USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 910 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: 1 29 SER OG : rot -130:sc= -1.23! USER MOD Set 1.2: 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 0 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : 1 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 2 HIS : no HE2:sc= 0.00224 X(o=0.0022,f=-0.19) USER MOD Single : 1 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 4 SER OG : rot 180:sc= 0 USER MOD Single : 1 5 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 6 SER OG : rot 180:sc= 0 USER MOD Single : 1 -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 -2 HIS : no HD1:sc= -0.577 K(o=-0.58,f=-0.057) USER MOD Single : 1 -3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 -3 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 11 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 13 ASN : amide:sc= -0.0197 X(o=-0.02,f=0.099) USER MOD Single : 1 15 TYR OH : rot 180:sc= 0 USER MOD Single : 1 17 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.9!) USER MOD Single : 1 18 SER OG : rot 180:sc= 0 USER MOD Single : 1 19 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 MET CE :methyl 150:sc= -0.168 (180deg=-0.348) USER MOD Single : 1 31 GLN : amide:sc= 0 X(o=0,f=0.046) USER MOD Single : 1 32 THR OG1 : rot -69:sc= -2.28! USER MOD Single : 1 33 SER OG : rot 180:sc= 0 USER MOD Single : 1 36 SER OG : rot 180:sc= 0 USER MOD Single : 1 40 TYR OH : rot -52:sc= 0.129 USER MOD Single : 1 42 SER OG : rot 90:sc= -0.731! USER MOD Single : 1 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 50 CYS SG : rot -149:sc= -3.07! USER MOD Single : 1 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 57 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : 1 58 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 61 SER OG : rot 150:sc= 0.139 USER MOD Single : 1 68 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 74 SER OG : rot -159:sc= 0.356! USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 81 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : 1 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 88 SER OG : rot 180:sc= 0 USER MOD Single : 1 90 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 107 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 109 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 -3 21.037 13.040 46.845 1.00 0.00 N ATOM 2 CA MET 1 -3 19.814 13.391 46.077 1.00 0.00 C ATOM 3 C MET 1 -3 18.631 13.617 47.013 1.00 0.00 C ATOM 4 O MET 1 -3 18.461 12.888 47.995 1.00 0.00 O ATOM 5 CB MET 1 -3 19.476 12.284 45.073 1.00 0.00 C ATOM 6 CG MET 1 -3 20.409 12.240 43.871 1.00 0.00 C ATOM 7 SD MET 1 -3 19.966 10.949 42.694 1.00 0.00 S ATOM 8 CE MET 1 -3 21.197 11.217 41.421 1.00 0.00 C ATOM 0 H1 MET 1 -3 21.829 12.891 46.188 1.00 0.00 H new ATOM 0 H2 MET 1 -3 21.271 13.815 47.499 1.00 0.00 H new ATOM 0 H3 MET 1 -3 20.868 12.169 47.387 1.00 0.00 H new ATOM 0 HA MET 1 -3 20.012 14.316 45.535 1.00 0.00 H new ATOM 0 HB2 MET 1 -3 19.510 11.321 45.583 1.00 0.00 H new ATOM 0 HB3 MET 1 -3 18.453 12.424 44.723 1.00 0.00 H new ATOM 0 HG2 MET 1 -3 20.392 13.207 43.367 1.00 0.00 H new ATOM 0 HG3 MET 1 -3 21.431 12.078 44.215 1.00 0.00 H new ATOM 0 HE1 MET 1 -3 21.055 10.493 40.619 1.00 0.00 H new ATOM 0 HE2 MET 1 -3 21.093 12.226 41.021 1.00 0.00 H new ATOM 0 HE3 MET 1 -3 22.193 11.096 41.847 1.00 0.00 H new ATOM 20 N HIS 1 -2 17.821 14.631 46.695 1.00 0.00 N ATOM 21 CA HIS 1 -2 16.642 14.977 47.496 1.00 0.00 C ATOM 22 C HIS 1 -2 15.366 14.391 46.886 1.00 0.00 C ATOM 23 O HIS 1 -2 15.296 14.161 45.675 1.00 0.00 O ATOM 24 CB HIS 1 -2 16.516 16.508 47.656 1.00 0.00 C ATOM 25 CG HIS 1 -2 16.573 17.286 46.370 1.00 0.00 C ATOM 26 ND1 HIS 1 -2 15.453 17.802 45.750 1.00 0.00 N ATOM 27 CD2 HIS 1 -2 17.625 17.637 45.591 1.00 0.00 C ATOM 28 CE1 HIS 1 -2 15.814 18.435 44.647 1.00 0.00 C ATOM 29 NE2 HIS 1 -2 17.126 18.349 44.529 1.00 0.00 N ATOM 0 H HIS 1 -2 17.962 15.231 45.882 1.00 0.00 H new ATOM 0 HA HIS 1 -2 16.773 14.539 48.485 1.00 0.00 H new ATOM 0 HB2 HIS 1 -2 15.573 16.730 48.156 1.00 0.00 H new ATOM 0 HB3 HIS 1 -2 17.315 16.857 48.311 1.00 0.00 H new ATOM 0 HD2 HIS 1 -2 18.663 17.400 45.772 1.00 0.00 H new ATOM 0 HE1 HIS 1 -2 15.149 18.937 43.960 1.00 0.00 H new ATOM 0 HE2 HIS 1 -2 17.680 18.747 43.771 1.00 0.00 H new ATOM 38 N HIS 1 -1 14.366 14.154 47.743 1.00 0.00 N ATOM 39 CA HIS 1 -1 13.086 13.592 47.314 1.00 0.00 C ATOM 40 C HIS 1 -1 12.005 14.669 47.262 1.00 0.00 C ATOM 41 O HIS 1 -1 11.907 15.501 48.169 1.00 0.00 O ATOM 42 CB HIS 1 -1 12.657 12.472 48.262 1.00 0.00 C ATOM 43 CG HIS 1 -1 12.332 11.187 47.565 1.00 0.00 C ATOM 44 ND1 HIS 1 -1 11.069 10.877 47.107 1.00 0.00 N ATOM 45 CD2 HIS 1 -1 13.115 10.129 47.250 1.00 0.00 C ATOM 46 CE1 HIS 1 -1 11.089 9.683 46.541 1.00 0.00 C ATOM 47 NE2 HIS 1 -1 12.319 9.209 46.615 1.00 0.00 N ATOM 0 H HIS 1 -1 14.423 14.345 48.743 1.00 0.00 H new ATOM 0 HA HIS 1 -1 13.215 13.185 46.311 1.00 0.00 H new ATOM 0 HB2 HIS 1 -1 13.454 12.293 48.983 1.00 0.00 H new ATOM 0 HB3 HIS 1 -1 11.784 12.800 48.827 1.00 0.00 H new ATOM 0 HD2 HIS 1 -1 14.170 10.028 47.459 1.00 0.00 H new ATOM 0 HE1 HIS 1 -1 10.244 9.181 46.094 1.00 0.00 H new ATOM 0 HE2 HIS 1 -1 12.628 8.305 46.258 1.00 0.00 H new ATOM 56 N HIS 1 0 11.201 14.641 46.192 1.00 0.00 N ATOM 57 CA HIS 1 0 10.113 15.607 46.002 1.00 0.00 C ATOM 58 C HIS 1 0 8.817 14.902 45.598 1.00 0.00 C ATOM 59 O HIS 1 0 8.833 13.994 44.761 1.00 0.00 O ATOM 60 CB HIS 1 0 10.492 16.679 44.957 1.00 0.00 C ATOM 61 CG HIS 1 0 11.084 16.142 43.681 1.00 0.00 C ATOM 62 ND1 HIS 1 0 10.330 15.557 42.687 1.00 0.00 N ATOM 63 CD2 HIS 1 0 12.367 16.110 43.245 1.00 0.00 C ATOM 64 CE1 HIS 1 0 11.121 15.186 41.695 1.00 0.00 C ATOM 65 NE2 HIS 1 0 12.361 15.512 42.010 1.00 0.00 N ATOM 0 H HIS 1 0 11.285 13.956 45.441 1.00 0.00 H new ATOM 0 HA HIS 1 0 9.949 16.107 46.956 1.00 0.00 H new ATOM 0 HB2 HIS 1 0 9.601 17.257 44.712 1.00 0.00 H new ATOM 0 HB3 HIS 1 0 11.205 17.369 45.408 1.00 0.00 H new ATOM 0 HD2 HIS 1 0 13.232 16.485 43.771 1.00 0.00 H new ATOM 0 HE1 HIS 1 0 10.807 14.700 40.783 1.00 0.00 H new ATOM 0 HE2 HIS 1 0 13.183 15.346 41.429 1.00 0.00 H new ATOM 74 N HIS 1 1 7.705 15.332 46.202 1.00 0.00 N ATOM 75 CA HIS 1 1 6.390 14.755 45.925 1.00 0.00 C ATOM 76 C HIS 1 1 5.526 15.731 45.130 1.00 0.00 C ATOM 77 O HIS 1 1 5.495 16.928 45.433 1.00 0.00 O ATOM 78 CB HIS 1 1 5.693 14.385 47.238 1.00 0.00 C ATOM 79 CG HIS 1 1 4.807 13.180 47.136 1.00 0.00 C ATOM 80 ND1 HIS 1 1 5.168 11.939 47.619 1.00 0.00 N ATOM 81 CD2 HIS 1 1 3.567 13.031 46.611 1.00 0.00 C ATOM 82 CE1 HIS 1 1 4.190 11.079 47.394 1.00 0.00 C ATOM 83 NE2 HIS 1 1 3.208 11.717 46.785 1.00 0.00 N ATOM 0 H HIS 1 1 7.692 16.084 46.891 1.00 0.00 H new ATOM 0 HA HIS 1 1 6.528 13.854 45.327 1.00 0.00 H new ATOM 0 HB2 HIS 1 1 6.450 14.204 48.001 1.00 0.00 H new ATOM 0 HB3 HIS 1 1 5.098 15.234 47.574 1.00 0.00 H new ATOM 0 HD2 HIS 1 1 2.972 13.801 46.143 1.00 0.00 H new ATOM 0 HE1 HIS 1 1 4.194 10.033 47.663 1.00 0.00 H new ATOM 0 HE2 HIS 1 1 2.324 11.301 46.491 1.00 0.00 H new ATOM 92 N HIS 1 2 4.829 15.209 44.114 1.00 0.00 N ATOM 93 CA HIS 1 2 3.958 16.022 43.262 1.00 0.00 C ATOM 94 C HIS 1 2 2.590 15.360 43.096 1.00 0.00 C ATOM 95 O HIS 1 2 2.484 14.129 43.105 1.00 0.00 O ATOM 96 CB HIS 1 2 4.606 16.236 41.891 1.00 0.00 C ATOM 97 CG HIS 1 2 4.283 17.561 41.270 1.00 0.00 C ATOM 98 ND1 HIS 1 2 3.046 17.865 40.742 1.00 0.00 N ATOM 99 CD2 HIS 1 2 5.045 18.667 41.098 1.00 0.00 C ATOM 100 CE1 HIS 1 2 3.062 19.100 40.271 1.00 0.00 C ATOM 101 NE2 HIS 1 2 4.263 19.607 40.476 1.00 0.00 N ATOM 0 H HIS 1 2 4.853 14.221 43.862 1.00 0.00 H new ATOM 0 HA HIS 1 2 3.818 16.990 43.744 1.00 0.00 H new ATOM 0 HB2 HIS 1 2 5.688 16.147 41.993 1.00 0.00 H new ATOM 0 HB3 HIS 1 2 4.283 15.441 41.219 1.00 0.00 H new ATOM 0 HD1 HIS 1 2 2.244 17.235 40.719 1.00 0.00 H new ATOM 0 HD2 HIS 1 2 6.076 18.787 41.395 1.00 0.00 H new ATOM 0 HE1 HIS 1 2 2.234 19.607 39.799 1.00 0.00 H new ATOM 110 N HIS 1 3 1.552 16.189 42.943 1.00 0.00 N ATOM 111 CA HIS 1 3 0.180 15.704 42.773 1.00 0.00 C ATOM 112 C HIS 1 3 -0.241 15.750 41.306 1.00 0.00 C ATOM 113 O HIS 1 3 -0.089 16.779 40.641 1.00 0.00 O ATOM 114 CB HIS 1 3 -0.790 16.534 43.617 1.00 0.00 C ATOM 115 CG HIS 1 3 -0.723 16.235 45.082 1.00 0.00 C ATOM 116 ND1 HIS 1 3 -1.424 15.204 45.673 1.00 0.00 N ATOM 117 CD2 HIS 1 3 -0.036 16.839 46.082 1.00 0.00 C ATOM 118 CE1 HIS 1 3 -1.173 15.188 46.969 1.00 0.00 C ATOM 119 NE2 HIS 1 3 -0.334 16.169 47.243 1.00 0.00 N ATOM 0 H HIS 1 3 1.638 17.205 42.934 1.00 0.00 H new ATOM 0 HA HIS 1 3 0.149 14.668 43.109 1.00 0.00 H new ATOM 0 HB2 HIS 1 3 -0.579 17.592 43.461 1.00 0.00 H new ATOM 0 HB3 HIS 1 3 -1.806 16.357 43.265 1.00 0.00 H new ATOM 0 HD2 HIS 1 3 0.623 17.689 45.984 1.00 0.00 H new ATOM 0 HE1 HIS 1 3 -1.584 14.491 47.684 1.00 0.00 H new ATOM 0 HE2 HIS 1 3 0.034 16.393 48.168 1.00 0.00 H new ATOM 128 N SER 1 4 -0.778 14.626 40.818 1.00 0.00 N ATOM 129 CA SER 1 4 -1.232 14.506 39.428 1.00 0.00 C ATOM 130 C SER 1 4 -2.733 14.778 39.319 1.00 0.00 C ATOM 131 O SER 1 4 -3.523 14.258 40.114 1.00 0.00 O ATOM 132 CB SER 1 4 -0.914 13.105 38.894 1.00 0.00 C ATOM 133 OG SER 1 4 -1.136 13.023 37.495 1.00 0.00 O ATOM 0 H SER 1 4 -0.910 13.779 41.371 1.00 0.00 H new ATOM 0 HA SER 1 4 -0.705 15.249 38.829 1.00 0.00 H new ATOM 0 HB2 SER 1 4 0.124 12.857 39.115 1.00 0.00 H new ATOM 0 HB3 SER 1 4 -1.534 12.369 39.406 1.00 0.00 H new ATOM 0 HG SER 1 4 -0.923 12.119 37.182 1.00 0.00 H new ATOM 139 N THR 1 5 -3.113 15.595 38.330 1.00 0.00 N ATOM 140 CA THR 1 5 -4.519 15.942 38.106 1.00 0.00 C ATOM 141 C THR 1 5 -4.940 15.677 36.650 1.00 0.00 C ATOM 142 O THR 1 5 -5.960 15.026 36.406 1.00 0.00 O ATOM 143 CB THR 1 5 -4.831 17.417 38.523 1.00 0.00 C ATOM 144 OG1 THR 1 5 -6.191 17.751 38.205 1.00 0.00 O ATOM 145 CG2 THR 1 5 -3.893 18.438 37.865 1.00 0.00 C ATOM 0 H THR 1 5 -2.465 16.028 37.672 1.00 0.00 H new ATOM 0 HA THR 1 5 -5.112 15.291 38.748 1.00 0.00 H new ATOM 0 HB THR 1 5 -4.671 17.470 39.600 1.00 0.00 H new ATOM 0 HG1 THR 1 5 -6.372 18.676 38.473 1.00 0.00 H new ATOM 0 HG21 THR 1 5 -4.160 19.442 38.194 1.00 0.00 H new ATOM 0 HG22 THR 1 5 -2.863 18.224 38.152 1.00 0.00 H new ATOM 0 HG23 THR 1 5 -3.988 18.374 36.781 1.00 0.00 H new ATOM 153 N SER 1 6 -4.142 16.183 35.700 1.00 0.00 N ATOM 154 CA SER 1 6 -4.418 16.010 34.270 1.00 0.00 C ATOM 155 C SER 1 6 -3.623 14.841 33.695 1.00 0.00 C ATOM 156 O SER 1 6 -2.410 14.745 33.904 1.00 0.00 O ATOM 157 CB SER 1 6 -4.084 17.293 33.508 1.00 0.00 C ATOM 158 OG SER 1 6 -4.905 18.368 33.933 1.00 0.00 O ATOM 0 H SER 1 6 -3.297 16.718 35.899 1.00 0.00 H new ATOM 0 HA SER 1 6 -5.480 15.791 34.156 1.00 0.00 H new ATOM 0 HB2 SER 1 6 -3.036 17.549 33.663 1.00 0.00 H new ATOM 0 HB3 SER 1 6 -4.218 17.130 32.439 1.00 0.00 H new ATOM 0 HG SER 1 6 -4.670 19.177 33.432 1.00 0.00 H new ATOM 164 N VAL 1 7 -4.321 13.960 32.969 1.00 0.00 N ATOM 165 CA VAL 1 7 -3.700 12.779 32.354 1.00 0.00 C ATOM 166 C VAL 1 7 -3.363 13.059 30.882 1.00 0.00 C ATOM 167 O VAL 1 7 -4.248 13.393 30.090 1.00 0.00 O ATOM 168 CB VAL 1 7 -4.621 11.521 32.449 1.00 0.00 C ATOM 169 CG1 VAL 1 7 -3.857 10.241 32.112 1.00 0.00 C ATOM 170 CG2 VAL 1 7 -5.252 11.394 33.834 1.00 0.00 C ATOM 0 H VAL 1 7 -5.322 14.043 32.792 1.00 0.00 H new ATOM 0 HA VAL 1 7 -2.784 12.570 32.907 1.00 0.00 H new ATOM 0 HB VAL 1 7 -5.415 11.656 31.715 1.00 0.00 H new ATOM 0 HG11 VAL 1 7 -4.528 9.386 32.188 1.00 0.00 H new ATOM 0 HG12 VAL 1 7 -3.467 10.307 31.096 1.00 0.00 H new ATOM 0 HG13 VAL 1 7 -3.030 10.116 32.811 1.00 0.00 H new ATOM 0 HG21 VAL 1 7 -5.886 10.508 33.865 1.00 0.00 H new ATOM 0 HG22 VAL 1 7 -4.467 11.304 34.585 1.00 0.00 H new ATOM 0 HG23 VAL 1 7 -5.854 12.279 34.042 1.00 0.00 H new ATOM 180 N ASP 1 8 -2.076 12.910 30.537 1.00 0.00 N ATOM 181 CA ASP 1 8 -1.594 13.136 29.169 1.00 0.00 C ATOM 182 C ASP 1 8 -1.697 11.860 28.332 1.00 0.00 C ATOM 183 O ASP 1 8 -1.412 10.765 28.825 1.00 0.00 O ATOM 184 CB ASP 1 8 -0.144 13.628 29.188 1.00 0.00 C ATOM 185 CG ASP 1 8 -0.019 15.051 29.701 1.00 0.00 C ATOM 186 OD1 ASP 1 8 -0.063 15.985 28.873 1.00 0.00 O ATOM 187 OD2 ASP 1 8 0.123 15.230 30.929 1.00 0.00 O ATOM 0 H ASP 1 8 -1.346 12.632 31.193 1.00 0.00 H new ATOM 0 HA ASP 1 8 -2.225 13.900 28.714 1.00 0.00 H new ATOM 0 HB2 ASP 1 8 0.453 12.966 29.815 1.00 0.00 H new ATOM 0 HB3 ASP 1 8 0.269 13.571 28.181 1.00 0.00 H new ATOM 192 N LEU 1 9 -2.110 12.016 27.066 1.00 0.00 N ATOM 193 CA LEU 1 9 -2.261 10.884 26.143 1.00 0.00 C ATOM 194 C LEU 1 9 -0.959 10.590 25.384 1.00 0.00 C ATOM 195 O LEU 1 9 0.065 11.243 25.612 1.00 0.00 O ATOM 196 CB LEU 1 9 -3.404 11.153 25.150 1.00 0.00 C ATOM 197 CG LEU 1 9 -4.819 10.832 25.649 1.00 0.00 C ATOM 198 CD1 LEU 1 9 -5.842 11.551 24.790 1.00 0.00 C ATOM 199 CD2 LEU 1 9 -5.088 9.329 25.625 1.00 0.00 C ATOM 0 H LEU 1 9 -2.346 12.920 26.657 1.00 0.00 H new ATOM 0 HA LEU 1 9 -2.503 10.004 26.739 1.00 0.00 H new ATOM 0 HB2 LEU 1 9 -3.371 12.204 24.865 1.00 0.00 H new ATOM 0 HB3 LEU 1 9 -3.218 10.572 24.247 1.00 0.00 H new ATOM 0 HG LEU 1 9 -4.901 11.174 26.681 1.00 0.00 H new ATOM 0 HD11 LEU 1 9 -6.845 11.320 25.148 1.00 0.00 H new ATOM 0 HD12 LEU 1 9 -5.675 12.627 24.848 1.00 0.00 H new ATOM 0 HD13 LEU 1 9 -5.742 11.224 23.755 1.00 0.00 H new ATOM 0 HD21 LEU 1 9 -6.099 9.134 25.984 1.00 0.00 H new ATOM 0 HD22 LEU 1 9 -4.988 8.958 24.605 1.00 0.00 H new ATOM 0 HD23 LEU 1 9 -4.370 8.821 26.269 1.00 0.00 H new ATOM 211 N GLY 1 10 -1.021 9.599 24.484 1.00 0.00 N ATOM 212 CA GLY 1 10 0.137 9.205 23.695 1.00 0.00 C ATOM 213 C GLY 1 10 0.400 7.714 23.769 1.00 0.00 C ATOM 214 O GLY 1 10 1.376 7.284 24.388 1.00 0.00 O ATOM 0 H GLY 1 10 -1.865 9.060 24.290 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 -0.019 9.494 22.655 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 1.016 9.745 24.048 1.00 0.00 H new ATOM 218 N THR 1 11 -0.480 6.932 23.135 1.00 0.00 N ATOM 219 CA THR 1 11 -0.362 5.468 23.121 1.00 0.00 C ATOM 220 C THR 1 11 -0.423 4.924 21.693 1.00 0.00 C ATOM 221 O THR 1 11 0.024 3.805 21.425 1.00 0.00 O ATOM 222 CB THR 1 11 -1.481 4.807 23.961 1.00 0.00 C ATOM 223 OG1 THR 1 11 -2.769 5.102 23.401 1.00 0.00 O ATOM 224 CG2 THR 1 11 -1.439 5.296 25.400 1.00 0.00 C ATOM 0 H THR 1 11 -1.286 7.290 22.622 1.00 0.00 H new ATOM 0 HA THR 1 11 0.606 5.223 23.559 1.00 0.00 H new ATOM 0 HB THR 1 11 -1.315 3.730 23.946 1.00 0.00 H new ATOM 0 HG1 THR 1 11 -3.466 4.676 23.942 1.00 0.00 H new ATOM 0 HG21 THR 1 11 -2.235 4.817 25.970 1.00 0.00 H new ATOM 0 HG22 THR 1 11 -0.475 5.045 25.842 1.00 0.00 H new ATOM 0 HG23 THR 1 11 -1.577 6.377 25.421 1.00 0.00 H new ATOM 232 N GLU 1 12 -0.973 5.740 20.789 1.00 0.00 N ATOM 233 CA GLU 1 12 -1.127 5.382 19.375 1.00 0.00 C ATOM 234 C GLU 1 12 0.040 5.918 18.561 1.00 0.00 C ATOM 235 O GLU 1 12 0.569 5.241 17.674 1.00 0.00 O ATOM 236 CB GLU 1 12 -2.437 5.962 18.816 1.00 0.00 C ATOM 237 CG GLU 1 12 -3.601 5.932 19.790 1.00 0.00 C ATOM 238 CD GLU 1 12 -4.890 6.449 19.182 1.00 0.00 C ATOM 239 OE1 GLU 1 12 -5.183 7.651 19.346 1.00 0.00 O ATOM 240 OE2 GLU 1 12 -5.605 5.651 18.541 1.00 0.00 O ATOM 0 H GLU 1 12 -1.325 6.670 21.017 1.00 0.00 H new ATOM 0 HA GLU 1 12 -1.150 4.295 19.302 1.00 0.00 H new ATOM 0 HB2 GLU 1 12 -2.262 6.993 18.509 1.00 0.00 H new ATOM 0 HB3 GLU 1 12 -2.714 5.406 17.920 1.00 0.00 H new ATOM 0 HG2 GLU 1 12 -3.753 4.910 20.136 1.00 0.00 H new ATOM 0 HG3 GLU 1 12 -3.352 6.532 20.666 1.00 0.00 H new ATOM 247 N ASN 1 13 0.413 7.150 18.884 1.00 0.00 N ATOM 248 CA ASN 1 13 1.519 7.860 18.237 1.00 0.00 C ATOM 249 C ASN 1 13 2.894 7.410 18.786 1.00 0.00 C ATOM 250 O ASN 1 13 3.823 8.218 18.924 1.00 0.00 O ATOM 251 CB ASN 1 13 1.306 9.368 18.437 1.00 0.00 C ATOM 252 CG ASN 1 13 1.932 10.216 17.380 1.00 0.00 C ATOM 253 OD1 ASN 1 13 3.032 9.952 16.887 1.00 0.00 O ATOM 254 ND2 ASN 1 13 1.208 11.249 17.028 1.00 0.00 N ATOM 0 H ASN 1 13 -0.048 7.695 19.612 1.00 0.00 H new ATOM 0 HA ASN 1 13 1.525 7.623 17.173 1.00 0.00 H new ATOM 0 HB2 ASN 1 13 0.236 9.573 18.466 1.00 0.00 H new ATOM 0 HB3 ASN 1 13 1.712 9.656 19.407 1.00 0.00 H new ATOM 0 HD21 ASN 1 13 1.547 11.888 16.309 1.00 0.00 H new ATOM 0 HD22 ASN 1 13 0.305 11.414 17.473 1.00 0.00 H new ATOM 261 N LEU 1 14 3.014 6.103 19.070 1.00 0.00 N ATOM 262 CA LEU 1 14 4.250 5.514 19.605 1.00 0.00 C ATOM 263 C LEU 1 14 5.249 5.198 18.480 1.00 0.00 C ATOM 264 O LEU 1 14 4.856 5.035 17.321 1.00 0.00 O ATOM 265 CB LEU 1 14 3.914 4.247 20.411 1.00 0.00 C ATOM 266 CG LEU 1 14 4.888 3.886 21.549 1.00 0.00 C ATOM 267 CD1 LEU 1 14 4.697 4.801 22.758 1.00 0.00 C ATOM 268 CD2 LEU 1 14 4.700 2.434 21.969 1.00 0.00 C ATOM 0 H LEU 1 14 2.260 5.429 18.936 1.00 0.00 H new ATOM 0 HA LEU 1 14 4.723 6.240 20.266 1.00 0.00 H new ATOM 0 HB2 LEU 1 14 2.918 4.366 20.838 1.00 0.00 H new ATOM 0 HB3 LEU 1 14 3.866 3.405 19.721 1.00 0.00 H new ATOM 0 HG LEU 1 14 5.901 4.024 21.171 1.00 0.00 H new ATOM 0 HD11 LEU 1 14 5.400 4.519 23.542 1.00 0.00 H new ATOM 0 HD12 LEU 1 14 4.877 5.835 22.464 1.00 0.00 H new ATOM 0 HD13 LEU 1 14 3.678 4.703 23.131 1.00 0.00 H new ATOM 0 HD21 LEU 1 14 5.395 2.195 22.774 1.00 0.00 H new ATOM 0 HD22 LEU 1 14 3.678 2.285 22.317 1.00 0.00 H new ATOM 0 HD23 LEU 1 14 4.892 1.781 21.118 1.00 0.00 H new ATOM 280 N TYR 1 15 6.537 5.100 18.843 1.00 0.00 N ATOM 281 CA TYR 1 15 7.616 4.836 17.876 1.00 0.00 C ATOM 282 C TYR 1 15 7.833 3.338 17.599 1.00 0.00 C ATOM 283 O TYR 1 15 8.526 2.985 16.639 1.00 0.00 O ATOM 284 CB TYR 1 15 8.924 5.454 18.381 1.00 0.00 C ATOM 285 CG TYR 1 15 9.005 6.950 18.178 1.00 0.00 C ATOM 286 CD1 TYR 1 15 9.545 7.482 17.013 1.00 0.00 C ATOM 287 CD2 TYR 1 15 8.538 7.831 19.147 1.00 0.00 C ATOM 288 CE1 TYR 1 15 9.616 8.848 16.820 1.00 0.00 C ATOM 289 CE2 TYR 1 15 8.608 9.199 18.960 1.00 0.00 C ATOM 290 CZ TYR 1 15 9.147 9.702 17.795 1.00 0.00 C ATOM 291 OH TYR 1 15 9.217 11.063 17.606 1.00 0.00 O ATOM 0 H TYR 1 15 6.859 5.200 19.806 1.00 0.00 H new ATOM 0 HA TYR 1 15 7.310 5.292 16.935 1.00 0.00 H new ATOM 0 HB2 TYR 1 15 9.034 5.233 19.443 1.00 0.00 H new ATOM 0 HB3 TYR 1 15 9.761 4.980 17.869 1.00 0.00 H new ATOM 0 HD1 TYR 1 15 9.915 6.817 16.247 1.00 0.00 H new ATOM 0 HD2 TYR 1 15 8.114 7.440 20.060 1.00 0.00 H new ATOM 0 HE1 TYR 1 15 10.037 9.245 15.908 1.00 0.00 H new ATOM 0 HE2 TYR 1 15 8.242 9.870 19.723 1.00 0.00 H new ATOM 0 HH TYR 1 15 8.843 11.521 18.387 1.00 0.00 H new ATOM 301 N PHE 1 16 7.227 2.464 18.420 1.00 0.00 N ATOM 302 CA PHE 1 16 7.373 1.013 18.265 1.00 0.00 C ATOM 303 C PHE 1 16 6.507 0.439 17.128 1.00 0.00 C ATOM 304 O PHE 1 16 6.592 -0.755 16.822 1.00 0.00 O ATOM 305 CB PHE 1 16 7.033 0.307 19.583 1.00 0.00 C ATOM 306 CG PHE 1 16 8.153 0.331 20.584 1.00 0.00 C ATOM 307 CD1 PHE 1 16 8.325 1.415 21.432 1.00 0.00 C ATOM 308 CD2 PHE 1 16 9.039 -0.731 20.671 1.00 0.00 C ATOM 309 CE1 PHE 1 16 9.360 1.438 22.346 1.00 0.00 C ATOM 310 CE2 PHE 1 16 10.076 -0.713 21.586 1.00 0.00 C ATOM 311 CZ PHE 1 16 10.236 0.373 22.424 1.00 0.00 C ATOM 0 H PHE 1 16 6.630 2.742 19.199 1.00 0.00 H new ATOM 0 HA PHE 1 16 8.414 0.829 17.998 1.00 0.00 H new ATOM 0 HB2 PHE 1 16 6.154 0.779 20.022 1.00 0.00 H new ATOM 0 HB3 PHE 1 16 6.767 -0.729 19.373 1.00 0.00 H new ATOM 0 HD1 PHE 1 16 7.642 2.250 21.377 1.00 0.00 H new ATOM 0 HD2 PHE 1 16 8.918 -1.582 20.017 1.00 0.00 H new ATOM 0 HE1 PHE 1 16 9.484 2.289 23.000 1.00 0.00 H new ATOM 0 HE2 PHE 1 16 10.760 -1.547 21.645 1.00 0.00 H new ATOM 0 HZ PHE 1 16 11.045 0.389 23.139 1.00 0.00 H new ATOM 321 N GLN 1 17 5.705 1.303 16.486 1.00 0.00 N ATOM 322 CA GLN 1 17 4.822 0.886 15.386 1.00 0.00 C ATOM 323 C GLN 1 17 5.561 0.897 14.046 1.00 0.00 C ATOM 324 O GLN 1 17 6.249 1.868 13.718 1.00 0.00 O ATOM 325 CB GLN 1 17 3.590 1.797 15.311 1.00 0.00 C ATOM 326 CG GLN 1 17 2.580 1.575 16.438 1.00 0.00 C ATOM 327 CD GLN 1 17 1.699 0.344 16.244 1.00 0.00 C ATOM 328 OE1 GLN 1 17 2.111 -0.656 15.650 1.00 0.00 O ATOM 329 NE2 GLN 1 17 0.473 0.414 16.750 1.00 0.00 N ATOM 0 H GLN 1 17 5.650 2.296 16.711 1.00 0.00 H new ATOM 0 HA GLN 1 17 4.499 -0.135 15.590 1.00 0.00 H new ATOM 0 HB2 GLN 1 17 3.918 2.836 15.331 1.00 0.00 H new ATOM 0 HB3 GLN 1 17 3.092 1.638 14.355 1.00 0.00 H new ATOM 0 HG2 GLN 1 17 3.118 1.480 17.381 1.00 0.00 H new ATOM 0 HG3 GLN 1 17 1.944 2.456 16.521 1.00 0.00 H new ATOM 0 HE21 GLN 1 17 0.169 1.258 17.235 1.00 0.00 H new ATOM 0 HE22 GLN 1 17 -0.164 -0.377 16.654 1.00 0.00 H new ATOM 338 N SER 1 18 5.410 -0.195 13.286 1.00 0.00 N ATOM 339 CA SER 1 18 6.056 -0.343 11.977 1.00 0.00 C ATOM 340 C SER 1 18 5.180 0.212 10.854 1.00 0.00 C ATOM 341 O SER 1 18 3.949 0.137 10.924 1.00 0.00 O ATOM 342 CB SER 1 18 6.371 -1.816 11.709 1.00 0.00 C ATOM 343 OG SER 1 18 7.236 -2.341 12.702 1.00 0.00 O ATOM 0 H SER 1 18 4.840 -0.996 13.559 1.00 0.00 H new ATOM 0 HA SER 1 18 6.983 0.230 11.997 1.00 0.00 H new ATOM 0 HB2 SER 1 18 5.445 -2.391 11.687 1.00 0.00 H new ATOM 0 HB3 SER 1 18 6.834 -1.920 10.727 1.00 0.00 H new ATOM 0 HG SER 1 18 7.421 -3.284 12.509 1.00 0.00 H new ATOM 349 N ASN 1 19 5.831 0.765 9.825 1.00 0.00 N ATOM 350 CA ASN 1 19 5.134 1.339 8.672 1.00 0.00 C ATOM 351 C ASN 1 19 5.694 0.780 7.359 1.00 0.00 C ATOM 352 O ASN 1 19 4.932 0.409 6.461 1.00 0.00 O ATOM 353 CB ASN 1 19 5.253 2.869 8.689 1.00 0.00 C ATOM 354 CG ASN 1 19 4.064 3.575 8.117 1.00 0.00 C ATOM 355 OD1 ASN 1 19 3.417 3.116 7.171 1.00 0.00 O ATOM 356 ND2 ASN 1 19 3.775 4.711 8.708 1.00 0.00 N ATOM 0 H ASN 1 19 6.848 0.827 9.769 1.00 0.00 H new ATOM 0 HA ASN 1 19 4.081 1.064 8.739 1.00 0.00 H new ATOM 0 HB2 ASN 1 19 5.401 3.201 9.717 1.00 0.00 H new ATOM 0 HB3 ASN 1 19 6.141 3.161 8.129 1.00 0.00 H new ATOM 0 HD21 ASN 1 19 2.979 5.264 8.389 1.00 0.00 H new ATOM 0 HD22 ASN 1 19 4.346 5.041 9.486 1.00 0.00 H new ATOM 363 N ALA 1 20 7.033 0.709 7.267 1.00 0.00 N ATOM 364 CA ALA 1 20 7.727 0.205 6.075 1.00 0.00 C ATOM 365 C ALA 1 20 7.733 -1.324 6.030 1.00 0.00 C ATOM 366 O ALA 1 20 7.670 -1.981 7.074 1.00 0.00 O ATOM 367 CB ALA 1 20 9.152 0.738 6.039 1.00 0.00 C ATOM 0 H ALA 1 20 7.661 0.999 8.016 1.00 0.00 H new ATOM 0 HA ALA 1 20 7.186 0.559 5.197 1.00 0.00 H new ATOM 0 HB1 ALA 1 20 9.660 0.359 5.152 1.00 0.00 H new ATOM 0 HB2 ALA 1 20 9.132 1.827 6.009 1.00 0.00 H new ATOM 0 HB3 ALA 1 20 9.686 0.409 6.931 1.00 0.00 H new ATOM 373 N GLY 1 21 7.800 -1.875 4.814 1.00 0.00 N ATOM 374 CA GLY 1 21 7.810 -3.321 4.634 1.00 0.00 C ATOM 375 C GLY 1 21 6.617 -3.835 3.845 1.00 0.00 C ATOM 376 O GLY 1 21 6.514 -5.040 3.594 1.00 0.00 O ATOM 0 H GLY 1 21 7.848 -1.340 3.947 1.00 0.00 H new ATOM 0 HA2 GLY 1 21 8.728 -3.610 4.122 1.00 0.00 H new ATOM 0 HA3 GLY 1 21 7.825 -3.802 5.612 1.00 0.00 H new ATOM 380 N LYS 1 22 5.711 -2.922 3.460 1.00 0.00 N ATOM 381 CA LYS 1 22 4.522 -3.271 2.689 1.00 0.00 C ATOM 382 C LYS 1 22 4.818 -3.422 1.208 1.00 0.00 C ATOM 383 O LYS 1 22 5.716 -2.768 0.669 1.00 0.00 O ATOM 384 CB LYS 1 22 3.448 -2.206 2.870 1.00 0.00 C ATOM 385 CG LYS 1 22 2.552 -2.460 4.057 1.00 0.00 C ATOM 386 CD LYS 1 22 2.038 -1.158 4.635 1.00 0.00 C ATOM 387 CE LYS 1 22 1.126 -1.393 5.830 1.00 0.00 C ATOM 388 NZ LYS 1 22 0.715 -0.116 6.476 1.00 0.00 N ATOM 0 H LYS 1 22 5.787 -1.928 3.676 1.00 0.00 H new ATOM 0 HA LYS 1 22 4.173 -4.232 3.066 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 3.926 -1.233 2.986 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 2.839 -2.157 1.967 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 1.712 -3.086 3.756 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 3.101 -3.010 4.821 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 2.881 -0.536 4.937 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 1.496 -0.608 3.866 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 0.239 -1.938 5.508 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 1.638 -2.020 6.560 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 0.095 -0.320 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 1.559 0.393 6.807 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 0.203 0.472 5.788 1.00 0.00 H new ATOM 402 N MET 1 23 4.041 -4.293 0.575 1.00 0.00 N ATOM 403 CA MET 1 23 4.147 -4.559 -0.834 1.00 0.00 C ATOM 404 C MET 1 23 2.826 -4.245 -1.526 1.00 0.00 C ATOM 405 O MET 1 23 1.773 -4.766 -1.165 1.00 0.00 O ATOM 406 CB MET 1 23 4.545 -6.012 -1.061 1.00 0.00 C ATOM 407 CG MET 1 23 6.041 -6.207 -1.274 1.00 0.00 C ATOM 408 SD MET 1 23 6.428 -7.691 -2.219 1.00 0.00 S ATOM 409 CE MET 1 23 6.518 -7.016 -3.877 1.00 0.00 C ATOM 0 H MET 1 23 3.314 -4.835 1.042 1.00 0.00 H new ATOM 0 HA MET 1 23 4.919 -3.920 -1.262 1.00 0.00 H new ATOM 0 HB2 MET 1 23 4.228 -6.605 -0.203 1.00 0.00 H new ATOM 0 HB3 MET 1 23 4.009 -6.396 -1.929 1.00 0.00 H new ATOM 0 HG2 MET 1 23 6.445 -5.337 -1.792 1.00 0.00 H new ATOM 0 HG3 MET 1 23 6.537 -6.260 -0.305 1.00 0.00 H new ATOM 0 HE1 MET 1 23 7.224 -7.598 -4.469 1.00 0.00 H new ATOM 0 HE2 MET 1 23 5.533 -7.059 -4.341 1.00 0.00 H new ATOM 0 HE3 MET 1 23 6.852 -5.979 -3.830 1.00 0.00 H new ATOM 419 N PHE 1 24 2.945 -3.435 -2.563 1.00 0.00 N ATOM 420 CA PHE 1 24 1.843 -2.949 -3.378 1.00 0.00 C ATOM 421 C PHE 1 24 1.637 -3.908 -4.554 1.00 0.00 C ATOM 422 O PHE 1 24 2.440 -3.953 -5.496 1.00 0.00 O ATOM 423 CB PHE 1 24 2.190 -1.519 -3.868 1.00 0.00 C ATOM 424 CG PHE 1 24 1.148 -0.793 -4.708 1.00 0.00 C ATOM 425 CD1 PHE 1 24 -0.207 -1.112 -4.657 1.00 0.00 C ATOM 426 CD2 PHE 1 24 1.547 0.240 -5.542 1.00 0.00 C ATOM 427 CE1 PHE 1 24 -1.124 -0.418 -5.419 1.00 0.00 C ATOM 428 CE2 PHE 1 24 0.631 0.933 -6.307 1.00 0.00 C ATOM 429 CZ PHE 1 24 -0.706 0.604 -6.246 1.00 0.00 C ATOM 0 H PHE 1 24 3.850 -3.082 -2.874 1.00 0.00 H new ATOM 0 HA PHE 1 24 0.916 -2.907 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE 1 24 2.403 -0.906 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE 1 24 3.110 -1.576 -4.449 1.00 0.00 H new ATOM 0 HD1 PHE 1 24 -0.543 -1.912 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE 1 24 2.592 0.507 -5.594 1.00 0.00 H new ATOM 0 HE1 PHE 1 24 -2.172 -0.675 -5.368 1.00 0.00 H new ATOM 0 HE2 PHE 1 24 0.962 1.733 -6.953 1.00 0.00 H new ATOM 0 HZ PHE 1 24 -1.425 1.145 -6.844 1.00 0.00 H new ATOM 439 N ILE 1 25 0.572 -4.690 -4.459 1.00 0.00 N ATOM 440 CA ILE 1 25 0.221 -5.681 -5.459 1.00 0.00 C ATOM 441 C ILE 1 25 -0.807 -5.113 -6.437 1.00 0.00 C ATOM 442 O ILE 1 25 -1.956 -4.857 -6.072 1.00 0.00 O ATOM 443 CB ILE 1 25 -0.334 -6.954 -4.790 1.00 0.00 C ATOM 444 CG1 ILE 1 25 0.213 -7.132 -3.342 1.00 0.00 C ATOM 445 CG2 ILE 1 25 -0.076 -8.190 -5.660 1.00 0.00 C ATOM 446 CD1 ILE 1 25 1.697 -7.473 -3.212 1.00 0.00 C ATOM 0 H ILE 1 25 -0.079 -4.652 -3.675 1.00 0.00 H new ATOM 0 HA ILE 1 25 1.124 -5.942 -6.011 1.00 0.00 H new ATOM 0 HB ILE 1 25 -1.414 -6.838 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE 1 25 0.025 -6.211 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE 1 25 -0.362 -7.919 -2.854 1.00 0.00 H new ATOM 0 HG21 ILE 1 25 -0.478 -9.074 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE 1 25 -0.564 -8.063 -6.627 1.00 0.00 H new ATOM 0 HG23 ILE 1 25 0.997 -8.313 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE 1 25 1.957 -7.571 -2.158 1.00 0.00 H new ATOM 0 HD12 ILE 1 25 1.901 -8.413 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE 1 25 2.294 -6.678 -3.660 1.00 0.00 H new ATOM 458 N GLY 1 26 -0.363 -4.916 -7.671 1.00 0.00 N ATOM 459 CA GLY 1 26 -1.207 -4.356 -8.703 1.00 0.00 C ATOM 460 C GLY 1 26 -1.745 -5.344 -9.709 1.00 0.00 C ATOM 461 O GLY 1 26 -1.229 -6.448 -9.852 1.00 0.00 O ATOM 0 H GLY 1 26 0.584 -5.139 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 -2.049 -3.854 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 -0.641 -3.592 -9.237 1.00 0.00 H new ATOM 465 N GLY 1 27 -2.834 -4.927 -10.367 1.00 0.00 N ATOM 466 CA GLY 1 27 -3.480 -5.712 -11.420 1.00 0.00 C ATOM 467 C GLY 1 27 -4.199 -6.969 -10.949 1.00 0.00 C ATOM 468 O GLY 1 27 -4.373 -7.897 -11.742 1.00 0.00 O ATOM 0 H GLY 1 27 -3.291 -4.034 -10.182 1.00 0.00 H new ATOM 0 HA2 GLY 1 27 -4.198 -5.075 -11.936 1.00 0.00 H new ATOM 0 HA3 GLY 1 27 -2.725 -5.998 -12.152 1.00 0.00 H new ATOM 472 N LEU 1 28 -4.654 -6.994 -9.681 1.00 0.00 N ATOM 473 CA LEU 1 28 -5.351 -8.152 -9.111 1.00 0.00 C ATOM 474 C LEU 1 28 -6.611 -8.501 -9.928 1.00 0.00 C ATOM 475 O LEU 1 28 -7.029 -7.720 -10.791 1.00 0.00 O ATOM 476 CB LEU 1 28 -5.738 -7.875 -7.645 1.00 0.00 C ATOM 477 CG LEU 1 28 -4.588 -7.477 -6.702 1.00 0.00 C ATOM 478 CD1 LEU 1 28 -5.143 -6.776 -5.473 1.00 0.00 C ATOM 479 CD2 LEU 1 28 -3.776 -8.695 -6.274 1.00 0.00 C ATOM 0 H LEU 1 28 -4.547 -6.215 -9.031 1.00 0.00 H new ATOM 0 HA LEU 1 28 -4.671 -9.003 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU 1 28 -6.483 -7.079 -7.632 1.00 0.00 H new ATOM 0 HB3 LEU 1 28 -6.218 -8.767 -7.243 1.00 0.00 H new ATOM 0 HG LEU 1 28 -3.929 -6.799 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU 1 28 -4.323 -6.498 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU 1 28 -5.683 -5.880 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU 1 28 -5.822 -7.447 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU 1 28 -2.972 -8.381 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU 1 28 -4.424 -9.399 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU 1 28 -3.351 -9.177 -7.155 1.00 0.00 H new ATOM 491 N SER 1 29 -7.226 -9.647 -9.630 1.00 0.00 N ATOM 492 CA SER 1 29 -8.393 -10.107 -10.337 1.00 0.00 C ATOM 493 C SER 1 29 -9.659 -9.787 -9.546 1.00 0.00 C ATOM 494 O SER 1 29 -9.607 -9.328 -8.400 1.00 0.00 O ATOM 495 CB SER 1 29 -8.272 -11.615 -10.592 1.00 0.00 C ATOM 496 OG SER 1 29 -9.114 -12.024 -11.654 1.00 0.00 O ATOM 0 H SER 1 29 -6.917 -10.274 -8.887 1.00 0.00 H new ATOM 0 HA SER 1 29 -8.461 -9.591 -11.295 1.00 0.00 H new ATOM 0 HB2 SER 1 29 -7.238 -11.865 -10.828 1.00 0.00 H new ATOM 0 HB3 SER 1 29 -8.533 -12.162 -9.686 1.00 0.00 H new ATOM 0 HG SER 1 29 -9.644 -12.799 -11.372 1.00 0.00 H new ATOM 502 N TRP 1 30 -10.780 -10.074 -10.180 1.00 0.00 N ATOM 503 CA TRP 1 30 -12.118 -9.854 -9.647 1.00 0.00 C ATOM 504 C TRP 1 30 -12.443 -10.841 -8.515 1.00 0.00 C ATOM 505 O TRP 1 30 -13.375 -10.632 -7.733 1.00 0.00 O ATOM 506 CB TRP 1 30 -13.129 -10.020 -10.803 1.00 0.00 C ATOM 507 CG TRP 1 30 -13.163 -11.405 -11.425 1.00 0.00 C ATOM 508 CD1 TRP 1 30 -12.090 -12.133 -11.857 1.00 0.00 C ATOM 509 CD2 TRP 1 30 -14.319 -12.222 -11.683 1.00 0.00 C ATOM 510 NE1 TRP 1 30 -12.495 -13.343 -12.335 1.00 0.00 N ATOM 511 CE2 TRP 1 30 -13.853 -13.422 -12.252 1.00 0.00 C ATOM 512 CE3 TRP 1 30 -15.696 -12.066 -11.488 1.00 0.00 C ATOM 513 CZ2 TRP 1 30 -14.701 -14.453 -12.625 1.00 0.00 C ATOM 514 CZ3 TRP 1 30 -16.542 -13.094 -11.863 1.00 0.00 C ATOM 515 CH2 TRP 1 30 -16.041 -14.275 -12.425 1.00 0.00 C ATOM 0 H TRP 1 30 -10.788 -10.482 -11.115 1.00 0.00 H new ATOM 0 HA TRP 1 30 -12.176 -8.850 -9.226 1.00 0.00 H new ATOM 0 HB2 TRP 1 30 -14.125 -9.779 -10.433 1.00 0.00 H new ATOM 0 HB3 TRP 1 30 -12.893 -9.293 -11.581 1.00 0.00 H new ATOM 0 HD1 TRP 1 30 -11.064 -11.796 -11.824 1.00 0.00 H new ATOM 0 HE1 TRP 1 30 -11.881 -14.072 -12.697 1.00 0.00 H new ATOM 0 HE3 TRP 1 30 -16.091 -11.160 -11.053 1.00 0.00 H new ATOM 0 HZ2 TRP 1 30 -14.316 -15.364 -13.058 1.00 0.00 H new ATOM 0 HZ3 TRP 1 30 -17.607 -12.984 -11.720 1.00 0.00 H new ATOM 0 HH2 TRP 1 30 -16.727 -15.060 -12.706 1.00 0.00 H new ATOM 526 N GLN 1 31 -11.644 -11.908 -8.459 1.00 0.00 N ATOM 527 CA GLN 1 31 -11.798 -12.975 -7.480 1.00 0.00 C ATOM 528 C GLN 1 31 -10.839 -12.824 -6.309 1.00 0.00 C ATOM 529 O GLN 1 31 -11.107 -13.320 -5.210 1.00 0.00 O ATOM 530 CB GLN 1 31 -11.535 -14.309 -8.169 1.00 0.00 C ATOM 531 CG GLN 1 31 -12.604 -14.710 -9.173 1.00 0.00 C ATOM 532 CD GLN 1 31 -12.378 -16.097 -9.733 1.00 0.00 C ATOM 533 OE1 GLN 1 31 -11.757 -16.266 -10.783 1.00 0.00 O ATOM 534 NE2 GLN 1 31 -12.871 -17.099 -9.021 1.00 0.00 N ATOM 0 H GLN 1 31 -10.865 -12.053 -9.101 1.00 0.00 H new ATOM 0 HA GLN 1 31 -12.812 -12.927 -7.084 1.00 0.00 H new ATOM 0 HB2 GLN 1 31 -10.573 -14.259 -8.679 1.00 0.00 H new ATOM 0 HB3 GLN 1 31 -11.453 -15.088 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN 1 31 -13.582 -14.670 -8.694 1.00 0.00 H new ATOM 0 HG3 GLN 1 31 -12.620 -13.989 -9.990 1.00 0.00 H new ATOM 0 HE21 GLN 1 31 -13.379 -16.909 -8.157 1.00 0.00 H new ATOM 0 HE22 GLN 1 31 -12.743 -18.060 -9.337 1.00 0.00 H new ATOM 543 N THR 1 32 -9.728 -12.130 -6.555 1.00 0.00 N ATOM 544 CA THR 1 32 -8.690 -11.908 -5.549 1.00 0.00 C ATOM 545 C THR 1 32 -9.176 -11.055 -4.359 1.00 0.00 C ATOM 546 O THR 1 32 -9.490 -9.870 -4.504 1.00 0.00 O ATOM 547 CB THR 1 32 -7.466 -11.252 -6.196 1.00 0.00 C ATOM 548 OG1 THR 1 32 -7.335 -11.678 -7.560 1.00 0.00 O ATOM 549 CG2 THR 1 32 -6.181 -11.581 -5.442 1.00 0.00 C ATOM 0 H THR 1 32 -9.522 -11.705 -7.459 1.00 0.00 H new ATOM 0 HA THR 1 32 -8.424 -12.886 -5.149 1.00 0.00 H new ATOM 0 HB THR 1 32 -7.620 -10.174 -6.157 1.00 0.00 H new ATOM 0 HG1 THR 1 32 -7.085 -12.625 -7.584 1.00 0.00 H new ATOM 0 HG21 THR 1 32 -5.337 -11.097 -5.933 1.00 0.00 H new ATOM 0 HG22 THR 1 32 -6.259 -11.221 -4.416 1.00 0.00 H new ATOM 0 HG23 THR 1 32 -6.028 -12.660 -5.438 1.00 0.00 H new ATOM 557 N SER 1 33 -9.222 -11.705 -3.193 1.00 0.00 N ATOM 558 CA SER 1 33 -9.631 -11.090 -1.926 1.00 0.00 C ATOM 559 C SER 1 33 -8.405 -10.858 -1.037 1.00 0.00 C ATOM 560 O SER 1 33 -7.374 -11.500 -1.263 1.00 0.00 O ATOM 561 CB SER 1 33 -10.631 -12.005 -1.211 1.00 0.00 C ATOM 562 OG SER 1 33 -11.864 -12.053 -1.907 1.00 0.00 O ATOM 0 H SER 1 33 -8.972 -12.690 -3.101 1.00 0.00 H new ATOM 0 HA SER 1 33 -10.105 -10.130 -2.129 1.00 0.00 H new ATOM 0 HB2 SER 1 33 -10.216 -13.010 -1.130 1.00 0.00 H new ATOM 0 HB3 SER 1 33 -10.797 -11.645 -0.195 1.00 0.00 H new ATOM 0 HG SER 1 33 -12.485 -12.644 -1.432 1.00 0.00 H new ATOM 568 N PRO 1 34 -8.460 -9.939 -0.012 1.00 0.00 N ATOM 569 CA PRO 1 34 -7.311 -9.702 0.893 1.00 0.00 C ATOM 570 C PRO 1 34 -6.845 -10.976 1.594 1.00 0.00 C ATOM 571 O PRO 1 34 -5.678 -11.100 1.980 1.00 0.00 O ATOM 572 CB PRO 1 34 -7.835 -8.671 1.907 1.00 0.00 C ATOM 573 CG PRO 1 34 -9.321 -8.698 1.766 1.00 0.00 C ATOM 574 CD PRO 1 34 -9.593 -9.046 0.332 1.00 0.00 C ATOM 0 HA PRO 1 34 -6.436 -9.352 0.345 1.00 0.00 H new ATOM 0 HB2 PRO 1 34 -7.532 -8.928 2.922 1.00 0.00 H new ATOM 0 HB3 PRO 1 34 -7.438 -7.677 1.698 1.00 0.00 H new ATOM 0 HG2 PRO 1 34 -9.763 -9.434 2.437 1.00 0.00 H new ATOM 0 HG3 PRO 1 34 -9.755 -7.732 2.022 1.00 0.00 H new ATOM 0 HD2 PRO 1 34 -10.553 -9.548 0.213 1.00 0.00 H new ATOM 0 HD3 PRO 1 34 -9.616 -8.159 -0.302 1.00 0.00 H new ATOM 582 N ASP 1 35 -7.782 -11.914 1.738 1.00 0.00 N ATOM 583 CA ASP 1 35 -7.518 -13.220 2.340 1.00 0.00 C ATOM 584 C ASP 1 35 -6.870 -14.139 1.320 1.00 0.00 C ATOM 585 O ASP 1 35 -6.055 -14.998 1.658 1.00 0.00 O ATOM 586 CB ASP 1 35 -8.797 -13.836 2.846 1.00 0.00 C ATOM 587 CG ASP 1 35 -8.995 -13.639 4.335 1.00 0.00 C ATOM 588 OD1 ASP 1 35 -8.492 -14.474 5.116 1.00 0.00 O ATOM 589 OD2 ASP 1 35 -9.651 -12.649 4.721 1.00 0.00 O ATOM 0 H ASP 1 35 -8.749 -11.788 1.439 1.00 0.00 H new ATOM 0 HA ASP 1 35 -6.840 -13.084 3.182 1.00 0.00 H new ATOM 0 HB2 ASP 1 35 -9.641 -13.400 2.311 1.00 0.00 H new ATOM 0 HB3 ASP 1 35 -8.794 -14.903 2.623 1.00 0.00 H new ATOM 594 N SER 1 36 -7.272 -13.935 0.060 1.00 0.00 N ATOM 595 CA SER 1 36 -6.751 -14.685 -1.083 1.00 0.00 C ATOM 596 C SER 1 36 -5.310 -14.263 -1.346 1.00 0.00 C ATOM 597 O SER 1 36 -4.471 -15.085 -1.719 1.00 0.00 O ATOM 598 CB SER 1 36 -7.611 -14.436 -2.327 1.00 0.00 C ATOM 599 OG SER 1 36 -7.257 -15.315 -3.382 1.00 0.00 O ATOM 0 H SER 1 36 -7.973 -13.239 -0.194 1.00 0.00 H new ATOM 0 HA SER 1 36 -6.782 -15.751 -0.856 1.00 0.00 H new ATOM 0 HB2 SER 1 36 -8.663 -14.570 -2.077 1.00 0.00 H new ATOM 0 HB3 SER 1 36 -7.490 -13.404 -2.655 1.00 0.00 H new ATOM 0 HG SER 1 36 -7.823 -15.135 -4.162 1.00 0.00 H new ATOM 605 N LEU 1 37 -5.042 -12.961 -1.132 1.00 0.00 N ATOM 606 CA LEU 1 37 -3.744 -12.378 -1.290 1.00 0.00 C ATOM 607 C LEU 1 37 -2.830 -12.812 -0.147 1.00 0.00 C ATOM 608 O LEU 1 37 -1.643 -13.071 -0.347 1.00 0.00 O ATOM 609 CB LEU 1 37 -3.954 -10.877 -1.280 1.00 0.00 C ATOM 610 CG LEU 1 37 -3.722 -10.152 -2.601 1.00 0.00 C ATOM 611 CD1 LEU 1 37 -4.275 -8.747 -2.517 1.00 0.00 C ATOM 612 CD2 LEU 1 37 -2.252 -10.101 -2.971 1.00 0.00 C ATOM 0 H LEU 1 37 -5.753 -12.291 -0.839 1.00 0.00 H new ATOM 0 HA LEU 1 37 -3.266 -12.698 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU 1 37 -4.975 -10.677 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU 1 37 -3.291 -10.444 -0.531 1.00 0.00 H new ATOM 0 HG LEU 1 37 -4.240 -10.712 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU 1 37 -4.107 -8.233 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU 1 37 -5.345 -8.789 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU 1 37 -3.773 -8.206 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU 1 37 -2.133 -9.576 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU 1 37 -1.699 -9.575 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU 1 37 -1.866 -11.116 -3.068 1.00 0.00 H new ATOM 624 N ARG 1 38 -3.424 -12.896 1.055 1.00 0.00 N ATOM 625 CA ARG 1 38 -2.739 -13.331 2.259 1.00 0.00 C ATOM 626 C ARG 1 38 -2.419 -14.816 2.126 1.00 0.00 C ATOM 627 O ARG 1 38 -1.311 -15.246 2.429 1.00 0.00 O ATOM 628 CB ARG 1 38 -3.615 -13.077 3.493 1.00 0.00 C ATOM 629 CG ARG 1 38 -2.828 -12.719 4.750 1.00 0.00 C ATOM 630 CD ARG 1 38 -3.714 -12.707 5.990 1.00 0.00 C ATOM 631 NE ARG 1 38 -4.649 -11.572 6.001 1.00 0.00 N ATOM 632 CZ ARG 1 38 -5.394 -11.204 7.054 1.00 0.00 C ATOM 633 NH1 ARG 1 38 -5.336 -11.867 8.208 1.00 0.00 N ATOM 634 NH2 ARG 1 38 -6.207 -10.162 6.947 1.00 0.00 N ATOM 0 H ARG 1 38 -4.404 -12.659 1.208 1.00 0.00 H new ATOM 0 HA ARG 1 38 -1.815 -12.767 2.384 1.00 0.00 H new ATOM 0 HB2 ARG 1 38 -4.312 -12.269 3.271 1.00 0.00 H new ATOM 0 HB3 ARG 1 38 -4.212 -13.967 3.692 1.00 0.00 H new ATOM 0 HG2 ARG 1 38 -2.019 -13.436 4.889 1.00 0.00 H new ATOM 0 HG3 ARG 1 38 -2.367 -11.739 4.623 1.00 0.00 H new ATOM 0 HD2 ARG 1 38 -4.278 -13.639 6.039 1.00 0.00 H new ATOM 0 HD3 ARG 1 38 -3.087 -12.666 6.881 1.00 0.00 H new ATOM 0 HE ARG 1 38 -4.738 -11.024 5.145 1.00 0.00 H new ATOM 0 HH11 ARG 1 38 -4.716 -12.672 8.303 1.00 0.00 H new ATOM 0 HH12 ARG 1 38 -5.911 -11.570 8.996 1.00 0.00 H new ATOM 0 HH21 ARG 1 38 -6.263 -9.647 6.069 1.00 0.00 H new ATOM 0 HH22 ARG 1 38 -6.777 -9.876 7.743 1.00 0.00 H new ATOM 648 N ASP 1 39 -3.413 -15.583 1.631 1.00 0.00 N ATOM 649 CA ASP 1 39 -3.267 -17.018 1.400 1.00 0.00 C ATOM 650 C ASP 1 39 -2.255 -17.318 0.283 1.00 0.00 C ATOM 651 O ASP 1 39 -1.441 -18.234 0.414 1.00 0.00 O ATOM 652 CB ASP 1 39 -4.620 -17.637 1.047 1.00 0.00 C ATOM 653 CG ASP 1 39 -5.350 -18.168 2.265 1.00 0.00 C ATOM 654 OD1 ASP 1 39 -6.059 -17.379 2.923 1.00 0.00 O ATOM 655 OD2 ASP 1 39 -5.211 -19.374 2.559 1.00 0.00 O ATOM 0 H ASP 1 39 -4.333 -15.217 1.384 1.00 0.00 H new ATOM 0 HA ASP 1 39 -2.890 -17.459 2.323 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 -5.240 -16.889 0.553 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 -4.470 -18.448 0.335 1.00 0.00 H new ATOM 660 N TYR 1 40 -2.286 -16.504 -0.795 1.00 0.00 N ATOM 661 CA TYR 1 40 -1.397 -16.680 -1.942 1.00 0.00 C ATOM 662 C TYR 1 40 0.050 -16.290 -1.600 1.00 0.00 C ATOM 663 O TYR 1 40 0.978 -17.065 -1.824 1.00 0.00 O ATOM 664 CB TYR 1 40 -1.909 -15.849 -3.131 1.00 0.00 C ATOM 665 CG TYR 1 40 -1.516 -16.404 -4.484 1.00 0.00 C ATOM 666 CD1 TYR 1 40 -0.449 -15.868 -5.193 1.00 0.00 C ATOM 667 CD2 TYR 1 40 -2.207 -17.471 -5.045 1.00 0.00 C ATOM 668 CE1 TYR 1 40 -0.083 -16.379 -6.424 1.00 0.00 C ATOM 669 CE2 TYR 1 40 -1.847 -17.987 -6.275 1.00 0.00 C ATOM 670 CZ TYR 1 40 -0.785 -17.437 -6.961 1.00 0.00 C ATOM 671 OH TYR 1 40 -0.424 -17.947 -8.186 1.00 0.00 O ATOM 0 H TYR 1 40 -2.926 -15.715 -0.885 1.00 0.00 H new ATOM 0 HA TYR 1 40 -1.397 -17.736 -2.212 1.00 0.00 H new ATOM 0 HB2 TYR 1 40 -2.996 -15.787 -3.077 1.00 0.00 H new ATOM 0 HB3 TYR 1 40 -1.527 -14.832 -3.042 1.00 0.00 H new ATOM 0 HD1 TYR 1 40 0.103 -15.039 -4.776 1.00 0.00 H new ATOM 0 HD2 TYR 1 40 -3.039 -17.904 -4.511 1.00 0.00 H new ATOM 0 HE1 TYR 1 40 0.749 -15.951 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR 1 40 -2.395 -18.817 -6.697 1.00 0.00 H new ATOM 0 HH TYR 1 40 -0.373 -17.220 -8.841 1.00 0.00 H new ATOM 681 N PHE 1 41 0.215 -15.088 -1.033 1.00 0.00 N ATOM 682 CA PHE 1 41 1.513 -14.543 -0.667 1.00 0.00 C ATOM 683 C PHE 1 41 2.155 -15.240 0.543 1.00 0.00 C ATOM 684 O PHE 1 41 3.381 -15.234 0.678 1.00 0.00 O ATOM 685 CB PHE 1 41 1.368 -13.048 -0.483 1.00 0.00 C ATOM 686 CG PHE 1 41 1.459 -12.310 -1.797 1.00 0.00 C ATOM 687 CD1 PHE 1 41 0.399 -12.338 -2.696 1.00 0.00 C ATOM 688 CD2 PHE 1 41 2.612 -11.628 -2.158 1.00 0.00 C ATOM 689 CE1 PHE 1 41 0.494 -11.703 -3.921 1.00 0.00 C ATOM 690 CE2 PHE 1 41 2.705 -10.986 -3.377 1.00 0.00 C ATOM 691 CZ PHE 1 41 1.646 -11.025 -4.260 1.00 0.00 C ATOM 0 H PHE 1 41 -0.563 -14.465 -0.816 1.00 0.00 H new ATOM 0 HA PHE 1 41 2.216 -14.740 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE 1 41 0.410 -12.831 -0.010 1.00 0.00 H new ATOM 0 HB3 PHE 1 41 2.145 -12.688 0.191 1.00 0.00 H new ATOM 0 HD1 PHE 1 41 -0.509 -12.861 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE 1 41 3.449 -11.599 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE 1 41 -0.335 -11.738 -4.613 1.00 0.00 H new ATOM 0 HE2 PHE 1 41 3.607 -10.453 -3.639 1.00 0.00 H new ATOM 0 HZ PHE 1 41 1.719 -10.526 -5.215 1.00 0.00 H new ATOM 701 N SER 1 42 1.319 -15.842 1.430 1.00 0.00 N ATOM 702 CA SER 1 42 1.813 -16.566 2.630 1.00 0.00 C ATOM 703 C SER 1 42 2.639 -17.759 2.202 1.00 0.00 C ATOM 704 O SER 1 42 3.371 -18.373 2.984 1.00 0.00 O ATOM 705 CB SER 1 42 0.661 -17.039 3.521 1.00 0.00 C ATOM 706 OG SER 1 42 0.253 -16.020 4.417 1.00 0.00 O ATOM 0 H SER 1 42 0.303 -15.840 1.336 1.00 0.00 H new ATOM 0 HA SER 1 42 2.425 -15.873 3.208 1.00 0.00 H new ATOM 0 HB2 SER 1 42 -0.183 -17.339 2.900 1.00 0.00 H new ATOM 0 HB3 SER 1 42 0.971 -17.919 4.084 1.00 0.00 H new ATOM 0 HG SER 1 42 -0.448 -15.478 3.999 1.00 0.00 H new ATOM 712 N LYS 1 43 2.484 -18.043 0.924 1.00 0.00 N ATOM 713 CA LYS 1 43 3.150 -19.133 0.243 1.00 0.00 C ATOM 714 C LYS 1 43 4.591 -18.764 -0.142 1.00 0.00 C ATOM 715 O LYS 1 43 5.381 -19.631 -0.526 1.00 0.00 O ATOM 716 CB LYS 1 43 2.338 -19.508 -0.991 1.00 0.00 C ATOM 717 CG LYS 1 43 1.179 -20.457 -0.703 1.00 0.00 C ATOM 718 CD LYS 1 43 1.327 -21.766 -1.465 1.00 0.00 C ATOM 719 CE LYS 1 43 0.190 -22.732 -1.155 1.00 0.00 C ATOM 720 NZ LYS 1 43 -1.100 -22.300 -1.766 1.00 0.00 N ATOM 0 H LYS 1 43 1.871 -17.504 0.312 1.00 0.00 H new ATOM 0 HA LYS 1 43 3.213 -19.987 0.917 1.00 0.00 H new ATOM 0 HB2 LYS 1 43 1.946 -18.598 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS 1 43 3.000 -19.970 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS 1 43 1.132 -20.661 0.367 1.00 0.00 H new ATOM 0 HG3 LYS 1 43 0.239 -19.979 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS 1 43 1.350 -21.563 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS 1 43 2.279 -22.231 -1.208 1.00 0.00 H new ATOM 0 HE2 LYS 1 43 0.449 -23.725 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS 1 43 0.069 -22.813 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS 1 43 -1.844 -22.987 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS 1 43 -1.363 -21.364 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS 1 43 -0.994 -22.248 -2.799 1.00 0.00 H new ATOM 734 N PHE 1 44 4.911 -17.468 -0.026 1.00 0.00 N ATOM 735 CA PHE 1 44 6.248 -16.940 -0.322 1.00 0.00 C ATOM 736 C PHE 1 44 7.003 -16.671 0.978 1.00 0.00 C ATOM 737 O PHE 1 44 8.225 -16.833 1.053 1.00 0.00 O ATOM 738 CB PHE 1 44 6.139 -15.651 -1.118 1.00 0.00 C ATOM 739 CG PHE 1 44 6.654 -15.756 -2.523 1.00 0.00 C ATOM 740 CD1 PHE 1 44 5.787 -16.021 -3.569 1.00 0.00 C ATOM 741 CD2 PHE 1 44 8.006 -15.596 -2.798 1.00 0.00 C ATOM 742 CE1 PHE 1 44 6.253 -16.126 -4.863 1.00 0.00 C ATOM 743 CE2 PHE 1 44 8.478 -15.700 -4.094 1.00 0.00 C ATOM 744 CZ PHE 1 44 7.598 -15.965 -5.127 1.00 0.00 C ATOM 0 H PHE 1 44 4.247 -16.755 0.277 1.00 0.00 H new ATOM 0 HA PHE 1 44 6.791 -17.680 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE 1 44 5.094 -15.341 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE 1 44 6.690 -14.867 -0.598 1.00 0.00 H new ATOM 0 HD1 PHE 1 44 4.733 -16.147 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE 1 44 8.695 -15.389 -1.993 1.00 0.00 H new ATOM 0 HE1 PHE 1 44 5.565 -16.334 -5.669 1.00 0.00 H new ATOM 0 HE2 PHE 1 44 9.531 -15.575 -4.298 1.00 0.00 H new ATOM 0 HZ PHE 1 44 7.963 -16.046 -6.140 1.00 0.00 H new ATOM 754 N GLY 1 45 6.237 -16.264 1.992 1.00 0.00 N ATOM 755 CA GLY 1 45 6.745 -15.964 3.298 1.00 0.00 C ATOM 756 C GLY 1 45 5.604 -15.759 4.260 1.00 0.00 C ATOM 757 O GLY 1 45 4.476 -16.190 3.998 1.00 0.00 O ATOM 0 H GLY 1 45 5.228 -16.137 1.909 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 7.382 -16.777 3.645 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 7.364 -15.068 3.259 1.00 0.00 H new ATOM 761 N GLU 1 46 5.890 -15.089 5.356 1.00 0.00 N ATOM 762 CA GLU 1 46 4.907 -14.810 6.360 1.00 0.00 C ATOM 763 C GLU 1 46 4.429 -13.377 6.253 1.00 0.00 C ATOM 764 O GLU 1 46 5.217 -12.433 6.150 1.00 0.00 O ATOM 765 CB GLU 1 46 5.427 -15.094 7.764 1.00 0.00 C ATOM 766 CG GLU 1 46 4.302 -15.195 8.785 1.00 0.00 C ATOM 767 CD GLU 1 46 4.769 -15.708 10.133 1.00 0.00 C ATOM 768 OE1 GLU 1 46 5.116 -14.876 10.998 1.00 0.00 O ATOM 769 OE2 GLU 1 46 4.789 -16.941 10.324 1.00 0.00 O ATOM 0 H GLU 1 46 6.818 -14.724 5.569 1.00 0.00 H new ATOM 0 HA GLU 1 46 4.065 -15.479 6.183 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 5.994 -16.025 7.758 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 6.115 -14.303 8.062 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 3.847 -14.213 8.914 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 3.527 -15.857 8.399 1.00 0.00 H new ATOM 776 N ILE 1 47 3.125 -13.267 6.304 1.00 0.00 N ATOM 777 CA ILE 1 47 2.422 -11.989 6.213 1.00 0.00 C ATOM 778 C ILE 1 47 1.897 -11.544 7.575 1.00 0.00 C ATOM 779 O ILE 1 47 1.404 -12.349 8.370 1.00 0.00 O ATOM 780 CB ILE 1 47 1.277 -12.033 5.170 1.00 0.00 C ATOM 781 CG1 ILE 1 47 1.863 -12.323 3.800 1.00 0.00 C ATOM 782 CG2 ILE 1 47 0.472 -10.729 5.120 1.00 0.00 C ATOM 783 CD1 ILE 1 47 1.127 -13.392 3.005 1.00 0.00 C ATOM 0 H ILE 1 47 2.503 -14.068 6.411 1.00 0.00 H new ATOM 0 HA ILE 1 47 3.149 -11.251 5.873 1.00 0.00 H new ATOM 0 HB ILE 1 47 0.588 -12.823 5.471 1.00 0.00 H new ATOM 0 HG12 ILE 1 47 1.871 -11.400 3.221 1.00 0.00 H new ATOM 0 HG13 ILE 1 47 2.901 -12.631 3.922 1.00 0.00 H new ATOM 0 HG21 ILE 1 47 -0.316 -10.817 4.372 1.00 0.00 H new ATOM 0 HG22 ILE 1 47 0.027 -10.539 6.097 1.00 0.00 H new ATOM 0 HG23 ILE 1 47 1.133 -9.903 4.855 1.00 0.00 H new ATOM 0 HD11 ILE 1 47 1.617 -13.531 2.041 1.00 0.00 H new ATOM 0 HD12 ILE 1 47 1.141 -14.331 3.558 1.00 0.00 H new ATOM 0 HD13 ILE 1 47 0.095 -13.081 2.846 1.00 0.00 H new ATOM 795 N ARG 1 48 2.046 -10.246 7.812 1.00 0.00 N ATOM 796 CA ARG 1 48 1.597 -9.584 9.025 1.00 0.00 C ATOM 797 C ARG 1 48 0.144 -9.131 8.870 1.00 0.00 C ATOM 798 O ARG 1 48 -0.674 -9.291 9.780 1.00 0.00 O ATOM 799 CB ARG 1 48 2.488 -8.366 9.256 1.00 0.00 C ATOM 800 CG ARG 1 48 2.715 -8.013 10.715 1.00 0.00 C ATOM 801 CD ARG 1 48 3.917 -7.095 10.880 1.00 0.00 C ATOM 802 NE ARG 1 48 4.154 -6.733 12.282 1.00 0.00 N ATOM 803 CZ ARG 1 48 5.360 -6.704 12.871 1.00 0.00 C ATOM 804 NH1 ARG 1 48 6.465 -7.016 12.194 1.00 0.00 N ATOM 805 NH2 ARG 1 48 5.458 -6.355 14.146 1.00 0.00 N ATOM 0 H ARG 1 48 2.493 -9.613 7.149 1.00 0.00 H new ATOM 0 HA ARG 1 48 1.658 -10.271 9.869 1.00 0.00 H new ATOM 0 HB2 ARG 1 48 3.455 -8.545 8.785 1.00 0.00 H new ATOM 0 HB3 ARG 1 48 2.043 -7.507 8.754 1.00 0.00 H new ATOM 0 HG2 ARG 1 48 1.826 -7.527 11.117 1.00 0.00 H new ATOM 0 HG3 ARG 1 48 2.869 -8.925 11.292 1.00 0.00 H new ATOM 0 HD2 ARG 1 48 4.804 -7.586 10.479 1.00 0.00 H new ATOM 0 HD3 ARG 1 48 3.762 -6.189 10.294 1.00 0.00 H new ATOM 0 HE ARG 1 48 3.344 -6.485 12.850 1.00 0.00 H new ATOM 0 HH11 ARG 1 48 6.403 -7.282 11.211 1.00 0.00 H new ATOM 0 HH12 ARG 1 48 7.373 -6.988 12.659 1.00 0.00 H new ATOM 0 HH21 ARG 1 48 4.620 -6.111 14.674 1.00 0.00 H new ATOM 0 HH22 ARG 1 48 6.371 -6.331 14.599 1.00 0.00 H new ATOM 819 N GLU 1 49 -0.155 -8.585 7.680 1.00 0.00 N ATOM 820 CA GLU 1 49 -1.474 -8.066 7.336 1.00 0.00 C ATOM 821 C GLU 1 49 -1.568 -7.898 5.822 1.00 0.00 C ATOM 822 O GLU 1 49 -0.555 -7.789 5.140 1.00 0.00 O ATOM 823 CB GLU 1 49 -1.733 -6.713 8.031 1.00 0.00 C ATOM 824 CG GLU 1 49 -3.208 -6.397 8.247 1.00 0.00 C ATOM 825 CD GLU 1 49 -3.426 -5.032 8.872 1.00 0.00 C ATOM 826 OE1 GLU 1 49 -3.434 -4.944 10.117 1.00 0.00 O ATOM 827 OE2 GLU 1 49 -3.588 -4.052 8.115 1.00 0.00 O ATOM 0 H GLU 1 49 0.526 -8.494 6.926 1.00 0.00 H new ATOM 0 HA GLU 1 49 -2.230 -8.773 7.678 1.00 0.00 H new ATOM 0 HB2 GLU 1 49 -1.227 -6.710 8.996 1.00 0.00 H new ATOM 0 HB3 GLU 1 49 -1.286 -5.918 7.434 1.00 0.00 H new ATOM 0 HG2 GLU 1 49 -3.729 -6.442 7.291 1.00 0.00 H new ATOM 0 HG3 GLU 1 49 -3.650 -7.161 8.887 1.00 0.00 H new ATOM 834 N CYS 1 50 -2.793 -7.887 5.322 1.00 0.00 N ATOM 835 CA CYS 1 50 -3.080 -7.715 3.918 1.00 0.00 C ATOM 836 C CYS 1 50 -4.254 -6.768 3.759 1.00 0.00 C ATOM 837 O CYS 1 50 -5.147 -6.705 4.610 1.00 0.00 O ATOM 838 CB CYS 1 50 -3.354 -9.052 3.224 1.00 0.00 C ATOM 839 SG CYS 1 50 -3.784 -8.915 1.471 1.00 0.00 S ATOM 0 H CYS 1 50 -3.628 -8.000 5.897 1.00 0.00 H new ATOM 0 HA CYS 1 50 -2.202 -7.286 3.435 1.00 0.00 H new ATOM 0 HB2 CYS 1 50 -2.471 -9.684 3.320 1.00 0.00 H new ATOM 0 HB3 CYS 1 50 -4.166 -9.558 3.746 1.00 0.00 H new ATOM 0 HG CYS 1 50 -4.587 -9.884 1.144 1.00 0.00 H new ATOM 845 N MET 1 51 -4.233 -6.048 2.652 1.00 0.00 N ATOM 846 CA MET 1 51 -5.240 -5.049 2.336 1.00 0.00 C ATOM 847 C MET 1 51 -5.504 -4.953 0.836 1.00 0.00 C ATOM 848 O MET 1 51 -4.590 -4.998 0.014 1.00 0.00 O ATOM 849 CB MET 1 51 -4.805 -3.685 2.877 1.00 0.00 C ATOM 850 CG MET 1 51 -5.784 -2.539 2.628 1.00 0.00 C ATOM 851 SD MET 1 51 -5.280 -0.997 3.420 1.00 0.00 S ATOM 852 CE MET 1 51 -4.052 -0.388 2.266 1.00 0.00 C ATOM 0 H MET 1 51 -3.509 -6.141 1.939 1.00 0.00 H new ATOM 0 HA MET 1 51 -6.170 -5.358 2.813 1.00 0.00 H new ATOM 0 HB2 MET 1 51 -4.642 -3.774 3.951 1.00 0.00 H new ATOM 0 HB3 MET 1 51 -3.846 -3.425 2.430 1.00 0.00 H new ATOM 0 HG2 MET 1 51 -5.878 -2.376 1.554 1.00 0.00 H new ATOM 0 HG3 MET 1 51 -6.770 -2.824 2.995 1.00 0.00 H new ATOM 0 HE1 MET 1 51 -3.653 0.560 2.626 1.00 0.00 H new ATOM 0 HE2 MET 1 51 -3.243 -1.113 2.180 1.00 0.00 H new ATOM 0 HE3 MET 1 51 -4.512 -0.240 1.289 1.00 0.00 H new ATOM 862 N VAL 1 52 -6.785 -4.861 0.528 1.00 0.00 N ATOM 863 CA VAL 1 52 -7.294 -4.680 -0.827 1.00 0.00 C ATOM 864 C VAL 1 52 -8.209 -3.460 -0.816 1.00 0.00 C ATOM 865 O VAL 1 52 -9.175 -3.387 -0.050 1.00 0.00 O ATOM 866 CB VAL 1 52 -8.024 -5.927 -1.350 1.00 0.00 C ATOM 867 CG1 VAL 1 52 -8.587 -5.735 -2.758 1.00 0.00 C ATOM 868 CG2 VAL 1 52 -7.090 -7.118 -1.331 1.00 0.00 C ATOM 0 H VAL 1 52 -7.523 -4.911 1.230 1.00 0.00 H new ATOM 0 HA VAL 1 52 -6.460 -4.524 -1.511 1.00 0.00 H new ATOM 0 HB VAL 1 52 -8.870 -6.103 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL 1 52 -9.092 -6.647 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL 1 52 -9.298 -4.909 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL 1 52 -7.773 -5.511 -3.448 1.00 0.00 H new ATOM 0 HG21 VAL 1 52 -7.615 -7.998 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL 1 52 -6.228 -6.914 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL 1 52 -6.754 -7.301 -0.310 1.00 0.00 H new ATOM 878 N MET 1 53 -7.875 -2.520 -1.681 1.00 0.00 N ATOM 879 CA MET 1 53 -8.577 -1.238 -1.804 1.00 0.00 C ATOM 880 C MET 1 53 -9.925 -1.350 -2.513 1.00 0.00 C ATOM 881 O MET 1 53 -10.014 -1.838 -3.644 1.00 0.00 O ATOM 882 CB MET 1 53 -7.685 -0.214 -2.513 1.00 0.00 C ATOM 883 CG MET 1 53 -7.060 0.798 -1.562 1.00 0.00 C ATOM 884 SD MET 1 53 -8.287 1.771 -0.665 1.00 0.00 S ATOM 885 CE MET 1 53 -7.239 2.647 0.494 1.00 0.00 C ATOM 0 H MET 1 53 -7.097 -2.619 -2.333 1.00 0.00 H new ATOM 0 HA MET 1 53 -8.791 -0.902 -0.789 1.00 0.00 H new ATOM 0 HB2 MET 1 53 -6.893 -0.739 -3.046 1.00 0.00 H new ATOM 0 HB3 MET 1 53 -8.275 0.316 -3.261 1.00 0.00 H new ATOM 0 HG2 MET 1 53 -6.426 0.274 -0.847 1.00 0.00 H new ATOM 0 HG3 MET 1 53 -6.414 1.470 -2.128 1.00 0.00 H new ATOM 0 HE1 MET 1 53 -7.852 3.293 1.122 1.00 0.00 H new ATOM 0 HE2 MET 1 53 -6.709 1.929 1.120 1.00 0.00 H new ATOM 0 HE3 MET 1 53 -6.517 3.253 -0.054 1.00 0.00 H new ATOM 895 N ARG 1 54 -10.961 -0.878 -1.813 1.00 0.00 N ATOM 896 CA ARG 1 54 -12.336 -0.885 -2.307 1.00 0.00 C ATOM 897 C ARG 1 54 -13.018 0.449 -1.996 1.00 0.00 C ATOM 898 O ARG 1 54 -12.598 1.166 -1.082 1.00 0.00 O ATOM 899 CB ARG 1 54 -13.111 -2.040 -1.667 1.00 0.00 C ATOM 900 CG ARG 1 54 -13.038 -3.336 -2.455 1.00 0.00 C ATOM 901 CD ARG 1 54 -13.777 -4.459 -1.747 1.00 0.00 C ATOM 902 NE ARG 1 54 -13.694 -5.724 -2.485 1.00 0.00 N ATOM 903 CZ ARG 1 54 -14.252 -6.878 -2.090 1.00 0.00 C ATOM 904 NH1 ARG 1 54 -14.946 -6.954 -0.955 1.00 0.00 N ATOM 905 NH2 ARG 1 54 -14.111 -7.963 -2.838 1.00 0.00 N ATOM 0 H ARG 1 54 -10.865 -0.477 -0.880 1.00 0.00 H new ATOM 0 HA ARG 1 54 -12.324 -1.023 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG 1 54 -12.724 -2.213 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG 1 54 -14.156 -1.749 -1.560 1.00 0.00 H new ATOM 0 HG2 ARG 1 54 -13.466 -3.185 -3.446 1.00 0.00 H new ATOM 0 HG3 ARG 1 54 -11.995 -3.618 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG 1 54 -13.360 -4.594 -0.749 1.00 0.00 H new ATOM 0 HD3 ARG 1 54 -14.823 -4.181 -1.621 1.00 0.00 H new ATOM 0 HE ARG 1 54 -13.174 -5.726 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG 1 54 -15.060 -6.126 -0.371 1.00 0.00 H new ATOM 0 HH12 ARG 1 54 -15.363 -7.840 -0.671 1.00 0.00 H new ATOM 0 HH21 ARG 1 54 -13.581 -7.917 -3.708 1.00 0.00 H new ATOM 0 HH22 ARG 1 54 -14.533 -8.844 -2.544 1.00 0.00 H new ATOM 919 N ASP 1 55 -14.081 0.768 -2.746 1.00 0.00 N ATOM 920 CA ASP 1 55 -14.815 1.995 -2.575 1.00 0.00 C ATOM 921 C ASP 1 55 -16.154 1.736 -1.876 1.00 0.00 C ATOM 922 O ASP 1 55 -16.978 0.991 -2.402 1.00 0.00 O ATOM 923 CB ASP 1 55 -15.057 2.642 -3.922 1.00 0.00 C ATOM 924 CG ASP 1 55 -13.982 3.643 -4.294 1.00 0.00 C ATOM 925 OD1 ASP 1 55 -14.113 4.823 -3.908 1.00 0.00 O ATOM 926 OD2 ASP 1 55 -13.009 3.246 -4.968 1.00 0.00 O ATOM 0 H ASP 1 55 -14.445 0.169 -3.487 1.00 0.00 H new ATOM 0 HA ASP 1 55 -14.224 2.665 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP 1 55 -15.107 1.868 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP 1 55 -16.025 3.143 -3.911 1.00 0.00 H new ATOM 931 N PRO 1 56 -16.394 2.318 -0.667 1.00 0.00 N ATOM 932 CA PRO 1 56 -17.673 2.143 0.059 1.00 0.00 C ATOM 933 C PRO 1 56 -18.885 2.733 -0.681 1.00 0.00 C ATOM 934 O PRO 1 56 -20.031 2.505 -0.279 1.00 0.00 O ATOM 935 CB PRO 1 56 -17.453 2.901 1.378 1.00 0.00 C ATOM 936 CG PRO 1 56 -15.978 3.063 1.506 1.00 0.00 C ATOM 937 CD PRO 1 56 -15.440 3.138 0.106 1.00 0.00 C ATOM 0 HA PRO 1 56 -17.905 1.085 0.180 1.00 0.00 H new ATOM 0 HB2 PRO 1 56 -17.954 3.869 1.362 1.00 0.00 H new ATOM 0 HB3 PRO 1 56 -17.861 2.345 2.222 1.00 0.00 H new ATOM 0 HG2 PRO 1 56 -15.733 3.966 2.066 1.00 0.00 H new ATOM 0 HG3 PRO 1 56 -15.540 2.224 2.047 1.00 0.00 H new ATOM 0 HD2 PRO 1 56 -15.405 4.165 -0.257 1.00 0.00 H new ATOM 0 HD3 PRO 1 56 -14.426 2.743 0.043 1.00 0.00 H new ATOM 945 N THR 1 57 -18.621 3.489 -1.761 1.00 0.00 N ATOM 946 CA THR 1 57 -19.671 4.128 -2.553 1.00 0.00 C ATOM 947 C THR 1 57 -20.309 3.175 -3.567 1.00 0.00 C ATOM 948 O THR 1 57 -21.535 3.145 -3.712 1.00 0.00 O ATOM 949 CB THR 1 57 -19.146 5.371 -3.302 1.00 0.00 C ATOM 950 OG1 THR 1 57 -17.915 5.064 -3.969 1.00 0.00 O ATOM 951 CG2 THR 1 57 -18.936 6.539 -2.348 1.00 0.00 C ATOM 0 H THR 1 57 -17.677 3.670 -2.103 1.00 0.00 H new ATOM 0 HA THR 1 57 -20.432 4.430 -1.834 1.00 0.00 H new ATOM 0 HB THR 1 57 -19.895 5.659 -4.040 1.00 0.00 H new ATOM 0 HG1 THR 1 57 -17.592 5.859 -4.442 1.00 0.00 H new ATOM 0 HG21 THR 1 57 -18.566 7.401 -2.904 1.00 0.00 H new ATOM 0 HG22 THR 1 57 -19.882 6.794 -1.871 1.00 0.00 H new ATOM 0 HG23 THR 1 57 -18.209 6.260 -1.585 1.00 0.00 H new ATOM 959 N THR 1 58 -19.464 2.403 -4.261 1.00 0.00 N ATOM 960 CA THR 1 58 -19.926 1.449 -5.279 1.00 0.00 C ATOM 961 C THR 1 58 -19.563 0.003 -4.932 1.00 0.00 C ATOM 962 O THR 1 58 -20.029 -0.932 -5.589 1.00 0.00 O ATOM 963 CB THR 1 58 -19.346 1.793 -6.671 1.00 0.00 C ATOM 964 OG1 THR 1 58 -17.913 1.784 -6.628 1.00 0.00 O ATOM 965 CG2 THR 1 58 -19.829 3.159 -7.135 1.00 0.00 C ATOM 0 H THR 1 58 -18.452 2.420 -4.136 1.00 0.00 H new ATOM 0 HA THR 1 58 -21.012 1.535 -5.302 1.00 0.00 H new ATOM 0 HB THR 1 58 -19.693 1.038 -7.376 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -17.558 2.001 -7.515 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -19.408 3.380 -8.116 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -20.917 3.158 -7.199 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -19.508 3.920 -6.423 1.00 0.00 H new ATOM 973 N LYS 1 59 -18.729 -0.175 -3.882 1.00 0.00 N ATOM 974 CA LYS 1 59 -18.265 -1.504 -3.396 1.00 0.00 C ATOM 975 C LYS 1 59 -17.444 -2.252 -4.463 1.00 0.00 C ATOM 976 O LYS 1 59 -17.145 -3.443 -4.321 1.00 0.00 O ATOM 977 CB LYS 1 59 -19.450 -2.376 -2.926 1.00 0.00 C ATOM 978 CG LYS 1 59 -20.580 -1.597 -2.261 1.00 0.00 C ATOM 979 CD LYS 1 59 -20.366 -1.424 -0.763 1.00 0.00 C ATOM 980 CE LYS 1 59 -21.471 -0.584 -0.144 1.00 0.00 C ATOM 981 NZ LYS 1 59 -21.311 -0.449 1.330 1.00 0.00 N ATOM 0 H LYS 1 59 -18.353 0.604 -3.341 1.00 0.00 H new ATOM 0 HA LYS 1 59 -17.614 -1.316 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS 1 59 -19.852 -2.914 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS 1 59 -19.079 -3.124 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS 1 59 -20.665 -0.616 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS 1 59 -21.524 -2.114 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS 1 59 -20.336 -2.402 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS 1 59 -19.401 -0.950 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS 1 59 -21.473 0.406 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS 1 59 -22.437 -1.038 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS 1 59 -22.085 0.131 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS 1 59 -21.335 -1.391 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS 1 59 -20.401 0.008 1.540 1.00 0.00 H new ATOM 995 N ARG 1 60 -17.066 -1.517 -5.510 1.00 0.00 N ATOM 996 CA ARG 1 60 -16.282 -2.064 -6.627 1.00 0.00 C ATOM 997 C ARG 1 60 -14.783 -1.865 -6.406 1.00 0.00 C ATOM 998 O ARG 1 60 -14.358 -0.836 -5.873 1.00 0.00 O ATOM 999 CB ARG 1 60 -16.699 -1.406 -7.947 1.00 0.00 C ATOM 1000 CG ARG 1 60 -18.092 -1.804 -8.421 1.00 0.00 C ATOM 1001 CD ARG 1 60 -18.446 -1.151 -9.749 1.00 0.00 C ATOM 1002 NE ARG 1 60 -17.758 -1.785 -10.881 1.00 0.00 N ATOM 1003 CZ ARG 1 60 -17.845 -1.375 -12.154 1.00 0.00 C ATOM 1004 NH1 ARG 1 60 -18.593 -0.326 -12.491 1.00 0.00 N ATOM 1005 NH2 ARG 1 60 -17.181 -2.027 -13.098 1.00 0.00 N ATOM 0 H ARG 1 60 -17.292 -0.528 -5.611 1.00 0.00 H new ATOM 0 HA ARG 1 60 -16.484 -3.134 -6.677 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -16.661 -0.323 -7.830 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -15.974 -1.669 -8.718 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -18.145 -2.888 -8.524 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -18.827 -1.519 -7.668 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -19.524 -1.207 -9.904 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -18.184 -0.094 -9.713 1.00 0.00 H new ATOM 0 HE ARG 1 60 -17.172 -2.596 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -19.113 0.181 -11.775 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -18.646 -0.030 -13.466 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -16.609 -2.835 -12.853 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -17.243 -1.721 -14.069 1.00 0.00 H new ATOM 1019 N SER 1 61 -13.995 -2.864 -6.825 1.00 0.00 N ATOM 1020 CA SER 1 61 -12.535 -2.831 -6.691 1.00 0.00 C ATOM 1021 C SER 1 61 -11.881 -2.308 -7.972 1.00 0.00 C ATOM 1022 O SER 1 61 -12.459 -2.416 -9.058 1.00 0.00 O ATOM 1023 CB SER 1 61 -12.005 -4.229 -6.369 1.00 0.00 C ATOM 1024 OG SER 1 61 -12.609 -4.747 -5.197 1.00 0.00 O ATOM 0 H SER 1 61 -14.351 -3.713 -7.264 1.00 0.00 H new ATOM 0 HA SER 1 61 -12.283 -2.154 -5.874 1.00 0.00 H new ATOM 0 HB2 SER 1 61 -12.200 -4.897 -7.208 1.00 0.00 H new ATOM 0 HB3 SER 1 61 -10.924 -4.190 -6.237 1.00 0.00 H new ATOM 0 HG SER 1 61 -12.657 -5.724 -5.258 1.00 0.00 H new ATOM 1030 N ARG 1 62 -10.674 -1.744 -7.833 1.00 0.00 N ATOM 1031 CA ARG 1 62 -9.932 -1.200 -8.976 1.00 0.00 C ATOM 1032 C ARG 1 62 -8.887 -2.191 -9.505 1.00 0.00 C ATOM 1033 O ARG 1 62 -8.308 -1.975 -10.575 1.00 0.00 O ATOM 1034 CB ARG 1 62 -9.266 0.128 -8.602 1.00 0.00 C ATOM 1035 CG ARG 1 62 -10.230 1.305 -8.568 1.00 0.00 C ATOM 1036 CD ARG 1 62 -9.494 2.625 -8.397 1.00 0.00 C ATOM 1037 NE ARG 1 62 -10.405 3.774 -8.440 1.00 0.00 N ATOM 1038 CZ ARG 1 62 -10.030 5.038 -8.690 1.00 0.00 C ATOM 1039 NH1 ARG 1 62 -8.755 5.345 -8.928 1.00 0.00 N ATOM 1040 NH2 ARG 1 62 -10.942 6.001 -8.701 1.00 0.00 N ATOM 0 H ARG 1 62 -10.191 -1.653 -6.939 1.00 0.00 H new ATOM 0 HA ARG 1 62 -10.651 -1.023 -9.776 1.00 0.00 H new ATOM 0 HB2 ARG 1 62 -8.796 0.026 -7.624 1.00 0.00 H new ATOM 0 HB3 ARG 1 62 -8.471 0.340 -9.317 1.00 0.00 H new ATOM 0 HG2 ARG 1 62 -10.810 1.328 -9.490 1.00 0.00 H new ATOM 0 HG3 ARG 1 62 -10.938 1.173 -7.749 1.00 0.00 H new ATOM 0 HD2 ARG 1 62 -8.960 2.621 -7.447 1.00 0.00 H new ATOM 0 HD3 ARG 1 62 -8.745 2.727 -9.183 1.00 0.00 H new ATOM 0 HE ARG 1 62 -11.395 3.600 -8.267 1.00 0.00 H new ATOM 0 HH11 ARG 1 62 -8.045 4.613 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG 1 62 -8.490 6.312 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG 1 62 -11.921 5.778 -8.520 1.00 0.00 H new ATOM 0 HH22 ARG 1 62 -10.664 6.964 -8.890 1.00 0.00 H new ATOM 1054 N GLY 1 63 -8.660 -3.275 -8.753 1.00 0.00 N ATOM 1055 CA GLY 1 63 -7.707 -4.301 -9.155 1.00 0.00 C ATOM 1056 C GLY 1 63 -6.304 -4.093 -8.605 1.00 0.00 C ATOM 1057 O GLY 1 63 -5.325 -4.344 -9.313 1.00 0.00 O ATOM 0 H GLY 1 63 -9.126 -3.459 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY 1 63 -8.075 -5.273 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY 1 63 -7.659 -4.331 -10.244 1.00 0.00 H new ATOM 1061 N PHE 1 64 -6.201 -3.610 -7.355 1.00 0.00 N ATOM 1062 CA PHE 1 64 -4.900 -3.398 -6.700 1.00 0.00 C ATOM 1063 C PHE 1 64 -5.023 -3.485 -5.176 1.00 0.00 C ATOM 1064 O PHE 1 64 -6.085 -3.191 -4.618 1.00 0.00 O ATOM 1065 CB PHE 1 64 -4.246 -2.071 -7.137 1.00 0.00 C ATOM 1066 CG PHE 1 64 -4.949 -0.824 -6.686 1.00 0.00 C ATOM 1067 CD1 PHE 1 64 -5.712 -0.093 -7.568 1.00 0.00 C ATOM 1068 CD2 PHE 1 64 -4.821 -0.386 -5.386 1.00 0.00 C ATOM 1069 CE1 PHE 1 64 -6.340 1.068 -7.161 1.00 0.00 C ATOM 1070 CE2 PHE 1 64 -5.446 0.769 -4.963 1.00 0.00 C ATOM 1071 CZ PHE 1 64 -6.206 1.502 -5.854 1.00 0.00 C ATOM 0 H PHE 1 64 -7.004 -3.359 -6.778 1.00 0.00 H new ATOM 0 HA PHE 1 64 -4.241 -4.203 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE 1 64 -3.224 -2.048 -6.758 1.00 0.00 H new ATOM 0 HB3 PHE 1 64 -4.183 -2.058 -8.225 1.00 0.00 H new ATOM 0 HD1 PHE 1 64 -5.821 -0.430 -8.588 1.00 0.00 H new ATOM 0 HD2 PHE 1 64 -4.223 -0.954 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE 1 64 -6.934 1.636 -7.861 1.00 0.00 H new ATOM 0 HE2 PHE 1 64 -5.342 1.099 -3.940 1.00 0.00 H new ATOM 0 HZ PHE 1 64 -6.694 2.410 -5.532 1.00 0.00 H new ATOM 1081 N GLY 1 65 -3.926 -3.887 -4.521 1.00 0.00 N ATOM 1082 CA GLY 1 65 -3.897 -4.012 -3.100 1.00 0.00 C ATOM 1083 C GLY 1 65 -2.484 -3.961 -2.578 1.00 0.00 C ATOM 1084 O GLY 1 65 -1.557 -3.601 -3.301 1.00 0.00 O ATOM 0 H GLY 1 65 -3.048 -4.129 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -4.483 -3.211 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -4.363 -4.952 -2.805 1.00 0.00 H new ATOM 1088 N PHE 1 66 -2.349 -4.281 -1.305 1.00 0.00 N ATOM 1089 CA PHE 1 66 -1.115 -4.298 -0.593 1.00 0.00 C ATOM 1090 C PHE 1 66 -1.046 -5.537 0.291 1.00 0.00 C ATOM 1091 O PHE 1 66 -2.065 -6.176 0.576 1.00 0.00 O ATOM 1092 CB PHE 1 66 -1.052 -3.062 0.273 1.00 0.00 C ATOM 1093 CG PHE 1 66 -0.989 -1.766 -0.484 1.00 0.00 C ATOM 1094 CD1 PHE 1 66 -2.149 -1.189 -0.982 1.00 0.00 C ATOM 1095 CD2 PHE 1 66 0.220 -1.124 -0.695 1.00 0.00 C ATOM 1096 CE1 PHE 1 66 -2.106 0.000 -1.675 1.00 0.00 C ATOM 1097 CE2 PHE 1 66 0.269 0.069 -1.391 1.00 0.00 C ATOM 1098 CZ PHE 1 66 -0.899 0.632 -1.880 1.00 0.00 C ATOM 0 H PHE 1 66 -3.144 -4.547 -0.724 1.00 0.00 H new ATOM 0 HA PHE 1 66 -0.280 -4.316 -1.294 1.00 0.00 H new ATOM 0 HB2 PHE 1 66 -1.927 -3.045 0.922 1.00 0.00 H new ATOM 0 HB3 PHE 1 66 -0.177 -3.132 0.919 1.00 0.00 H new ATOM 0 HD1 PHE 1 66 -3.098 -1.679 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE 1 66 1.132 -1.559 -0.313 1.00 0.00 H new ATOM 0 HE1 PHE 1 66 -3.017 0.437 -2.057 1.00 0.00 H new ATOM 0 HE2 PHE 1 66 1.216 0.562 -1.554 1.00 0.00 H new ATOM 0 HZ PHE 1 66 -0.863 1.566 -2.422 1.00 0.00 H new ATOM 1108 N VAL 1 67 0.164 -5.870 0.698 1.00 0.00 N ATOM 1109 CA VAL 1 67 0.436 -6.999 1.580 1.00 0.00 C ATOM 1110 C VAL 1 67 1.623 -6.643 2.429 1.00 0.00 C ATOM 1111 O VAL 1 67 2.649 -6.169 1.939 1.00 0.00 O ATOM 1112 CB VAL 1 67 0.690 -8.349 0.830 1.00 0.00 C ATOM 1113 CG1 VAL 1 67 1.161 -9.456 1.782 1.00 0.00 C ATOM 1114 CG2 VAL 1 67 -0.556 -8.819 0.084 1.00 0.00 C ATOM 0 H VAL 1 67 1.002 -5.358 0.423 1.00 0.00 H new ATOM 0 HA VAL 1 67 -0.455 -7.172 2.184 1.00 0.00 H new ATOM 0 HB VAL 1 67 1.483 -8.152 0.109 1.00 0.00 H new ATOM 0 HG11 VAL 1 67 1.325 -10.375 1.219 1.00 0.00 H new ATOM 0 HG12 VAL 1 67 2.092 -9.153 2.260 1.00 0.00 H new ATOM 0 HG13 VAL 1 67 0.401 -9.628 2.544 1.00 0.00 H new ATOM 0 HG21 VAL 1 67 -0.342 -9.759 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL 1 67 -1.370 -8.967 0.793 1.00 0.00 H new ATOM 0 HG23 VAL 1 67 -0.846 -8.067 -0.650 1.00 0.00 H new ATOM 1124 N THR 1 68 1.449 -6.889 3.701 1.00 0.00 N ATOM 1125 CA THR 1 68 2.441 -6.585 4.686 1.00 0.00 C ATOM 1126 C THR 1 68 3.137 -7.830 5.176 1.00 0.00 C ATOM 1127 O THR 1 68 2.586 -8.610 5.955 1.00 0.00 O ATOM 1128 CB THR 1 68 1.817 -5.840 5.848 1.00 0.00 C ATOM 1129 OG1 THR 1 68 0.775 -4.987 5.345 1.00 0.00 O ATOM 1130 CG2 THR 1 68 2.884 -5.044 6.594 1.00 0.00 C ATOM 0 H THR 1 68 0.602 -7.311 4.082 1.00 0.00 H new ATOM 0 HA THR 1 68 3.191 -5.949 4.216 1.00 0.00 H new ATOM 0 HB THR 1 68 1.381 -6.544 6.557 1.00 0.00 H new ATOM 0 HG1 THR 1 68 0.363 -4.501 6.089 1.00 0.00 H new ATOM 0 HG21 THR 1 68 2.425 -4.512 7.427 1.00 0.00 H new ATOM 0 HG22 THR 1 68 3.646 -5.724 6.973 1.00 0.00 H new ATOM 0 HG23 THR 1 68 3.344 -4.326 5.915 1.00 0.00 H new ATOM 1138 N PHE 1 69 4.362 -7.978 4.712 1.00 0.00 N ATOM 1139 CA PHE 1 69 5.203 -9.099 5.065 1.00 0.00 C ATOM 1140 C PHE 1 69 5.915 -8.894 6.405 1.00 0.00 C ATOM 1141 O PHE 1 69 6.627 -7.902 6.595 1.00 0.00 O ATOM 1142 CB PHE 1 69 6.212 -9.337 3.960 1.00 0.00 C ATOM 1143 CG PHE 1 69 5.657 -10.183 2.858 1.00 0.00 C ATOM 1144 CD1 PHE 1 69 5.150 -9.597 1.715 1.00 0.00 C ATOM 1145 CD2 PHE 1 69 5.628 -11.564 2.973 1.00 0.00 C ATOM 1146 CE1 PHE 1 69 4.626 -10.372 0.699 1.00 0.00 C ATOM 1147 CE2 PHE 1 69 5.107 -12.344 1.964 1.00 0.00 C ATOM 1148 CZ PHE 1 69 4.608 -11.751 0.827 1.00 0.00 C ATOM 0 H PHE 1 69 4.803 -7.316 4.074 1.00 0.00 H new ATOM 0 HA PHE 1 69 4.564 -9.975 5.180 1.00 0.00 H new ATOM 0 HB2 PHE 1 69 6.534 -8.379 3.553 1.00 0.00 H new ATOM 0 HB3 PHE 1 69 7.096 -9.820 4.376 1.00 0.00 H new ATOM 0 HD1 PHE 1 69 5.163 -8.522 1.615 1.00 0.00 H new ATOM 0 HD2 PHE 1 69 6.018 -12.034 3.864 1.00 0.00 H new ATOM 0 HE1 PHE 1 69 4.232 -9.905 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE 1 69 5.090 -13.419 2.065 1.00 0.00 H new ATOM 0 HZ PHE 1 69 4.202 -12.361 0.034 1.00 0.00 H new ATOM 1158 N ALA 1 70 5.713 -9.847 7.328 1.00 0.00 N ATOM 1159 CA ALA 1 70 6.318 -9.793 8.664 1.00 0.00 C ATOM 1160 C ALA 1 70 7.786 -10.214 8.694 1.00 0.00 C ATOM 1161 O ALA 1 70 8.416 -10.268 9.756 1.00 0.00 O ATOM 1162 CB ALA 1 70 5.499 -10.616 9.651 1.00 0.00 C ATOM 0 H ALA 1 70 5.131 -10.669 7.170 1.00 0.00 H new ATOM 0 HA ALA 1 70 6.304 -8.745 8.963 1.00 0.00 H new ATOM 0 HB1 ALA 1 70 5.960 -10.566 10.637 1.00 0.00 H new ATOM 0 HB2 ALA 1 70 4.486 -10.218 9.704 1.00 0.00 H new ATOM 0 HB3 ALA 1 70 5.464 -11.654 9.319 1.00 0.00 H new ATOM 1168 N ASP 1 71 8.307 -10.490 7.519 1.00 0.00 N ATOM 1169 CA ASP 1 71 9.680 -10.901 7.339 1.00 0.00 C ATOM 1170 C ASP 1 71 10.374 -10.079 6.258 1.00 0.00 C ATOM 1171 O ASP 1 71 9.805 -9.882 5.178 1.00 0.00 O ATOM 1172 CB ASP 1 71 9.728 -12.365 6.933 1.00 0.00 C ATOM 1173 CG ASP 1 71 11.056 -13.053 7.223 1.00 0.00 C ATOM 1174 OD1 ASP 1 71 11.690 -12.734 8.253 1.00 0.00 O ATOM 1175 OD2 ASP 1 71 11.452 -13.925 6.421 1.00 0.00 O ATOM 0 H ASP 1 71 7.779 -10.434 6.648 1.00 0.00 H new ATOM 0 HA ASP 1 71 10.196 -10.746 8.286 1.00 0.00 H new ATOM 0 HB2 ASP 1 71 8.934 -12.900 7.453 1.00 0.00 H new ATOM 0 HB3 ASP 1 71 9.518 -12.441 5.866 1.00 0.00 H new ATOM 1180 N PRO 1 72 11.607 -9.570 6.522 1.00 0.00 N ATOM 1181 CA PRO 1 72 12.377 -8.834 5.514 1.00 0.00 C ATOM 1182 C PRO 1 72 12.944 -9.758 4.453 1.00 0.00 C ATOM 1183 O PRO 1 72 13.362 -9.318 3.378 1.00 0.00 O ATOM 1184 CB PRO 1 72 13.523 -8.211 6.286 1.00 0.00 C ATOM 1185 CG PRO 1 72 13.232 -8.428 7.733 1.00 0.00 C ATOM 1186 CD PRO 1 72 12.344 -9.632 7.804 1.00 0.00 C ATOM 0 HA PRO 1 72 11.749 -8.108 4.998 1.00 0.00 H new ATOM 0 HB2 PRO 1 72 14.472 -8.671 6.009 1.00 0.00 H new ATOM 0 HB3 PRO 1 72 13.607 -7.147 6.063 1.00 0.00 H new ATOM 0 HG2 PRO 1 72 14.152 -8.589 8.295 1.00 0.00 H new ATOM 0 HG3 PRO 1 72 12.742 -7.556 8.167 1.00 0.00 H new ATOM 0 HD2 PRO 1 72 12.918 -10.554 7.896 1.00 0.00 H new ATOM 0 HD3 PRO 1 72 11.671 -9.589 8.660 1.00 0.00 H new ATOM 1194 N ALA 1 73 12.949 -11.047 4.787 1.00 0.00 N ATOM 1195 CA ALA 1 73 13.475 -12.081 3.902 1.00 0.00 C ATOM 1196 C ALA 1 73 12.502 -12.417 2.785 1.00 0.00 C ATOM 1197 O ALA 1 73 12.912 -12.770 1.676 1.00 0.00 O ATOM 1198 CB ALA 1 73 13.845 -13.328 4.687 1.00 0.00 C ATOM 0 H ALA 1 73 12.590 -11.401 5.674 1.00 0.00 H new ATOM 0 HA ALA 1 73 14.378 -11.683 3.439 1.00 0.00 H new ATOM 0 HB1 ALA 1 73 14.235 -14.084 4.006 1.00 0.00 H new ATOM 0 HB2 ALA 1 73 14.606 -13.080 5.427 1.00 0.00 H new ATOM 0 HB3 ALA 1 73 12.960 -13.716 5.192 1.00 0.00 H new ATOM 1204 N SER 1 74 11.214 -12.282 3.090 1.00 0.00 N ATOM 1205 CA SER 1 74 10.143 -12.563 2.127 1.00 0.00 C ATOM 1206 C SER 1 74 10.106 -11.518 1.021 1.00 0.00 C ATOM 1207 O SER 1 74 9.753 -11.816 -0.121 1.00 0.00 O ATOM 1208 CB SER 1 74 8.794 -12.660 2.827 1.00 0.00 C ATOM 1209 OG SER 1 74 7.871 -13.386 2.037 1.00 0.00 O ATOM 0 H SER 1 74 10.881 -11.977 4.004 1.00 0.00 H new ATOM 0 HA SER 1 74 10.356 -13.527 1.666 1.00 0.00 H new ATOM 0 HB2 SER 1 74 8.915 -13.148 3.794 1.00 0.00 H new ATOM 0 HB3 SER 1 74 8.407 -11.660 3.021 1.00 0.00 H new ATOM 0 HG SER 1 74 6.957 -13.159 2.310 1.00 0.00 H new ATOM 1215 N VAL 1 75 10.484 -10.293 1.387 1.00 0.00 N ATOM 1216 CA VAL 1 75 10.538 -9.163 0.458 1.00 0.00 C ATOM 1217 C VAL 1 75 11.686 -9.367 -0.527 1.00 0.00 C ATOM 1218 O VAL 1 75 11.614 -8.950 -1.684 1.00 0.00 O ATOM 1219 CB VAL 1 75 10.715 -7.806 1.205 1.00 0.00 C ATOM 1220 CG1 VAL 1 75 10.438 -6.609 0.294 1.00 0.00 C ATOM 1221 CG2 VAL 1 75 9.823 -7.725 2.443 1.00 0.00 C ATOM 0 H VAL 1 75 10.762 -10.055 2.339 1.00 0.00 H new ATOM 0 HA VAL 1 75 9.590 -9.123 -0.078 1.00 0.00 H new ATOM 0 HB VAL 1 75 11.758 -7.765 1.519 1.00 0.00 H new ATOM 0 HG11 VAL 1 75 10.573 -5.685 0.856 1.00 0.00 H new ATOM 0 HG12 VAL 1 75 11.129 -6.626 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL 1 75 9.414 -6.662 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL 1 75 9.973 -6.765 2.938 1.00 0.00 H new ATOM 0 HG22 VAL 1 75 8.779 -7.820 2.146 1.00 0.00 H new ATOM 0 HG23 VAL 1 75 10.080 -8.532 3.130 1.00 0.00 H new ATOM 1231 N ASP 1 76 12.727 -10.033 -0.031 1.00 0.00 N ATOM 1232 CA ASP 1 76 13.912 -10.371 -0.806 1.00 0.00 C ATOM 1233 C ASP 1 76 13.581 -11.469 -1.813 1.00 0.00 C ATOM 1234 O ASP 1 76 14.017 -11.441 -2.968 1.00 0.00 O ATOM 1235 CB ASP 1 76 15.007 -10.842 0.145 1.00 0.00 C ATOM 1236 CG ASP 1 76 16.407 -10.562 -0.372 1.00 0.00 C ATOM 1237 OD1 ASP 1 76 16.955 -11.420 -1.096 1.00 0.00 O ATOM 1238 OD2 ASP 1 76 16.954 -9.486 -0.051 1.00 0.00 O ATOM 0 H ASP 1 76 12.768 -10.356 0.935 1.00 0.00 H new ATOM 0 HA ASP 1 76 14.257 -9.493 -1.353 1.00 0.00 H new ATOM 0 HB2 ASP 1 76 14.878 -10.351 1.110 1.00 0.00 H new ATOM 0 HB3 ASP 1 76 14.896 -11.913 0.315 1.00 0.00 H new ATOM 1243 N LYS 1 77 12.787 -12.423 -1.329 1.00 0.00 N ATOM 1244 CA LYS 1 77 12.319 -13.569 -2.115 1.00 0.00 C ATOM 1245 C LYS 1 77 11.388 -13.145 -3.248 1.00 0.00 C ATOM 1246 O LYS 1 77 11.513 -13.626 -4.377 1.00 0.00 O ATOM 1247 CB LYS 1 77 11.609 -14.592 -1.217 1.00 0.00 C ATOM 1248 CG LYS 1 77 12.535 -15.317 -0.251 1.00 0.00 C ATOM 1249 CD LYS 1 77 11.914 -16.611 0.248 1.00 0.00 C ATOM 1250 CE LYS 1 77 12.859 -17.363 1.171 1.00 0.00 C ATOM 1251 NZ LYS 1 77 12.279 -18.656 1.629 1.00 0.00 N ATOM 0 H LYS 1 77 12.445 -12.424 -0.368 1.00 0.00 H new ATOM 0 HA LYS 1 77 13.202 -14.030 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 10.833 -14.082 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 11.110 -15.328 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 13.482 -15.533 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 12.759 -14.669 0.596 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 10.986 -16.391 0.776 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 11.654 -17.243 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 13.799 -17.551 0.653 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 13.091 -16.742 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 12.955 -19.137 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 11.395 -18.476 2.146 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 12.082 -19.259 0.805 1.00 0.00 H new ATOM 1265 N VAL 1 78 10.488 -12.209 -2.938 1.00 0.00 N ATOM 1266 CA VAL 1 78 9.512 -11.696 -3.910 1.00 0.00 C ATOM 1267 C VAL 1 78 10.176 -10.723 -4.903 1.00 0.00 C ATOM 1268 O VAL 1 78 9.765 -10.647 -6.064 1.00 0.00 O ATOM 1269 CB VAL 1 78 8.287 -11.024 -3.208 1.00 0.00 C ATOM 1270 CG1 VAL 1 78 7.270 -10.497 -4.221 1.00 0.00 C ATOM 1271 CG2 VAL 1 78 7.601 -12.010 -2.267 1.00 0.00 C ATOM 0 H VAL 1 78 10.413 -11.786 -2.013 1.00 0.00 H new ATOM 0 HA VAL 1 78 9.137 -12.553 -4.470 1.00 0.00 H new ATOM 0 HB VAL 1 78 8.670 -10.179 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL 1 78 6.435 -10.038 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL 1 78 7.746 -9.755 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL 1 78 6.904 -11.322 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL 1 78 6.751 -11.524 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL 1 78 7.253 -12.873 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL 1 78 8.308 -12.338 -1.505 1.00 0.00 H new ATOM 1281 N LEU 1 79 11.193 -9.981 -4.431 1.00 0.00 N ATOM 1282 CA LEU 1 79 11.933 -9.033 -5.242 1.00 0.00 C ATOM 1283 C LEU 1 79 12.694 -9.729 -6.376 1.00 0.00 C ATOM 1284 O LEU 1 79 12.818 -9.181 -7.476 1.00 0.00 O ATOM 1285 CB LEU 1 79 12.902 -8.317 -4.307 1.00 0.00 C ATOM 1286 CG LEU 1 79 13.172 -6.826 -4.545 1.00 0.00 C ATOM 1287 CD1 LEU 1 79 14.032 -6.598 -5.785 1.00 0.00 C ATOM 1288 CD2 LEU 1 79 11.880 -6.011 -4.624 1.00 0.00 C ATOM 0 H LEU 1 79 11.518 -10.032 -3.465 1.00 0.00 H new ATOM 0 HA LEU 1 79 11.249 -8.331 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU 1 79 12.527 -8.429 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU 1 79 13.857 -8.840 -4.354 1.00 0.00 H new ATOM 0 HG LEU 1 79 13.731 -6.472 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU 1 79 14.201 -5.530 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU 1 79 14.990 -7.104 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU 1 79 13.521 -6.997 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU 1 79 12.122 -4.962 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU 1 79 11.267 -6.380 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU 1 79 11.329 -6.110 -3.688 1.00 0.00 H new ATOM 1300 N GLY 1 80 13.191 -10.946 -6.090 1.00 0.00 N ATOM 1301 CA GLY 1 80 13.917 -11.730 -7.076 1.00 0.00 C ATOM 1302 C GLY 1 80 13.016 -12.348 -8.133 1.00 0.00 C ATOM 1303 O GLY 1 80 13.484 -12.724 -9.212 1.00 0.00 O ATOM 0 H GLY 1 80 13.097 -11.398 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY 1 80 14.655 -11.094 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY 1 80 14.466 -12.523 -6.568 1.00 0.00 H new ATOM 1307 N GLN 1 81 11.729 -12.459 -7.804 1.00 0.00 N ATOM 1308 CA GLN 1 81 10.733 -13.005 -8.698 1.00 0.00 C ATOM 1309 C GLN 1 81 9.947 -11.867 -9.384 1.00 0.00 C ATOM 1310 O GLN 1 81 9.029 -11.294 -8.783 1.00 0.00 O ATOM 1311 CB GLN 1 81 9.811 -13.911 -7.888 1.00 0.00 C ATOM 1312 CG GLN 1 81 10.463 -15.226 -7.487 1.00 0.00 C ATOM 1313 CD GLN 1 81 10.254 -16.326 -8.510 1.00 0.00 C ATOM 1314 OE1 GLN 1 81 11.047 -16.488 -9.437 1.00 0.00 O ATOM 1315 NE2 GLN 1 81 9.178 -17.088 -8.346 1.00 0.00 N ATOM 0 H GLN 1 81 11.355 -12.168 -6.901 1.00 0.00 H new ATOM 0 HA GLN 1 81 11.208 -13.588 -9.487 1.00 0.00 H new ATOM 0 HB2 GLN 1 81 9.491 -13.383 -6.990 1.00 0.00 H new ATOM 0 HB3 GLN 1 81 8.914 -14.121 -8.471 1.00 0.00 H new ATOM 0 HG2 GLN 1 81 11.532 -15.067 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN 1 81 10.059 -15.548 -6.527 1.00 0.00 H new ATOM 0 HE21 GLN 1 81 8.547 -16.918 -7.563 1.00 0.00 H new ATOM 0 HE22 GLN 1 81 8.983 -17.843 -9.003 1.00 0.00 H new ATOM 1324 N PRO 1 82 10.315 -11.493 -10.652 1.00 0.00 N ATOM 1325 CA PRO 1 82 9.643 -10.408 -11.395 1.00 0.00 C ATOM 1326 C PRO 1 82 8.280 -10.802 -11.976 1.00 0.00 C ATOM 1327 O PRO 1 82 7.367 -9.973 -12.029 1.00 0.00 O ATOM 1328 CB PRO 1 82 10.619 -10.079 -12.542 1.00 0.00 C ATOM 1329 CG PRO 1 82 11.843 -10.903 -12.302 1.00 0.00 C ATOM 1330 CD PRO 1 82 11.415 -12.065 -11.457 1.00 0.00 C ATOM 0 HA PRO 1 82 9.429 -9.572 -10.729 1.00 0.00 H new ATOM 0 HB2 PRO 1 82 10.175 -10.315 -13.509 1.00 0.00 H new ATOM 0 HB3 PRO 1 82 10.862 -9.016 -12.553 1.00 0.00 H new ATOM 0 HG2 PRO 1 82 12.271 -11.245 -13.244 1.00 0.00 H new ATOM 0 HG3 PRO 1 82 12.611 -10.318 -11.797 1.00 0.00 H new ATOM 0 HD2 PRO 1 82 11.078 -12.905 -12.064 1.00 0.00 H new ATOM 0 HD3 PRO 1 82 12.228 -12.431 -10.830 1.00 0.00 H new ATOM 1338 N HIS 1 83 8.144 -12.067 -12.396 1.00 0.00 N ATOM 1339 CA HIS 1 83 6.904 -12.563 -12.992 1.00 0.00 C ATOM 1340 C HIS 1 83 5.939 -13.099 -11.928 1.00 0.00 C ATOM 1341 O HIS 1 83 6.307 -13.955 -11.117 1.00 0.00 O ATOM 1342 CB HIS 1 83 7.232 -13.655 -14.015 1.00 0.00 C ATOM 1343 CG HIS 1 83 6.205 -13.798 -15.100 1.00 0.00 C ATOM 1344 ND1 HIS 1 83 6.066 -12.887 -16.126 1.00 0.00 N ATOM 1345 CD2 HIS 1 83 5.263 -14.749 -15.313 1.00 0.00 C ATOM 1346 CE1 HIS 1 83 5.081 -13.267 -16.920 1.00 0.00 C ATOM 1347 NE2 HIS 1 83 4.579 -14.394 -16.450 1.00 0.00 N ATOM 0 H HIS 1 83 8.884 -12.766 -12.332 1.00 0.00 H new ATOM 0 HA HIS 1 83 6.407 -11.731 -13.491 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 8.198 -13.436 -14.469 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 7.333 -14.608 -13.495 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 5.084 -15.622 -14.703 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 4.744 -12.745 -17.803 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 3.807 -14.917 -16.864 1.00 0.00 H new ATOM 1356 N HIS 1 84 4.713 -12.560 -11.936 1.00 0.00 N ATOM 1357 CA HIS 1 84 3.659 -12.954 -11.013 1.00 0.00 C ATOM 1358 C HIS 1 84 2.364 -13.139 -11.793 1.00 0.00 C ATOM 1359 O HIS 1 84 1.873 -12.198 -12.430 1.00 0.00 O ATOM 1360 CB HIS 1 84 3.480 -11.887 -9.935 1.00 0.00 C ATOM 1361 CG HIS 1 84 3.161 -12.450 -8.585 1.00 0.00 C ATOM 1362 ND1 HIS 1 84 4.115 -12.658 -7.611 1.00 0.00 N ATOM 1363 CD2 HIS 1 84 1.986 -12.860 -8.051 1.00 0.00 C ATOM 1364 CE1 HIS 1 84 3.542 -13.172 -6.538 1.00 0.00 C ATOM 1365 NE2 HIS 1 84 2.252 -13.304 -6.780 1.00 0.00 N ATOM 0 H HIS 1 84 4.430 -11.832 -12.592 1.00 0.00 H new ATOM 0 HA HIS 1 84 3.928 -13.891 -10.526 1.00 0.00 H new ATOM 0 HB2 HIS 1 84 4.392 -11.294 -9.866 1.00 0.00 H new ATOM 0 HB3 HIS 1 84 2.681 -11.209 -10.235 1.00 0.00 H new ATOM 0 HD2 HIS 1 84 1.021 -12.841 -8.535 1.00 0.00 H new ATOM 0 HE1 HIS 1 84 4.044 -13.439 -5.620 1.00 0.00 H new ATOM 0 HE2 HIS 1 84 1.563 -13.676 -6.127 1.00 0.00 H new ATOM 1374 N GLU 1 85 1.827 -14.352 -11.746 1.00 0.00 N ATOM 1375 CA GLU 1 85 0.623 -14.682 -12.443 1.00 0.00 C ATOM 1376 C GLU 1 85 -0.483 -15.030 -11.465 1.00 0.00 C ATOM 1377 O GLU 1 85 -0.291 -15.773 -10.499 1.00 0.00 O ATOM 1378 CB GLU 1 85 0.869 -15.843 -13.412 1.00 0.00 C ATOM 1379 CG GLU 1 85 0.037 -15.770 -14.682 1.00 0.00 C ATOM 1380 CD GLU 1 85 0.355 -16.889 -15.654 1.00 0.00 C ATOM 1381 OE1 GLU 1 85 -0.233 -17.983 -15.513 1.00 0.00 O ATOM 1382 OE2 GLU 1 85 1.191 -16.673 -16.556 1.00 0.00 O ATOM 0 H GLU 1 85 2.228 -15.127 -11.217 1.00 0.00 H new ATOM 0 HA GLU 1 85 0.308 -13.811 -13.018 1.00 0.00 H new ATOM 0 HB2 GLU 1 85 1.925 -15.861 -13.681 1.00 0.00 H new ATOM 0 HB3 GLU 1 85 0.654 -16.782 -12.901 1.00 0.00 H new ATOM 0 HG2 GLU 1 85 -1.021 -15.810 -14.422 1.00 0.00 H new ATOM 0 HG3 GLU 1 85 0.209 -14.811 -15.170 1.00 0.00 H new ATOM 1389 N LEU 1 86 -1.634 -14.458 -11.758 1.00 0.00 N ATOM 1390 CA LEU 1 86 -2.851 -14.621 -11.019 1.00 0.00 C ATOM 1391 C LEU 1 86 -3.993 -14.594 -12.022 1.00 0.00 C ATOM 1392 O LEU 1 86 -4.041 -13.734 -12.902 1.00 0.00 O ATOM 1393 CB LEU 1 86 -2.998 -13.486 -9.999 1.00 0.00 C ATOM 1394 CG LEU 1 86 -4.379 -13.326 -9.366 1.00 0.00 C ATOM 1395 CD1 LEU 1 86 -4.565 -14.261 -8.178 1.00 0.00 C ATOM 1396 CD2 LEU 1 86 -4.613 -11.881 -8.959 1.00 0.00 C ATOM 0 H LEU 1 86 -1.741 -13.837 -12.560 1.00 0.00 H new ATOM 0 HA LEU 1 86 -2.853 -15.562 -10.469 1.00 0.00 H new ATOM 0 HB2 LEU 1 86 -2.272 -13.645 -9.202 1.00 0.00 H new ATOM 0 HB3 LEU 1 86 -2.734 -12.549 -10.489 1.00 0.00 H new ATOM 0 HG LEU 1 86 -5.122 -13.601 -10.115 1.00 0.00 H new ATOM 0 HD11 LEU 1 86 -5.559 -14.118 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU 1 86 -4.456 -15.294 -8.508 1.00 0.00 H new ATOM 0 HD13 LEU 1 86 -3.813 -14.041 -7.420 1.00 0.00 H new ATOM 0 HD21 LEU 1 86 -5.602 -11.785 -8.510 1.00 0.00 H new ATOM 0 HD22 LEU 1 86 -3.855 -11.579 -8.236 1.00 0.00 H new ATOM 0 HD23 LEU 1 86 -4.551 -11.241 -9.839 1.00 0.00 H new ATOM 1408 N ASP 1 87 -4.907 -15.543 -11.860 1.00 0.00 N ATOM 1409 CA ASP 1 87 -6.092 -15.724 -12.722 1.00 0.00 C ATOM 1410 C ASP 1 87 -5.714 -15.783 -14.204 1.00 0.00 C ATOM 1411 O ASP 1 87 -6.428 -15.301 -15.093 1.00 0.00 O ATOM 1412 CB ASP 1 87 -7.051 -14.599 -12.435 1.00 0.00 C ATOM 1413 CG ASP 1 87 -8.467 -14.843 -12.936 1.00 0.00 C ATOM 1414 OD1 ASP 1 87 -8.755 -14.485 -14.098 1.00 0.00 O ATOM 1415 OD2 ASP 1 87 -9.283 -15.392 -12.167 1.00 0.00 O ATOM 0 H ASP 1 87 -4.853 -16.231 -11.109 1.00 0.00 H new ATOM 0 HA ASP 1 87 -6.567 -16.680 -12.499 1.00 0.00 H new ATOM 0 HB2 ASP 1 87 -7.083 -14.429 -11.359 1.00 0.00 H new ATOM 0 HB3 ASP 1 87 -6.669 -13.686 -12.891 1.00 0.00 H new ATOM 1420 N SER 1 88 -4.572 -16.418 -14.420 1.00 0.00 N ATOM 1421 CA SER 1 88 -3.955 -16.624 -15.752 1.00 0.00 C ATOM 1422 C SER 1 88 -3.442 -15.304 -16.360 1.00 0.00 C ATOM 1423 O SER 1 88 -3.045 -15.265 -17.531 1.00 0.00 O ATOM 1424 CB SER 1 88 -4.916 -17.335 -16.726 1.00 0.00 C ATOM 1425 OG SER 1 88 -5.229 -18.641 -16.272 1.00 0.00 O ATOM 0 H SER 1 88 -4.022 -16.821 -13.662 1.00 0.00 H new ATOM 0 HA SER 1 88 -3.094 -17.275 -15.597 1.00 0.00 H new ATOM 0 HB2 SER 1 88 -5.832 -16.753 -16.828 1.00 0.00 H new ATOM 0 HB3 SER 1 88 -4.461 -17.390 -17.715 1.00 0.00 H new ATOM 0 HG SER 1 88 -5.841 -19.070 -16.906 1.00 0.00 H new ATOM 1431 N LYS 1 89 -3.434 -14.232 -15.548 1.00 0.00 N ATOM 1432 CA LYS 1 89 -2.963 -12.935 -15.986 1.00 0.00 C ATOM 1433 C LYS 1 89 -1.860 -12.441 -15.072 1.00 0.00 C ATOM 1434 O LYS 1 89 -1.792 -12.779 -13.889 1.00 0.00 O ATOM 1435 CB LYS 1 89 -4.089 -11.884 -16.095 1.00 0.00 C ATOM 1436 CG LYS 1 89 -5.204 -11.984 -15.055 1.00 0.00 C ATOM 1437 CD LYS 1 89 -6.319 -10.991 -15.346 1.00 0.00 C ATOM 1438 CE LYS 1 89 -7.433 -11.083 -14.317 1.00 0.00 C ATOM 1439 NZ LYS 1 89 -8.548 -10.144 -14.620 1.00 0.00 N ATOM 0 H LYS 1 89 -3.754 -14.254 -14.580 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.569 -13.069 -16.993 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.641 -10.893 -16.024 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.536 -11.962 -17.086 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.608 -12.996 -15.047 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.796 -11.796 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -5.913 -9.979 -15.354 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.725 -11.180 -16.340 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -7.816 -12.103 -14.287 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -7.032 -10.863 -13.327 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -9.288 -10.238 -13.895 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -8.189 -9.168 -14.624 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -8.948 -10.369 -15.553 1.00 0.00 H new ATOM 1453 N THR 1 90 -1.014 -11.632 -15.666 1.00 0.00 N ATOM 1454 CA THR 1 90 0.156 -11.039 -15.007 1.00 0.00 C ATOM 1455 C THR 1 90 -0.226 -9.808 -14.167 1.00 0.00 C ATOM 1456 O THR 1 90 -0.857 -8.876 -14.674 1.00 0.00 O ATOM 1457 CB THR 1 90 1.221 -10.637 -16.060 1.00 0.00 C ATOM 1458 OG1 THR 1 90 1.287 -11.625 -17.098 1.00 0.00 O ATOM 1459 CG2 THR 1 90 2.609 -10.483 -15.438 1.00 0.00 C ATOM 0 H THR 1 90 -1.111 -11.354 -16.642 1.00 0.00 H new ATOM 0 HA THR 1 90 0.569 -11.793 -14.337 1.00 0.00 H new ATOM 0 HB THR 1 90 0.917 -9.674 -16.472 1.00 0.00 H new ATOM 0 HG1 THR 1 90 1.961 -11.361 -17.759 1.00 0.00 H new ATOM 0 HG21 THR 1 90 3.325 -10.201 -16.210 1.00 0.00 H new ATOM 0 HG22 THR 1 90 2.580 -9.710 -14.670 1.00 0.00 H new ATOM 0 HG23 THR 1 90 2.914 -11.428 -14.989 1.00 0.00 H new ATOM 1467 N ILE 1 91 0.174 -9.825 -12.890 1.00 0.00 N ATOM 1468 CA ILE 1 91 -0.096 -8.716 -11.961 1.00 0.00 C ATOM 1469 C ILE 1 91 1.226 -8.030 -11.578 1.00 0.00 C ATOM 1470 O ILE 1 91 2.298 -8.583 -11.847 1.00 0.00 O ATOM 1471 CB ILE 1 91 -0.946 -9.178 -10.735 1.00 0.00 C ATOM 1472 CG1 ILE 1 91 -0.247 -10.214 -9.852 1.00 0.00 C ATOM 1473 CG2 ILE 1 91 -2.275 -9.743 -11.236 1.00 0.00 C ATOM 1474 CD1 ILE 1 91 -0.940 -10.440 -8.514 1.00 0.00 C ATOM 0 H ILE 1 91 0.690 -10.600 -12.472 1.00 0.00 H new ATOM 0 HA ILE 1 91 -0.714 -7.969 -12.460 1.00 0.00 H new ATOM 0 HB ILE 1 91 -1.100 -8.300 -10.108 1.00 0.00 H new ATOM 0 HG12 ILE 1 91 -0.194 -11.161 -10.389 1.00 0.00 H new ATOM 0 HG13 ILE 1 91 0.779 -9.893 -9.671 1.00 0.00 H new ATOM 0 HG21 ILE 1 91 -2.875 -10.068 -10.386 1.00 0.00 H new ATOM 0 HG22 ILE 1 91 -2.814 -8.972 -11.787 1.00 0.00 H new ATOM 0 HG23 ILE 1 91 -2.085 -10.592 -11.892 1.00 0.00 H new ATOM 0 HD11 ILE 1 91 -0.390 -11.186 -7.941 1.00 0.00 H new ATOM 0 HD12 ILE 1 91 -0.969 -9.504 -7.957 1.00 0.00 H new ATOM 0 HD13 ILE 1 91 -1.957 -10.792 -8.686 1.00 0.00 H new ATOM 1486 N ASP 1 92 1.171 -6.835 -10.964 1.00 0.00 N ATOM 1487 CA ASP 1 92 2.401 -6.104 -10.669 1.00 0.00 C ATOM 1488 C ASP 1 92 2.698 -5.924 -9.162 1.00 0.00 C ATOM 1489 O ASP 1 92 2.225 -4.960 -8.548 1.00 0.00 O ATOM 1490 CB ASP 1 92 2.332 -4.744 -11.372 1.00 0.00 C ATOM 1491 CG ASP 1 92 3.698 -4.116 -11.603 1.00 0.00 C ATOM 1492 OD1 ASP 1 92 4.171 -4.132 -12.758 1.00 0.00 O ATOM 1493 OD2 ASP 1 92 4.293 -3.613 -10.627 1.00 0.00 O ATOM 0 H ASP 1 92 0.311 -6.371 -10.672 1.00 0.00 H new ATOM 0 HA ASP 1 92 3.230 -6.705 -11.043 1.00 0.00 H new ATOM 0 HB2 ASP 1 92 1.828 -4.864 -12.331 1.00 0.00 H new ATOM 0 HB3 ASP 1 92 1.724 -4.065 -10.775 1.00 0.00 H new ATOM 1498 N PRO 1 93 3.464 -6.867 -8.527 1.00 0.00 N ATOM 1499 CA PRO 1 93 3.873 -6.732 -7.122 1.00 0.00 C ATOM 1500 C PRO 1 93 5.119 -5.845 -6.994 1.00 0.00 C ATOM 1501 O PRO 1 93 6.151 -6.125 -7.616 1.00 0.00 O ATOM 1502 CB PRO 1 93 4.178 -8.178 -6.680 1.00 0.00 C ATOM 1503 CG PRO 1 93 3.915 -9.049 -7.873 1.00 0.00 C ATOM 1504 CD PRO 1 93 3.938 -8.151 -9.080 1.00 0.00 C ATOM 0 HA PRO 1 93 3.107 -6.259 -6.508 1.00 0.00 H new ATOM 0 HB2 PRO 1 93 5.212 -8.273 -6.350 1.00 0.00 H new ATOM 0 HB3 PRO 1 93 3.547 -8.469 -5.840 1.00 0.00 H new ATOM 0 HG2 PRO 1 93 4.672 -9.829 -7.957 1.00 0.00 H new ATOM 0 HG3 PRO 1 93 2.951 -9.549 -7.782 1.00 0.00 H new ATOM 0 HD2 PRO 1 93 4.938 -8.066 -9.505 1.00 0.00 H new ATOM 0 HD3 PRO 1 93 3.286 -8.518 -9.872 1.00 0.00 H new ATOM 1512 N LYS 1 94 5.018 -4.779 -6.187 1.00 0.00 N ATOM 1513 CA LYS 1 94 6.140 -3.839 -6.000 1.00 0.00 C ATOM 1514 C LYS 1 94 6.230 -3.316 -4.564 1.00 0.00 C ATOM 1515 O LYS 1 94 5.215 -2.993 -3.948 1.00 0.00 O ATOM 1516 CB LYS 1 94 6.046 -2.661 -6.999 1.00 0.00 C ATOM 1517 CG LYS 1 94 4.675 -1.985 -7.080 1.00 0.00 C ATOM 1518 CD LYS 1 94 4.427 -1.406 -8.462 1.00 0.00 C ATOM 1519 CE LYS 1 94 3.078 -0.710 -8.543 1.00 0.00 C ATOM 1520 NZ LYS 1 94 2.798 -0.198 -9.912 1.00 0.00 N ATOM 0 H LYS 1 94 4.179 -4.545 -5.656 1.00 0.00 H new ATOM 0 HA LYS 1 94 7.054 -4.398 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS 1 94 6.788 -1.911 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS 1 94 6.314 -3.024 -7.991 1.00 0.00 H new ATOM 0 HG2 LYS 1 94 3.896 -2.709 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS 1 94 4.613 -1.192 -6.335 1.00 0.00 H new ATOM 0 HD2 LYS 1 94 5.218 -0.697 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS 1 94 4.471 -2.203 -9.204 1.00 0.00 H new ATOM 0 HE2 LYS 1 94 2.292 -1.406 -8.248 1.00 0.00 H new ATOM 0 HE3 LYS 1 94 3.053 0.118 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS 1 94 1.869 0.270 -9.925 1.00 0.00 H new ATOM 0 HZ2 LYS 1 94 3.533 0.485 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS 1 94 2.796 -0.991 -10.585 1.00 0.00 H new ATOM 1534 N VAL 1 95 7.471 -3.193 -4.069 1.00 0.00 N ATOM 1535 CA VAL 1 95 7.746 -2.725 -2.701 1.00 0.00 C ATOM 1536 C VAL 1 95 7.812 -1.188 -2.625 1.00 0.00 C ATOM 1537 O VAL 1 95 8.415 -0.542 -3.483 1.00 0.00 O ATOM 1538 CB VAL 1 95 9.075 -3.299 -2.151 1.00 0.00 C ATOM 1539 CG1 VAL 1 95 9.133 -3.210 -0.626 1.00 0.00 C ATOM 1540 CG2 VAL 1 95 9.316 -4.739 -2.597 1.00 0.00 C ATOM 0 H VAL 1 95 8.311 -3.414 -4.604 1.00 0.00 H new ATOM 0 HA VAL 1 95 6.917 -3.084 -2.091 1.00 0.00 H new ATOM 0 HB VAL 1 95 9.869 -2.682 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL 1 95 10.079 -3.621 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL 1 95 9.054 -2.167 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL 1 95 8.308 -3.778 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL 1 95 10.260 -5.094 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL 1 95 8.503 -5.371 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL 1 95 9.357 -4.781 -3.685 1.00 0.00 H new ATOM 1550 N ALA 1 96 7.182 -0.628 -1.568 1.00 0.00 N ATOM 1551 CA ALA 1 96 7.151 0.830 -1.272 1.00 0.00 C ATOM 1552 C ALA 1 96 6.715 1.731 -2.450 1.00 0.00 C ATOM 1553 O ALA 1 96 6.678 1.302 -3.607 1.00 0.00 O ATOM 1554 CB ALA 1 96 8.508 1.277 -0.730 1.00 0.00 C ATOM 0 H ALA 1 96 6.670 -1.183 -0.882 1.00 0.00 H new ATOM 0 HA ALA 1 96 6.373 0.960 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 8.480 2.345 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 8.733 0.728 0.185 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 9.280 1.077 -1.473 1.00 0.00 H new ATOM 1560 N PHE 1 97 6.380 2.989 -2.114 1.00 0.00 N ATOM 1561 CA PHE 1 97 5.947 3.992 -3.089 1.00 0.00 C ATOM 1562 C PHE 1 97 7.091 4.958 -3.458 1.00 0.00 C ATOM 1563 O PHE 1 97 7.648 5.610 -2.567 1.00 0.00 O ATOM 1564 CB PHE 1 97 4.779 4.796 -2.513 1.00 0.00 C ATOM 1565 CG PHE 1 97 3.467 4.480 -3.158 1.00 0.00 C ATOM 1566 CD1 PHE 1 97 2.736 3.382 -2.750 1.00 0.00 C ATOM 1567 CD2 PHE 1 97 2.974 5.272 -4.180 1.00 0.00 C ATOM 1568 CE1 PHE 1 97 1.532 3.077 -3.350 1.00 0.00 C ATOM 1569 CE2 PHE 1 97 1.767 4.974 -4.783 1.00 0.00 C ATOM 1570 CZ PHE 1 97 1.046 3.873 -4.368 1.00 0.00 C ATOM 0 H PHE 1 97 6.404 3.335 -1.155 1.00 0.00 H new ATOM 0 HA PHE 1 97 5.638 3.467 -3.993 1.00 0.00 H new ATOM 0 HB2 PHE 1 97 4.706 4.601 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE 1 97 4.987 5.860 -2.630 1.00 0.00 H new ATOM 0 HD1 PHE 1 97 3.110 2.756 -1.954 1.00 0.00 H new ATOM 0 HD2 PHE 1 97 3.538 6.132 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE 1 97 0.969 2.215 -3.023 1.00 0.00 H new ATOM 0 HE2 PHE 1 97 1.389 5.601 -5.577 1.00 0.00 H new ATOM 0 HZ PHE 1 97 0.104 3.635 -4.839 1.00 0.00 H new ATOM 1580 N PRO 1 98 7.481 5.064 -4.769 1.00 0.00 N ATOM 1581 CA PRO 1 98 8.545 5.988 -5.211 1.00 0.00 C ATOM 1582 C PRO 1 98 8.046 7.432 -5.335 1.00 0.00 C ATOM 1583 O PRO 1 98 6.850 7.664 -5.533 1.00 0.00 O ATOM 1584 CB PRO 1 98 8.951 5.453 -6.598 1.00 0.00 C ATOM 1585 CG PRO 1 98 8.182 4.186 -6.794 1.00 0.00 C ATOM 1586 CD PRO 1 98 6.971 4.287 -5.918 1.00 0.00 C ATOM 0 HA PRO 1 98 9.367 6.020 -4.495 1.00 0.00 H new ATOM 0 HB2 PRO 1 98 8.716 6.176 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO 1 98 10.024 5.269 -6.646 1.00 0.00 H new ATOM 0 HG2 PRO 1 98 7.897 4.063 -7.839 1.00 0.00 H new ATOM 0 HG3 PRO 1 98 8.786 3.319 -6.524 1.00 0.00 H new ATOM 0 HD2 PRO 1 98 6.147 4.795 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO 1 98 6.604 3.306 -5.616 1.00 0.00 H new ATOM 1594 N ARG 1 99 8.974 8.392 -5.225 1.00 0.00 N ATOM 1595 CA ARG 1 99 8.640 9.821 -5.320 1.00 0.00 C ATOM 1596 C ARG 1 99 8.805 10.330 -6.757 1.00 0.00 C ATOM 1597 O ARG 1 99 9.898 10.257 -7.328 1.00 0.00 O ATOM 1598 CB ARG 1 99 9.518 10.645 -4.366 1.00 0.00 C ATOM 1599 CG ARG 1 99 9.186 10.448 -2.892 1.00 0.00 C ATOM 1600 CD ARG 1 99 9.964 11.410 -2.004 1.00 0.00 C ATOM 1601 NE ARG 1 99 9.414 12.771 -2.046 1.00 0.00 N ATOM 1602 CZ ARG 1 99 10.052 13.869 -1.617 1.00 0.00 C ATOM 1603 NH1 ARG 1 99 11.278 13.798 -1.100 1.00 0.00 N ATOM 1604 NH2 ARG 1 99 9.453 15.050 -1.705 1.00 0.00 N ATOM 0 H ARG 1 99 9.965 8.205 -5.070 1.00 0.00 H new ATOM 0 HA ARG 1 99 7.596 9.940 -5.030 1.00 0.00 H new ATOM 0 HB2 ARG 1 99 10.563 10.381 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG 1 99 9.413 11.701 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG 1 99 8.117 10.594 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG 1 99 9.412 9.422 -2.602 1.00 0.00 H new ATOM 0 HD2 ARG 1 99 9.950 11.046 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG 1 99 11.007 11.431 -2.320 1.00 0.00 H new ATOM 0 HE ARG 1 99 8.477 12.890 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG 1 99 11.748 12.896 -1.025 1.00 0.00 H new ATOM 0 HH12 ARG 1 99 11.746 14.646 -0.779 1.00 0.00 H new ATOM 0 HH21 ARG 1 99 8.514 15.117 -2.097 1.00 0.00 H new ATOM 0 HH22 ARG 1 99 9.932 15.890 -1.381 1.00 0.00 H new ATOM 1618 N ARG 1 100 7.700 10.830 -7.336 1.00 0.00 N ATOM 1619 CA ARG 1 100 7.694 11.359 -8.710 1.00 0.00 C ATOM 1620 C ARG 1 100 6.661 12.475 -8.868 1.00 0.00 C ATOM 1621 O ARG 1 100 5.538 12.365 -8.368 1.00 0.00 O ATOM 1622 CB ARG 1 100 7.404 10.240 -9.726 1.00 0.00 C ATOM 1623 CG ARG 1 100 8.653 9.510 -10.211 1.00 0.00 C ATOM 1624 CD ARG 1 100 9.262 10.189 -11.431 1.00 0.00 C ATOM 1625 NE ARG 1 100 10.559 9.611 -11.800 1.00 0.00 N ATOM 1626 CZ ARG 1 100 11.261 9.952 -12.891 1.00 0.00 C ATOM 1627 NH1 ARG 1 100 10.809 10.872 -13.742 1.00 0.00 N ATOM 1628 NH2 ARG 1 100 12.429 9.370 -13.127 1.00 0.00 N ATOM 0 H ARG 1 100 6.794 10.879 -6.870 1.00 0.00 H new ATOM 0 HA ARG 1 100 8.685 11.770 -8.905 1.00 0.00 H new ATOM 0 HB2 ARG 1 100 6.725 9.518 -9.273 1.00 0.00 H new ATOM 0 HB3 ARG 1 100 6.887 10.667 -10.585 1.00 0.00 H new ATOM 0 HG2 ARG 1 100 9.389 9.475 -9.408 1.00 0.00 H new ATOM 0 HG3 ARG 1 100 8.400 8.479 -10.457 1.00 0.00 H new ATOM 0 HD2 ARG 1 100 8.575 10.102 -12.273 1.00 0.00 H new ATOM 0 HD3 ARG 1 100 9.385 11.253 -11.228 1.00 0.00 H new ATOM 0 HE ARG 1 100 10.954 8.900 -11.184 1.00 0.00 H new ATOM 0 HH11 ARG 1 100 9.914 11.331 -13.569 1.00 0.00 H new ATOM 0 HH12 ARG 1 100 11.358 11.118 -14.566 1.00 0.00 H new ATOM 0 HH21 ARG 1 100 12.789 8.668 -12.481 1.00 0.00 H new ATOM 0 HH22 ARG 1 100 12.968 9.625 -13.955 1.00 0.00 H new ATOM 1642 N ALA 1 101 7.062 13.549 -9.568 1.00 0.00 N ATOM 1643 CA ALA 1 101 6.204 14.707 -9.812 1.00 0.00 C ATOM 1644 C ALA 1 101 5.208 14.461 -10.959 1.00 0.00 C ATOM 1645 O ALA 1 101 5.285 13.438 -11.647 1.00 0.00 O ATOM 1646 CB ALA 1 101 7.060 15.937 -10.100 1.00 0.00 C ATOM 0 H ALA 1 101 7.992 13.633 -9.979 1.00 0.00 H new ATOM 0 HA ALA 1 101 5.616 14.879 -8.911 1.00 0.00 H new ATOM 0 HB1 ALA 1 101 6.414 16.796 -10.281 1.00 0.00 H new ATOM 0 HB2 ALA 1 101 7.704 16.141 -9.244 1.00 0.00 H new ATOM 0 HB3 ALA 1 101 7.675 15.754 -10.981 1.00 0.00 H new ATOM 1652 N GLN 1 102 4.282 15.413 -11.151 1.00 0.00 N ATOM 1653 CA GLN 1 102 3.260 15.319 -12.201 1.00 0.00 C ATOM 1654 C GLN 1 102 3.448 16.412 -13.269 1.00 0.00 C ATOM 1655 O GLN 1 102 3.480 17.600 -12.929 1.00 0.00 O ATOM 1656 CB GLN 1 102 1.856 15.425 -11.596 1.00 0.00 C ATOM 1657 CG GLN 1 102 1.381 14.154 -10.910 1.00 0.00 C ATOM 1658 CD GLN 1 102 -0.063 14.241 -10.459 1.00 0.00 C ATOM 1659 OE1 GLN 1 102 -0.980 13.890 -11.203 1.00 0.00 O ATOM 1660 NE2 GLN 1 102 -0.274 14.712 -9.236 1.00 0.00 N ATOM 0 H GLN 1 102 4.222 16.261 -10.588 1.00 0.00 H new ATOM 0 HA GLN 1 102 3.373 14.347 -12.681 1.00 0.00 H new ATOM 0 HB2 GLN 1 102 1.843 16.242 -10.874 1.00 0.00 H new ATOM 0 HB3 GLN 1 102 1.150 15.685 -12.385 1.00 0.00 H new ATOM 0 HG2 GLN 1 102 1.494 13.312 -11.593 1.00 0.00 H new ATOM 0 HG3 GLN 1 102 2.016 13.952 -10.047 1.00 0.00 H new ATOM 0 HE21 GLN 1 102 0.516 14.991 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN 1 102 -1.226 14.795 -8.879 1.00 0.00 H new ATOM 1669 N PRO 1 103 3.591 16.034 -14.581 1.00 0.00 N ATOM 1670 CA PRO 1 103 3.760 17.012 -15.675 1.00 0.00 C ATOM 1671 C PRO 1 103 2.427 17.643 -16.133 1.00 0.00 C ATOM 1672 O PRO 1 103 1.368 17.331 -15.582 1.00 0.00 O ATOM 1673 CB PRO 1 103 4.390 16.167 -16.791 1.00 0.00 C ATOM 1674 CG PRO 1 103 3.879 14.780 -16.574 1.00 0.00 C ATOM 1675 CD PRO 1 103 3.628 14.635 -15.093 1.00 0.00 C ATOM 0 HA PRO 1 103 4.364 17.868 -15.374 1.00 0.00 H new ATOM 0 HB2 PRO 1 103 4.106 16.541 -17.775 1.00 0.00 H new ATOM 0 HB3 PRO 1 103 5.478 16.197 -16.740 1.00 0.00 H new ATOM 0 HG2 PRO 1 103 2.962 14.613 -17.140 1.00 0.00 H new ATOM 0 HG3 PRO 1 103 4.605 14.043 -16.917 1.00 0.00 H new ATOM 0 HD2 PRO 1 103 2.689 14.116 -14.899 1.00 0.00 H new ATOM 0 HD3 PRO 1 103 4.417 14.057 -14.612 1.00 0.00 H new ATOM 1683 N LYS 1 104 2.500 18.523 -17.148 1.00 0.00 N ATOM 1684 CA LYS 1 104 1.316 19.204 -17.696 1.00 0.00 C ATOM 1685 C LYS 1 104 0.585 18.320 -18.709 1.00 0.00 C ATOM 1686 O LYS 1 104 1.221 17.593 -19.477 1.00 0.00 O ATOM 1687 CB LYS 1 104 1.719 20.523 -18.363 1.00 0.00 C ATOM 1688 CG LYS 1 104 2.071 21.631 -17.381 1.00 0.00 C ATOM 1689 CD LYS 1 104 2.434 22.918 -18.104 1.00 0.00 C ATOM 1690 CE LYS 1 104 2.780 24.030 -17.126 1.00 0.00 C ATOM 1691 NZ LYS 1 104 3.103 25.304 -17.826 1.00 0.00 N ATOM 0 H LYS 1 104 3.374 18.780 -17.607 1.00 0.00 H new ATOM 0 HA LYS 1 104 0.640 19.409 -16.866 1.00 0.00 H new ATOM 0 HB2 LYS 1 104 2.575 20.343 -19.013 1.00 0.00 H new ATOM 0 HB3 LYS 1 104 0.901 20.861 -18.999 1.00 0.00 H new ATOM 0 HG2 LYS 1 104 1.227 21.811 -16.716 1.00 0.00 H new ATOM 0 HG3 LYS 1 104 2.907 21.314 -16.757 1.00 0.00 H new ATOM 0 HD2 LYS 1 104 3.281 22.738 -18.766 1.00 0.00 H new ATOM 0 HD3 LYS 1 104 1.600 23.231 -18.732 1.00 0.00 H new ATOM 0 HE2 LYS 1 104 1.942 24.191 -16.448 1.00 0.00 H new ATOM 0 HE3 LYS 1 104 3.630 23.725 -16.516 1.00 0.00 H new ATOM 0 HZ1 LYS 1 104 3.333 26.037 -17.125 1.00 0.00 H new ATOM 0 HZ2 LYS 1 104 3.919 25.158 -18.454 1.00 0.00 H new ATOM 0 HZ3 LYS 1 104 2.283 25.609 -18.388 1.00 0.00 H new ATOM 1705 N MET 1 105 -0.752 18.397 -18.699 1.00 0.00 N ATOM 1706 CA MET 1 105 -1.596 17.605 -19.605 1.00 0.00 C ATOM 1707 C MET 1 105 -1.912 18.363 -20.895 1.00 0.00 C ATOM 1708 O MET 1 105 -2.312 19.531 -20.855 1.00 0.00 O ATOM 1709 CB MET 1 105 -2.906 17.218 -18.908 1.00 0.00 C ATOM 1710 CG MET 1 105 -2.739 16.173 -17.815 1.00 0.00 C ATOM 1711 SD MET 1 105 -2.175 14.582 -18.453 1.00 0.00 S ATOM 1712 CE MET 1 105 -2.215 13.585 -16.967 1.00 0.00 C ATOM 0 H MET 1 105 -1.276 19.004 -18.069 1.00 0.00 H new ATOM 0 HA MET 1 105 -1.037 16.706 -19.866 1.00 0.00 H new ATOM 0 HB2 MET 1 105 -3.354 18.113 -18.476 1.00 0.00 H new ATOM 0 HB3 MET 1 105 -3.605 16.840 -19.654 1.00 0.00 H new ATOM 0 HG2 MET 1 105 -2.025 16.537 -17.076 1.00 0.00 H new ATOM 0 HG3 MET 1 105 -3.690 16.037 -17.300 1.00 0.00 H new ATOM 0 HE1 MET 1 105 -1.892 12.571 -17.201 1.00 0.00 H new ATOM 0 HE2 MET 1 105 -1.547 14.016 -16.221 1.00 0.00 H new ATOM 0 HE3 MET 1 105 -3.231 13.560 -16.573 1.00 0.00 H new ATOM 1722 N VAL 1 106 -1.711 17.688 -22.032 1.00 0.00 N ATOM 1723 CA VAL 1 106 -1.983 18.264 -23.348 1.00 0.00 C ATOM 1724 C VAL 1 106 -3.329 17.737 -23.876 1.00 0.00 C ATOM 1725 O VAL 1 106 -3.842 16.725 -23.387 1.00 0.00 O ATOM 1726 CB VAL 1 106 -0.848 17.943 -24.369 1.00 0.00 C ATOM 1727 CG1 VAL 1 106 -0.882 18.892 -25.567 1.00 0.00 C ATOM 1728 CG2 VAL 1 106 0.532 17.994 -23.716 1.00 0.00 C ATOM 0 H VAL 1 106 -1.357 16.732 -22.063 1.00 0.00 H new ATOM 0 HA VAL 1 106 -2.028 19.347 -23.236 1.00 0.00 H new ATOM 0 HB VAL 1 106 -1.029 16.928 -24.721 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 -0.077 18.637 -26.256 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.840 18.798 -26.078 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 -0.753 19.918 -25.222 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.295 17.765 -24.460 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 0.707 18.991 -23.312 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.580 17.262 -22.909 1.00 0.00 H new ATOM 1738 N THR 1 107 -3.883 18.429 -24.879 1.00 0.00 N ATOM 1739 CA THR 1 107 -5.151 18.059 -25.481 1.00 0.00 C ATOM 1740 C THR 1 107 -4.929 17.179 -26.721 1.00 0.00 C ATOM 1741 O THR 1 107 -4.717 17.681 -27.831 1.00 0.00 O ATOM 1742 CB THR 1 107 -5.983 19.319 -25.848 1.00 0.00 C ATOM 1743 OG1 THR 1 107 -5.823 20.326 -24.839 1.00 0.00 O ATOM 1744 CG2 THR 1 107 -7.468 18.995 -25.992 1.00 0.00 C ATOM 0 H THR 1 107 -3.458 19.260 -25.290 1.00 0.00 H new ATOM 0 HA THR 1 107 -5.715 17.483 -24.747 1.00 0.00 H new ATOM 0 HB THR 1 107 -5.614 19.683 -26.807 1.00 0.00 H new ATOM 0 HG1 THR 1 107 -6.349 21.117 -25.080 1.00 0.00 H new ATOM 0 HG21 THR 1 107 -8.015 19.902 -26.249 1.00 0.00 H new ATOM 0 HG22 THR 1 107 -7.604 18.254 -26.780 1.00 0.00 H new ATOM 0 HG23 THR 1 107 -7.847 18.597 -25.050 1.00 0.00 H new ATOM 1752 N ARG 1 108 -4.962 15.862 -26.503 1.00 0.00 N ATOM 1753 CA ARG 1 108 -4.772 14.880 -27.574 1.00 0.00 C ATOM 1754 C ARG 1 108 -6.101 14.289 -28.033 1.00 0.00 C ATOM 1755 O ARG 1 108 -6.929 13.891 -27.209 1.00 0.00 O ATOM 1756 CB ARG 1 108 -3.843 13.757 -27.113 1.00 0.00 C ATOM 1757 CG ARG 1 108 -2.367 14.101 -27.220 1.00 0.00 C ATOM 1758 CD ARG 1 108 -1.495 12.895 -26.911 1.00 0.00 C ATOM 1759 NE ARG 1 108 -0.086 13.133 -27.245 1.00 0.00 N ATOM 1760 CZ ARG 1 108 0.761 12.194 -27.691 1.00 0.00 C ATOM 1761 NH1 ARG 1 108 0.362 10.936 -27.868 1.00 0.00 N ATOM 1762 NH2 ARG 1 108 2.017 12.520 -27.963 1.00 0.00 N ATOM 0 H ARG 1 108 -5.120 15.448 -25.584 1.00 0.00 H new ATOM 0 HA ARG 1 108 -4.319 15.401 -28.417 1.00 0.00 H new ATOM 0 HB2 ARG 1 108 -4.075 13.508 -26.077 1.00 0.00 H new ATOM 0 HB3 ARG 1 108 -4.043 12.865 -27.707 1.00 0.00 H new ATOM 0 HG2 ARG 1 108 -2.148 14.463 -28.224 1.00 0.00 H new ATOM 0 HG3 ARG 1 108 -2.129 14.911 -26.530 1.00 0.00 H new ATOM 0 HD2 ARG 1 108 -1.580 12.649 -25.853 1.00 0.00 H new ATOM 0 HD3 ARG 1 108 -1.859 12.032 -27.469 1.00 0.00 H new ATOM 0 HE ARG 1 108 0.275 14.080 -27.130 1.00 0.00 H new ATOM 0 HH11 ARG 1 108 -0.602 10.673 -27.664 1.00 0.00 H new ATOM 0 HH12 ARG 1 108 1.020 10.235 -28.208 1.00 0.00 H new ATOM 0 HH21 ARG 1 108 2.334 13.481 -27.833 1.00 0.00 H new ATOM 0 HH22 ARG 1 108 2.666 11.810 -28.303 1.00 0.00 H new ATOM 1776 N THR 1 109 -6.291 14.239 -29.356 1.00 0.00 N ATOM 1777 CA THR 1 109 -7.512 13.690 -29.957 1.00 0.00 C ATOM 1778 C THR 1 109 -7.271 12.268 -30.487 1.00 0.00 C ATOM 1779 O THR 1 109 -6.180 11.960 -30.975 1.00 0.00 O ATOM 1780 CB THR 1 109 -8.069 14.616 -31.087 1.00 0.00 C ATOM 1781 OG1 THR 1 109 -9.244 14.038 -31.671 1.00 0.00 O ATOM 1782 CG2 THR 1 109 -7.039 14.894 -32.189 1.00 0.00 C ATOM 0 H THR 1 109 -5.609 14.575 -30.036 1.00 0.00 H new ATOM 0 HA THR 1 109 -8.267 13.641 -29.172 1.00 0.00 H new ATOM 0 HB THR 1 109 -8.313 15.568 -30.616 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -9.583 14.628 -32.376 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -7.482 15.542 -32.946 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -6.167 15.384 -31.757 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -6.735 13.954 -32.649 1.00 0.00 H new ATOM 1790 N LYS 1 110 -8.298 11.416 -30.380 1.00 0.00 N ATOM 1791 CA LYS 1 110 -8.221 10.034 -30.845 1.00 0.00 C ATOM 1792 C LYS 1 110 -9.473 9.644 -31.640 1.00 0.00 C ATOM 1793 O LYS 1 110 -9.366 9.106 -32.745 1.00 0.00 O ATOM 1794 CB LYS 1 110 -7.970 9.042 -29.679 1.00 0.00 C ATOM 1795 CG LYS 1 110 -8.871 9.218 -28.450 1.00 0.00 C ATOM 1796 CD LYS 1 110 -8.267 10.188 -27.441 1.00 0.00 C ATOM 1797 CE LYS 1 110 -9.113 10.296 -26.180 1.00 0.00 C ATOM 1798 NZ LYS 1 110 -10.368 11.067 -26.408 1.00 0.00 N ATOM 0 H LYS 1 110 -9.198 11.667 -29.971 1.00 0.00 H new ATOM 0 HA LYS 1 110 -7.363 9.970 -31.514 1.00 0.00 H new ATOM 0 HB2 LYS 1 110 -8.096 8.027 -30.056 1.00 0.00 H new ATOM 0 HB3 LYS 1 110 -6.932 9.138 -29.362 1.00 0.00 H new ATOM 0 HG2 LYS 1 110 -9.849 9.583 -28.765 1.00 0.00 H new ATOM 0 HG3 LYS 1 110 -9.030 8.250 -27.974 1.00 0.00 H new ATOM 0 HD2 LYS 1 110 -7.262 9.858 -27.177 1.00 0.00 H new ATOM 0 HD3 LYS 1 110 -8.169 11.173 -27.898 1.00 0.00 H new ATOM 0 HE2 LYS 1 110 -9.362 9.296 -25.825 1.00 0.00 H new ATOM 0 HE3 LYS 1 110 -8.531 10.777 -25.394 1.00 0.00 H new ATOM 0 HZ1 LYS 1 110 -10.912 11.115 -25.523 1.00 0.00 H new ATOM 0 HZ2 LYS 1 110 -10.132 12.030 -26.721 1.00 0.00 H new ATOM 0 HZ3 LYS 1 110 -10.937 10.595 -27.139 1.00 0.00 H new ATOM 1812 N LYS 1 111 -10.652 9.921 -31.068 1.00 0.00 N ATOM 1813 CA LYS 1 111 -11.922 9.617 -31.705 1.00 0.00 C ATOM 1814 C LYS 1 111 -12.708 10.894 -31.997 1.00 0.00 C ATOM 1815 O LYS 1 111 -13.037 11.625 -31.036 1.00 0.00 O ATOM 1816 CB LYS 1 111 -12.753 8.663 -30.841 1.00 0.00 C ATOM 1817 CG LYS 1 111 -12.399 7.198 -31.031 1.00 0.00 C ATOM 1818 CD LYS 1 111 -13.399 6.290 -30.335 1.00 0.00 C ATOM 1819 CE LYS 1 111 -13.150 4.827 -30.664 1.00 0.00 C ATOM 1820 NZ LYS 1 111 -14.172 3.938 -30.045 1.00 0.00 N ATOM 1821 OXT LYS 1 111 -12.988 11.155 -33.185 1.00 0.00 O ATOM 0 H LYS 1 111 -10.743 10.361 -30.152 1.00 0.00 H new ATOM 0 HA LYS 1 111 -11.708 9.123 -32.653 1.00 0.00 H new ATOM 0 HB2 LYS 1 111 -12.618 8.927 -29.792 1.00 0.00 H new ATOM 0 HB3 LYS 1 111 -13.809 8.805 -31.072 1.00 0.00 H new ATOM 0 HG2 LYS 1 111 -12.372 6.964 -32.095 1.00 0.00 H new ATOM 0 HG3 LYS 1 111 -11.400 7.010 -30.638 1.00 0.00 H new ATOM 0 HD2 LYS 1 111 -13.336 6.437 -29.257 1.00 0.00 H new ATOM 0 HD3 LYS 1 111 -14.410 6.564 -30.635 1.00 0.00 H new ATOM 0 HE2 LYS 1 111 -13.158 4.691 -31.746 1.00 0.00 H new ATOM 0 HE3 LYS 1 111 -12.159 4.540 -30.314 1.00 0.00 H new ATOM 0 HZ1 LYS 1 111 -13.967 2.949 -30.293 1.00 0.00 H new ATOM 0 HZ2 LYS 1 111 -14.148 4.048 -29.011 1.00 0.00 H new ATOM 0 HZ3 LYS 1 111 -15.116 4.195 -30.398 1.00 0.00 H new TER 1835 LYS 1 111