.207 -16.700 7.284 1.00 0.00 C ATOM 1779 C HIS B 115 -23.402 -15.969 6.219 1.00 0.00 C ATOM 1780 O HIS B 115 -23.071 -14.793 6.374 1.00 0.00 O ATOM 1781 CB HIS B 115 -25.705 -16.529 7.017 1.00 0.00 C ATOM 1782 CG HIS B 115 -26.577 -17.429 7.840 1.00 0.00 C ATOM 1783 ND1 HIS B 115 -27.138 -18.587 7.349 1.00 0.00 N ATOM 1784 CD2 HIS B 115 -26.987 -17.333 9.129 1.00 0.00 C ATOM 1785 CE1 HIS B 115 -27.852 -19.164 8.296 1.00 0.00 C ATOM 1786 NE2 HIS B 115 -27.778 -18.425 9.385 1.00 0.00 N ATOM 0 H HIS B 115 -24.356 -15.368 8.891 1.00 0.00 H new ATOM 0 HA HIS B 115 -23.965 -17.762 7.241 1.00 0.00 H new ATOM 0 HB2 HIS B 115 -25.983 -15.493 7.212 1.00 0.00 H new ATOM 0 HB3 HIS B 115 -25.899 -16.718 5.961 1.00 0.00 H new ATOM 0 HD2 HIS B 115 -26.738 -16.545 9.824 1.00 0.00 H new ATOM 0 HE1 HIS B 115 -28.404 -20.087 8.196 1.00 0.00 H new ATOM 0 HE2 HIS B 115 -28.234 -18.631 10.274 1.00 0.00 H new ATOM 1795 N HIS B 116 -23.087 -16.673 5.146 1.00 0.00 N ATOM 1796 CA HIS B 116 -22.308 -16.109 4.052 1.00 0.00 C ATOM 1797 C HIS B 116 -23.223 -15.611 2.943 1.00 0.00 C ATOM 1798 O HIS B 116 -23.473 -16.319 1.971 1.00 0.00 O ATOM 1799 CB HIS B 116 -21.343 -17.152 3.489 1.00 0.00 C ATOM 1800 CG HIS B 116 -20.186 -17.465 4.384 1.00 0.00 C ATOM 1801 ND1 HIS B 116 -18.900 -17.077 4.099 1.00 0.00 N ATOM 1802 CD2 HIS B 116 -20.121 -18.150 5.549 1.00 0.00 C ATOM 1803 CE1 HIS B 116 -18.091 -17.508 5.042 1.00 0.00 C ATOM 1804 NE2 HIS B 116 -18.805 -18.164 5.939 1.00 0.00 N ATOM 0 H HIS B 116 -23.361 -17.646 5.006 1.00 0.00 H new ATOM 0 HA HIS B 116 -21.736 -15.268 4.444 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -21.894 -18.071 3.292 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -20.961 -16.798 2.531 1.00 0.00 H new ATOM 0 HD1 HIS B 116 -18.616 -16.537 3.281 1.00 0.00 H new ATOM 0 HD2 HIS B 116 -20.950 -18.601 6.074 1.00 0.00 H new ATOM 0 HE1 HIS B 116 -17.023 -17.352 5.077 1.00 0.00 H new ATOM 1813 N HIS B 117 -23.730 -14.397 3.093 1.00 0.00 N ATOM 1814 CA HIS B 117 -24.612 -13.823 2.085 1.00 0.00 C ATOM 1815 C HIS B 117 -23.813 -12.974 1.103 1.00 0.00 C ATOM 1816 O HIS B 117 -24.156 -12.878 -0.076 1.00 0.00 O ATOM 1817 CB HIS B 117 -25.714 -12.987 2.744 1.00 0.00 C ATOM 1818 CG HIS B 117 -26.761 -12.519 1.781 1.00 0.00 C ATOM 1819 ND1 HIS B 117 -27.169 -11.208 1.691 1.00 0.00 N ATOM 1820 CD2 HIS B 117 -27.486 -13.200 0.859 1.00 0.00 C ATOM 1821 CE1 HIS B 117 -28.097 -11.101 0.761 1.00 0.00 C ATOM 1822 NE2 HIS B 117 -28.306 -12.293 0.241 1.00 0.00 N ATOM 0 H HIS B 117 -23.549 -13.794 3.895 1.00 0.00 H new ATOM 0 HA HIS B 117 -25.084 -14.638 1.536 1.00 0.00 H new ATOM 0 HB2 HIS B 117 -26.189 -13.578 3.527 1.00 0.00 H new ATOM 0 HB3 HIS B 117 -25.263 -12.121 3.228 1.00 0.00 H new ATOM 0 HD2 HIS B 117 -27.428 -14.258 0.651 1.00 0.00 H new ATOM 0 HE1 HIS B 117 -28.601 -10.190 0.474 1.00 0.00 H new ATOM 0 HE2 HIS B 117 -28.971 -12.506 -0.502 1.00 0.00 H new ATOM 1831 N HIS B 118 -22.748 -12.358 1.597 1.00 0.00 N ATOM 1832 CA HIS B 118 -21.874 -11.553 0.755 1.00 0.00 C ATOM 1833 C HIS B 118 -20.866 -12.445 0.045 1.00 0.00 C ATOM 1834 O HIS B 118 -20.742 -12.413 -1.179 1.00 0.00 O ATOM 1835 CB HIS B 118 -21.131 -10.497 1.581 1.00 0.00 C ATOM 1836 CG HIS B 118 -22.005 -9.403 2.124 1.00 0.00 C ATOM 1837 ND1 HIS B 118 -22.256 -9.237 3.470 1.00 0.00 N ATOM 1838 CD2 HIS B 118 -22.657 -8.395 1.498 1.00 0.00 C ATOM 1839 CE1 HIS B 118 -23.022 -8.178 3.646 1.00 0.00 C ATOM 1840 NE2 HIS B 118 -23.280 -7.648 2.466 1.00 0.00 N ATOM 0 H HIS B 118 -22.468 -12.400 2.577 1.00 0.00 H new ATOM 0 HA HIS B 118 -22.494 -11.043 0.018 1.00 0.00 H new ATOM 0 HB2 HIS B 118 -20.630 -10.991 2.413 1.00 0.00 H new ATOM 0 HB3 HIS B 118 -20.354 -10.050 0.961 1.00 0.00 H new ATOM 0 HD2 HIS B 118 -22.682 -8.213 0.434 1.00 0.00 H new ATOM 0 HE1 HIS B 118 -23.378 -7.807 4.596 1.00 0.00 H new ATOM 0 HE2 HIS B 118 -23.850 -6.818 2.300 1.00 0.00 H new ATOM 1849 N HIS B 119 -20.148 -13.241 0.826 1.00 0.00 N ATOM 1850 CA HIS B 119 -19.135 -14.142 0.294 1.00 0.00 C ATOM 1851 C HIS B 119 -19.063 -15.406 1.133 1.00 0.00 C ATOM 1852 O HIS B 119 -19.737 -16.397 0.785 1.00 0.00 O ATOM 1853 CB HIS B 119 -17.765 -13.460 0.253 1.00 0.00 C ATOM 1854 CG HIS B 119 -17.601 -12.526 -0.903 1.00 0.00 C ATOM 1855 ND1 HIS B 119 -17.335 -11.180 -0.765 1.00 0.00 N ATOM 1856 CD2 HIS B 119 -17.664 -12.758 -2.233 1.00 0.00 C ATOM 1857 CE1 HIS B 119 -17.245 -10.629 -1.960 1.00 0.00 C ATOM 1858 NE2 HIS B 119 -17.439 -11.565 -2.869 1.00 0.00 N ATOM 1859 OXT HIS B 119 -18.349 -15.395 2.159 1.00 0.00 O ATOM 0 H HIS B 119 -20.250 -13.280 1.840 1.00 0.00 H new ATOM 0 HA HIS B 119 -19.417 -14.407 -0.725 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -17.614 -12.908 1.181 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -16.989 -14.224 0.207 1.00 0.00 H new ATOM 0 HD1 HIS B 119 -17.225 -10.688 0.122 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -17.856 -13.709 -2.707 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -17.046 -9.587 -2.161 1.00 0.00 H new TER 1868 HIS B 119