USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 143 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 HIS :FLIP no HD1:sc= -19.7! C(o=-39!,f=-30!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -10.6! C(o=-33!,f=-30!) USER MOD Set 2.1: A 24 TYR OH : rot -120:sc= -3.32! USER MOD Set 2.2: A 26 LYS NZ :NH3+ 154:sc= -1.39 (180deg=-3.17!) USER MOD Set 2.3: A 51 LYS NZ :NH3+ 151:sc= -7.03! (180deg=-9.4!) USER MOD Single : A 1 ILE N :NH3+ -128:sc= -3.22! (180deg=-7.97!) USER MOD Single : A 4 HIS : no HE2:sc= -5.93! C(o=-5.9!,f=-5.8!) USER MOD Single : A 6 THR OG1 : rot 170:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 11:sc= 0.969 USER MOD Single : A 15 THR OG1 : rot 10:sc= 2.05 USER MOD Single : A 21 ASN : amide:sc= -2.89! C(o=-2.9!,f=-6.7!) USER MOD Single : A 27 MET CE :methyl -155:sc= -0.364 (180deg=-1.79!) USER MOD Single : A 34 SER OG : rot 27:sc= 0.357 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= -11.1! (180deg=-16.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 100:sc= -0.8 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.831 USER MOD Single : A 61 SER OG : rot 68:sc= 0.0201 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -142:sc= 0.72 (180deg=-0.379!) USER MOD Single : A 66 ASN :FLIP amide:sc= -18.1! C(o=-20!,f=-18!) USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= -2.88! (180deg=-3.09!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.384 13.880 -2.685 1.00 0.00 N ATOM 2 CA ILE A 1 3.930 13.860 -4.134 1.00 0.00 C ATOM 3 C ILE A 1 4.482 12.691 -4.954 1.00 0.00 C ATOM 4 O ILE A 1 5.728 12.768 -5.315 1.00 0.00 O ATOM 5 CB ILE A 1 4.086 15.200 -4.818 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.271 16.258 -4.079 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.639 15.080 -6.290 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.706 17.654 -4.528 1.00 0.00 C ATOM 0 H1 ILE A 1 3.555 13.959 -2.062 1.00 0.00 H new ATOM 0 H2 ILE A 1 4.896 13.001 -2.469 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.013 14.694 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 1 2.858 13.670 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 1 5.132 15.505 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 1 2.209 16.117 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 1 3.411 16.152 -3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 1 3.751 16.045 -6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.256 14.339 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 1 2.594 14.771 -6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 1 3.121 18.405 -3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 1 4.764 17.794 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.543 17.758 -5.601 1.00 0.00 H new ATOM 12 N VAL A 2 3.827 11.637 -5.192 1.00 0.00 N ATOM 13 CA VAL A 2 4.250 10.345 -5.770 1.00 0.00 C ATOM 14 C VAL A 2 3.053 9.445 -5.866 1.00 0.00 C ATOM 15 O VAL A 2 2.176 9.789 -6.647 1.00 0.00 O ATOM 16 CB VAL A 2 5.405 9.662 -4.990 1.00 0.00 C ATOM 17 CG1 VAL A 2 5.369 10.021 -3.503 1.00 0.00 C ATOM 18 CG2 VAL A 2 5.569 8.155 -5.315 1.00 0.00 C ATOM 0 H VAL A 2 2.832 11.610 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 2 4.656 10.542 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 2 6.341 10.083 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.192 9.525 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.467 11.100 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.423 9.694 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.395 7.745 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.650 7.626 -5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.778 8.033 -6.378 1.00 0.00 H new ATOM 20 N CYS A 3 2.860 8.506 -4.976 1.00 0.00 N ATOM 21 CA CYS A 3 1.931 7.435 -5.195 1.00 0.00 C ATOM 22 C CYS A 3 0.575 8.023 -4.968 1.00 0.00 C ATOM 23 O CYS A 3 0.368 8.781 -4.047 1.00 0.00 O ATOM 24 CB CYS A 3 2.243 6.452 -4.137 1.00 0.00 C ATOM 25 SG CYS A 3 1.731 6.812 -2.420 1.00 0.00 S ATOM 0 H CYS A 3 3.344 8.465 -4.079 1.00 0.00 H new ATOM 0 HA CYS A 3 1.978 6.976 -6.183 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.790 5.503 -4.424 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.323 6.302 -4.135 1.00 0.00 H new ATOM 27 N HIS A 4 -0.343 7.584 -5.764 1.00 0.00 N ATOM 28 CA HIS A 4 -1.688 8.147 -5.720 1.00 0.00 C ATOM 29 C HIS A 4 -2.699 7.054 -5.420 1.00 0.00 C ATOM 30 O HIS A 4 -3.662 6.834 -6.165 1.00 0.00 O ATOM 31 CB HIS A 4 -1.997 8.887 -7.024 1.00 0.00 C ATOM 32 CG HIS A 4 -1.101 10.087 -7.302 1.00 0.00 C ATOM 33 ND1 HIS A 4 -0.154 10.090 -8.228 1.00 0.00 N ATOM 34 CD2 HIS A 4 -1.135 11.311 -6.783 1.00 0.00 C ATOM 35 CE1 HIS A 4 0.390 11.298 -8.278 1.00 0.00 C ATOM 36 NE2 HIS A 4 -0.224 12.065 -7.384 1.00 0.00 N ATOM 0 H HIS A 4 -0.207 6.845 -6.453 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.752 8.879 -4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.910 8.185 -7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.034 9.223 -6.999 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.113 9.294 -8.807 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.799 11.639 -5.997 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.193 11.605 -8.932 1.00 0.00 H new ATOM 39 N THR A 5 -2.361 6.213 -4.462 1.00 0.00 N ATOM 40 CA THR A 5 -3.282 5.172 -3.988 1.00 0.00 C ATOM 41 C THR A 5 -3.440 5.061 -2.521 1.00 0.00 C ATOM 42 O THR A 5 -2.957 6.224 -2.119 1.00 0.00 O ATOM 43 CB THR A 5 -2.935 3.766 -4.434 1.00 0.00 C ATOM 44 OG1 THR A 5 -3.737 3.763 -5.507 1.00 0.00 O ATOM 45 CG2 THR A 5 -4.063 2.792 -4.195 1.00 0.00 C ATOM 0 H THR A 5 -1.457 6.222 -3.990 1.00 0.00 H new ATOM 0 HA THR A 5 -4.202 5.533 -4.448 1.00 0.00 H new ATOM 0 HB THR A 5 -1.886 3.579 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.764 1.799 -4.532 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.296 2.759 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.945 3.113 -4.750 1.00 0.00 H new ATOM 48 N THR A 6 -3.860 4.080 -1.824 1.00 0.00 N ATOM 49 CA THR A 6 -4.051 3.562 -0.491 1.00 0.00 C ATOM 50 C THR A 6 -2.858 4.241 0.217 1.00 0.00 C ATOM 51 O THR A 6 -2.642 5.377 -0.102 1.00 0.00 O ATOM 52 CB THR A 6 -3.996 2.023 -0.209 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.664 1.120 -1.081 1.00 0.00 O ATOM 54 CG2 THR A 6 -4.230 1.586 1.230 1.00 0.00 C ATOM 0 H THR A 6 -4.218 3.329 -2.414 1.00 0.00 H new ATOM 0 HA THR A 6 -5.076 3.763 -0.180 1.00 0.00 H new ATOM 0 HB THR A 6 -2.938 1.925 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.402 0.201 -0.864 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.167 0.500 1.295 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.472 2.033 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.219 1.912 1.553 1.00 0.00 H new ATOM 57 N ALA A 7 -2.400 3.893 1.355 1.00 0.00 N ATOM 58 CA ALA A 7 -1.457 4.728 2.159 1.00 0.00 C ATOM 59 C ALA A 7 -2.119 5.227 3.415 1.00 0.00 C ATOM 60 O ALA A 7 -2.381 6.407 3.498 1.00 0.00 O ATOM 61 CB ALA A 7 -0.681 5.939 1.495 1.00 0.00 C ATOM 0 H ALA A 7 -2.646 3.011 1.805 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.666 3.997 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.048 6.418 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.062 5.570 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.398 6.663 1.109 1.00 0.00 H new ATOM 63 N THR A 8 -2.546 4.266 4.267 1.00 0.00 N ATOM 64 CA THR A 8 -3.323 4.624 5.478 1.00 0.00 C ATOM 65 C THR A 8 -4.790 4.773 5.074 1.00 0.00 C ATOM 66 O THR A 8 -5.257 5.892 4.905 1.00 0.00 O ATOM 67 CB THR A 8 -2.849 5.975 6.072 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.499 5.839 6.472 1.00 0.00 O ATOM 69 CG2 THR A 8 -3.676 6.655 7.168 1.00 0.00 C ATOM 0 H THR A 8 -2.373 3.268 4.146 1.00 0.00 H new ATOM 0 HA THR A 8 -3.184 3.844 6.226 1.00 0.00 H new ATOM 0 HB THR A 8 -2.995 6.676 5.250 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.183 6.686 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.194 7.587 7.462 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.676 6.867 6.790 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.747 5.995 8.033 1.00 0.00 H new ATOM 72 N SER A 9 -5.416 3.620 4.739 1.00 0.00 N ATOM 73 CA SER A 9 -6.857 3.531 4.419 1.00 0.00 C ATOM 74 C SER A 9 -7.178 3.594 2.893 1.00 0.00 C ATOM 75 O SER A 9 -6.344 3.081 2.126 1.00 0.00 O ATOM 76 CB SER A 9 -7.594 4.600 5.245 1.00 0.00 C ATOM 77 OG SER A 9 -7.682 4.473 6.638 1.00 0.00 O ATOM 0 H SER A 9 -4.932 2.724 4.683 1.00 0.00 H new ATOM 0 HA SER A 9 -7.218 2.541 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.116 5.557 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.612 4.662 4.860 1.00 0.00 H new ATOM 0 HG SER A 9 -8.179 5.234 7.005 1.00 0.00 H new ATOM 80 N PRO A 10 -8.294 4.114 2.393 1.00 0.00 N ATOM 81 CA PRO A 10 -8.555 4.273 0.947 1.00 0.00 C ATOM 82 C PRO A 10 -7.721 5.383 0.307 1.00 0.00 C ATOM 83 O PRO A 10 -7.591 5.436 -0.909 1.00 0.00 O ATOM 84 CB PRO A 10 -10.054 4.565 0.858 1.00 0.00 C ATOM 85 CG PRO A 10 -10.364 5.342 2.129 1.00 0.00 C ATOM 86 CD PRO A 10 -9.581 4.464 3.069 1.00 0.00 C ATOM 0 HA PRO A 10 -8.270 3.379 0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.293 5.147 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.636 3.645 0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.006 6.371 2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.428 5.380 2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.391 4.982 4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.145 3.563 3.310 1.00 0.00 H new ATOM 87 N ILE A 11 -7.280 6.351 1.137 1.00 0.00 N ATOM 88 CA ILE A 11 -6.476 7.492 0.684 1.00 0.00 C ATOM 89 C ILE A 11 -7.221 8.200 -0.381 1.00 0.00 C ATOM 90 O ILE A 11 -8.515 7.995 -0.400 1.00 0.00 O ATOM 91 CB ILE A 11 -5.047 7.042 0.222 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.382 6.822 1.543 1.00 0.00 C ATOM 93 CG2 ILE A 11 -4.066 8.039 -0.394 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.822 5.502 2.121 1.00 0.00 C ATOM 0 H ILE A 11 -7.474 6.358 2.138 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.312 8.181 1.513 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.217 6.272 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.299 6.834 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.635 7.632 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.137 7.528 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.500 8.466 -1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.860 8.836 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.335 5.346 3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.903 5.507 2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.546 4.697 1.440 1.00 0.00 H new ATOM 96 N SER A 12 -6.633 8.870 -1.229 1.00 0.00 N ATOM 97 CA SER A 12 -7.157 9.600 -2.371 1.00 0.00 C ATOM 98 C SER A 12 -6.083 10.232 -3.229 1.00 0.00 C ATOM 99 O SER A 12 -6.224 11.335 -3.632 1.00 0.00 O ATOM 100 CB SER A 12 -8.043 10.735 -1.812 1.00 0.00 C ATOM 101 OG SER A 12 -9.254 10.157 -1.348 1.00 0.00 O ATOM 0 H SER A 12 -5.619 8.968 -1.179 1.00 0.00 H new ATOM 0 HA SER A 12 -7.697 8.894 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.532 11.253 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.246 11.476 -2.585 1.00 0.00 H new ATOM 0 HG SER A 12 -9.168 9.181 -1.339 1.00 0.00 H new ATOM 104 N ALA A 13 -4.897 9.516 -3.327 1.00 0.00 N ATOM 105 CA ALA A 13 -3.778 10.001 -4.126 1.00 0.00 C ATOM 106 C ALA A 13 -2.686 10.548 -3.226 1.00 0.00 C ATOM 107 O ALA A 13 -1.550 10.388 -3.639 1.00 0.00 O ATOM 108 CB ALA A 13 -4.016 11.045 -5.231 1.00 0.00 C ATOM 0 H ALA A 13 -4.728 8.625 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.518 9.093 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.069 11.284 -5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.710 10.642 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.437 11.950 -4.792 1.00 0.00 H new ATOM 110 N VAL A 14 -3.090 11.116 -2.072 1.00 0.00 N ATOM 111 CA VAL A 14 -2.230 11.674 -0.999 1.00 0.00 C ATOM 112 C VAL A 14 -0.801 11.704 -1.450 1.00 0.00 C ATOM 113 O VAL A 14 -0.402 12.757 -1.887 1.00 0.00 O ATOM 114 CB VAL A 14 -2.356 10.960 0.359 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.258 11.323 1.380 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.690 11.353 0.978 1.00 0.00 C ATOM 0 H VAL A 14 -4.081 11.205 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.591 12.687 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.264 9.894 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.427 10.774 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.282 11.059 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.289 12.394 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.803 10.859 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.722 12.434 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.502 11.048 0.317 1.00 0.00 H new ATOM 118 N THR A 15 -0.212 10.458 -1.364 1.00 0.00 N ATOM 119 CA THR A 15 1.096 10.111 -1.834 1.00 0.00 C ATOM 120 C THR A 15 2.012 9.916 -0.611 1.00 0.00 C ATOM 121 O THR A 15 3.141 10.173 -0.577 1.00 0.00 O ATOM 122 CB THR A 15 1.505 11.256 -2.742 1.00 0.00 C ATOM 123 OG1 THR A 15 1.074 11.255 -4.075 1.00 0.00 O ATOM 124 CG2 THR A 15 2.855 11.626 -2.602 1.00 0.00 C ATOM 0 H THR A 15 -0.694 9.666 -0.939 1.00 0.00 H new ATOM 0 HA THR A 15 1.148 9.178 -2.395 1.00 0.00 H new ATOM 0 HB THR A 15 0.886 12.053 -2.331 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.405 10.550 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 15 3.079 12.450 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.041 11.941 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.492 10.775 -2.842 1.00 0.00 H new ATOM 127 N CYS A 16 1.363 9.406 0.465 1.00 0.00 N ATOM 128 CA CYS A 16 2.172 9.124 1.651 1.00 0.00 C ATOM 129 C CYS A 16 2.665 10.470 2.240 1.00 0.00 C ATOM 130 O CYS A 16 2.138 11.519 1.955 1.00 0.00 O ATOM 131 CB CYS A 16 3.268 8.171 1.134 1.00 0.00 C ATOM 132 SG CYS A 16 4.948 8.860 0.692 1.00 0.00 S ATOM 0 H CYS A 16 0.366 9.199 0.530 1.00 0.00 H new ATOM 0 HA CYS A 16 1.656 8.643 2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.419 7.403 1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.876 7.671 0.248 1.00 0.00 H new ATOM 134 N PRO A 17 3.711 10.375 3.130 1.00 0.00 N ATOM 135 CA PRO A 17 4.276 11.554 3.751 1.00 0.00 C ATOM 136 C PRO A 17 5.166 12.360 2.764 1.00 0.00 C ATOM 137 O PRO A 17 4.821 12.453 1.576 1.00 0.00 O ATOM 138 CB PRO A 17 4.892 10.811 4.963 1.00 0.00 C ATOM 139 CG PRO A 17 5.577 9.621 4.351 1.00 0.00 C ATOM 140 CD PRO A 17 4.247 9.187 3.797 1.00 0.00 C ATOM 0 HA PRO A 17 3.649 12.392 4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.597 11.443 5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.126 10.507 5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.336 9.856 3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.031 8.931 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.362 8.359 3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.582 8.845 4.590 1.00 0.00 H new ATOM 141 N PRO A 18 6.243 13.020 3.235 1.00 0.00 N ATOM 142 CA PRO A 18 7.138 13.812 2.388 1.00 0.00 C ATOM 143 C PRO A 18 7.976 12.880 1.495 1.00 0.00 C ATOM 144 O PRO A 18 7.455 12.234 0.590 1.00 0.00 O ATOM 145 CB PRO A 18 7.940 14.641 3.410 1.00 0.00 C ATOM 146 CG PRO A 18 8.106 13.710 4.605 1.00 0.00 C ATOM 147 CD PRO A 18 6.698 13.172 4.640 1.00 0.00 C ATOM 0 HA PRO A 18 6.646 14.471 1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.906 14.945 3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.410 15.552 3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.855 12.935 4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.385 14.235 5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.666 12.214 5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.042 13.851 5.184 1.00 0.00 H new ATOM 148 N GLY A 19 9.282 12.836 1.783 1.00 0.00 N ATOM 149 CA GLY A 19 10.258 12.064 0.997 1.00 0.00 C ATOM 150 C GLY A 19 10.503 12.677 -0.384 1.00 0.00 C ATOM 151 O GLY A 19 11.548 12.413 -0.971 1.00 0.00 O ATOM 0 H GLY A 19 9.695 13.336 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.201 12.012 1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.900 11.041 0.880 1.00 0.00 H new ATOM 153 N GLU A 20 9.557 13.498 -0.852 1.00 0.00 N ATOM 154 CA GLU A 20 9.642 14.214 -2.137 1.00 0.00 C ATOM 155 C GLU A 20 9.645 13.194 -3.264 1.00 0.00 C ATOM 156 O GLU A 20 10.692 13.025 -3.906 1.00 0.00 O ATOM 157 CB GLU A 20 10.931 15.047 -2.207 1.00 0.00 C ATOM 158 CG GLU A 20 10.889 16.229 -1.256 1.00 0.00 C ATOM 159 CD GLU A 20 9.916 17.238 -1.850 1.00 0.00 C ATOM 160 OE1 GLU A 20 8.711 17.118 -1.534 1.00 0.00 O ATOM 161 OE2 GLU A 20 10.406 18.076 -2.633 1.00 0.00 O ATOM 0 H GLU A 20 8.694 13.689 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 20 8.788 14.885 -2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.786 14.415 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.078 15.405 -3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.563 15.916 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.880 16.669 -1.142 1.00 0.00 H new ATOM 163 N ASN A 21 8.509 12.514 -3.397 1.00 0.00 N ATOM 164 CA ASN A 21 8.294 11.442 -4.389 1.00 0.00 C ATOM 165 C ASN A 21 8.595 10.148 -3.632 1.00 0.00 C ATOM 166 O ASN A 21 9.408 10.174 -2.693 1.00 0.00 O ATOM 167 CB ASN A 21 9.157 11.639 -5.653 1.00 0.00 C ATOM 168 CG ASN A 21 9.062 10.578 -6.728 1.00 0.00 C ATOM 169 OD1 ASN A 21 7.997 10.036 -6.980 1.00 0.00 O ATOM 170 ND2 ASN A 21 10.196 10.247 -7.314 1.00 0.00 N ATOM 0 H ASN A 21 7.692 12.689 -2.812 1.00 0.00 H new ATOM 0 HA ASN A 21 7.277 11.433 -4.781 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.889 12.597 -6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.199 11.713 -5.342 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.211 9.506 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.058 10.732 -7.067 1.00 0.00 H new ATOM 174 N LEU A 22 8.002 9.053 -4.055 1.00 0.00 N ATOM 175 CA LEU A 22 8.101 7.666 -3.524 1.00 0.00 C ATOM 176 C LEU A 22 6.982 7.341 -2.524 1.00 0.00 C ATOM 177 O LEU A 22 6.476 8.175 -1.788 1.00 0.00 O ATOM 178 CB LEU A 22 9.454 7.382 -2.879 1.00 0.00 C ATOM 179 CG LEU A 22 10.651 7.491 -3.846 1.00 0.00 C ATOM 180 CD1 LEU A 22 10.956 8.714 -4.724 1.00 0.00 C ATOM 181 CD2 LEU A 22 11.933 7.295 -3.089 1.00 0.00 C ATOM 0 H LEU A 22 7.372 9.090 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 22 7.990 7.018 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.604 8.078 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.437 6.379 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 22 10.302 6.739 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.856 8.526 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.118 8.897 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.110 9.587 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.776 7.373 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.021 8.060 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.934 6.309 -2.623 1.00 0.00 H new ATOM 183 N CYS A 23 6.672 6.065 -2.410 1.00 0.00 N ATOM 184 CA CYS A 23 5.634 5.631 -1.477 1.00 0.00 C ATOM 185 C CYS A 23 5.783 4.161 -1.190 1.00 0.00 C ATOM 186 O CYS A 23 5.574 3.324 -2.069 1.00 0.00 O ATOM 187 CB CYS A 23 4.234 5.822 -2.006 1.00 0.00 C ATOM 188 SG CYS A 23 3.588 7.518 -2.066 1.00 0.00 S ATOM 0 H CYS A 23 7.113 5.314 -2.941 1.00 0.00 H new ATOM 0 HA CYS A 23 5.766 6.247 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.196 5.411 -3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.558 5.225 -1.393 1.00 0.00 H new ATOM 190 N TYR A 24 6.221 3.873 0.024 1.00 0.00 N ATOM 191 CA TYR A 24 6.460 2.497 0.435 1.00 0.00 C ATOM 192 C TYR A 24 5.134 1.638 0.229 1.00 0.00 C ATOM 193 O TYR A 24 4.088 1.940 0.558 1.00 0.00 O ATOM 194 CB TYR A 24 7.037 2.487 1.858 1.00 0.00 C ATOM 195 CG TYR A 24 6.116 2.134 3.011 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.768 2.304 2.924 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.529 1.357 4.071 1.00 0.00 C ATOM 198 CE1 TYR A 24 3.781 1.672 3.612 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.554 0.835 4.878 1.00 0.00 C ATOM 200 CZ TYR A 24 4.198 0.902 4.662 1.00 0.00 C ATOM 201 OH TYR A 24 3.277 0.412 5.495 1.00 0.00 O ATOM 0 H TYR A 24 6.418 4.570 0.742 1.00 0.00 H new ATOM 0 HA TYR A 24 7.212 2.013 -0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.870 1.785 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.450 3.476 2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.437 3.043 2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.576 1.168 4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.739 1.771 3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.882 0.321 5.770 1.00 0.00 H new ATOM 0 HH TYR A 24 3.448 0.742 6.402 1.00 0.00 H new ATOM 208 N ARG A 25 5.271 0.636 -0.646 1.00 0.00 N ATOM 209 CA ARG A 25 4.048 -0.182 -0.717 1.00 0.00 C ATOM 210 C ARG A 25 4.227 -1.481 0.042 1.00 0.00 C ATOM 211 O ARG A 25 5.258 -2.122 -0.086 1.00 0.00 O ATOM 212 CB ARG A 25 3.495 -0.209 -2.131 1.00 0.00 C ATOM 213 CG ARG A 25 2.393 -1.264 -2.237 1.00 0.00 C ATOM 214 CD ARG A 25 1.983 -1.452 -3.680 1.00 0.00 C ATOM 215 NE ARG A 25 2.687 -2.597 -4.240 1.00 0.00 N ATOM 216 CZ ARG A 25 2.294 -3.843 -4.044 1.00 0.00 C ATOM 217 NH1 ARG A 25 1.218 -4.115 -3.319 1.00 0.00 N ATOM 218 NH2 ARG A 25 3.009 -4.823 -4.563 1.00 0.00 N ATOM 0 H ARG A 25 6.071 0.392 -1.229 1.00 0.00 H new ATOM 0 HA ARG A 25 3.219 0.272 -0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.099 0.772 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.293 -0.431 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.745 -2.210 -1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.531 -0.960 -1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.906 -1.606 -3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.212 -0.554 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 25 3.518 -2.430 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.679 -3.356 -2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.929 -5.083 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.848 -4.611 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.723 -5.792 -4.424 1.00 0.00 H new ATOM 225 N LYS A 26 3.348 -1.688 1.006 1.00 0.00 N ATOM 226 CA LYS A 26 3.411 -2.943 1.761 1.00 0.00 C ATOM 227 C LYS A 26 1.991 -3.427 1.996 1.00 0.00 C ATOM 228 O LYS A 26 1.149 -2.580 2.121 1.00 0.00 O ATOM 229 CB LYS A 26 4.115 -2.699 3.088 1.00 0.00 C ATOM 230 CG LYS A 26 4.325 -4.096 3.662 1.00 0.00 C ATOM 231 CD LYS A 26 5.010 -4.089 4.993 1.00 0.00 C ATOM 232 CE LYS A 26 5.410 -5.322 5.779 1.00 0.00 C ATOM 233 NZ LYS A 26 5.901 -4.908 7.108 1.00 0.00 N ATOM 0 H LYS A 26 2.610 -1.040 1.282 1.00 0.00 H new ATOM 0 HA LYS A 26 3.969 -3.698 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.063 -2.180 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.510 -2.082 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.359 -4.591 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.915 -4.686 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.926 -3.515 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.368 -3.509 5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.558 -5.993 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.185 -5.873 5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.762 -5.684 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.913 -4.678 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.374 -4.070 7.427 1.00 0.00 H new ATOM 238 N MET A 27 1.837 -4.740 2.253 1.00 0.00 N ATOM 239 CA MET A 27 0.574 -5.444 2.508 1.00 0.00 C ATOM 240 C MET A 27 -0.215 -5.631 1.236 1.00 0.00 C ATOM 241 O MET A 27 0.203 -5.120 0.200 1.00 0.00 O ATOM 242 CB MET A 27 -0.293 -4.707 3.504 1.00 0.00 C ATOM 243 CG MET A 27 0.499 -4.715 4.784 1.00 0.00 C ATOM 244 SD MET A 27 0.379 -6.235 5.758 1.00 0.00 S ATOM 245 CE MET A 27 -1.379 -6.170 6.023 1.00 0.00 C ATOM 0 H MET A 27 2.638 -5.370 2.289 1.00 0.00 H new ATOM 0 HA MET A 27 0.846 -6.415 2.921 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.498 -3.689 3.172 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.256 -5.201 3.632 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.548 -4.538 4.544 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.168 -3.880 5.402 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.631 -6.720 6.930 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.693 -5.132 6.129 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.892 -6.619 5.172 1.00 0.00 H new ATOM 247 N TRP A 28 -1.289 -6.400 1.367 1.00 0.00 N ATOM 248 CA TRP A 28 -2.160 -6.788 0.235 1.00 0.00 C ATOM 249 C TRP A 28 -3.035 -7.982 0.571 1.00 0.00 C ATOM 250 O TRP A 28 -4.247 -7.992 0.350 1.00 0.00 O ATOM 251 CB TRP A 28 -1.324 -7.089 -1.015 1.00 0.00 C ATOM 252 CG TRP A 28 -2.117 -7.454 -2.243 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.753 -6.627 -3.086 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.293 -8.716 -2.688 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.301 -7.354 -4.049 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.039 -8.675 -3.827 1.00 0.00 C ATOM 257 CE3 TRP A 28 -1.875 -9.970 -2.168 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.420 -9.791 -4.495 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.209 -11.103 -2.873 1.00 0.00 C ATOM 260 CH2 TRP A 28 -2.964 -11.050 -4.015 1.00 0.00 C ATOM 0 H TRP A 28 -1.593 -6.781 2.263 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.815 -5.940 0.034 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.713 -6.216 -1.243 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.640 -7.906 -0.787 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.809 -5.552 -2.995 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.836 -6.984 -4.835 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.313 -10.032 -1.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.053 -9.726 -5.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.866 -12.063 -2.516 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.211 -11.957 -4.547 1.00 0.00 H new ATOM 268 N CYS A 29 -2.425 -8.887 1.292 1.00 0.00 N ATOM 269 CA CYS A 29 -3.045 -10.154 1.639 1.00 0.00 C ATOM 270 C CYS A 29 -3.040 -10.223 3.157 1.00 0.00 C ATOM 271 O CYS A 29 -2.379 -11.081 3.683 1.00 0.00 O ATOM 272 CB CYS A 29 -2.259 -11.325 1.017 1.00 0.00 C ATOM 273 SG CYS A 29 -3.147 -12.848 1.424 1.00 0.00 S ATOM 0 H CYS A 29 -1.481 -8.772 1.660 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.062 -10.227 1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.180 -11.204 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.243 -11.357 1.409 1.00 0.00 H new ATOM 275 N ASP A 30 -3.658 -9.188 3.794 1.00 0.00 N ATOM 276 CA ASP A 30 -3.823 -9.095 5.257 1.00 0.00 C ATOM 277 C ASP A 30 -2.795 -9.925 6.047 1.00 0.00 C ATOM 278 O ASP A 30 -1.720 -9.494 6.341 1.00 0.00 O ATOM 279 CB ASP A 30 -5.235 -9.535 5.638 1.00 0.00 C ATOM 280 CG ASP A 30 -6.225 -8.514 5.158 1.00 0.00 C ATOM 281 OD1 ASP A 30 -6.353 -7.591 5.965 1.00 0.00 O ATOM 282 OD2 ASP A 30 -6.815 -8.732 4.080 1.00 0.00 O ATOM 0 H ASP A 30 -4.056 -8.393 3.294 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.653 -8.052 5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.456 -10.507 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.312 -9.651 6.719 1.00 0.00 H new ATOM 284 N ALA A 31 -3.167 -11.234 6.149 1.00 0.00 N ATOM 285 CA ALA A 31 -2.285 -12.290 6.634 1.00 0.00 C ATOM 286 C ALA A 31 -2.986 -13.660 6.566 1.00 0.00 C ATOM 287 O ALA A 31 -2.438 -14.674 6.976 1.00 0.00 O ATOM 288 CB ALA A 31 -1.981 -12.011 8.096 1.00 0.00 C ATOM 0 H ALA A 31 -4.096 -11.568 5.891 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.384 -12.309 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.322 -12.787 8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.493 -11.041 8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.910 -12.005 8.666 1.00 0.00 H new ATOM 290 N PHE A 32 -4.235 -13.622 6.131 1.00 0.00 N ATOM 291 CA PHE A 32 -5.060 -14.829 6.075 1.00 0.00 C ATOM 292 C PHE A 32 -5.246 -15.329 4.661 1.00 0.00 C ATOM 293 O PHE A 32 -5.849 -16.393 4.523 1.00 0.00 O ATOM 294 CB PHE A 32 -6.405 -14.565 6.745 1.00 0.00 C ATOM 295 CG PHE A 32 -6.187 -14.491 8.251 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.017 -15.664 8.974 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.149 -13.256 8.882 1.00 0.00 C ATOM 298 CE1 PHE A 32 -5.805 -15.600 10.343 1.00 0.00 C ATOM 299 CE2 PHE A 32 -5.944 -13.195 10.252 1.00 0.00 C ATOM 300 CZ PHE A 32 -5.772 -14.366 10.982 1.00 0.00 C ATOM 0 H PHE A 32 -4.703 -12.774 5.811 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.539 -15.618 6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.835 -13.633 6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.111 -15.359 6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.050 -16.620 8.473 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.278 -12.349 8.310 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.666 -16.507 10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.918 -12.238 10.752 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.612 -14.317 12.049 1.00 0.00 H new ATOM 307 N CYS A 33 -4.847 -14.514 3.671 1.00 0.00 N ATOM 308 CA CYS A 33 -4.988 -14.850 2.241 1.00 0.00 C ATOM 309 C CYS A 33 -6.308 -15.580 1.971 1.00 0.00 C ATOM 310 O CYS A 33 -6.344 -16.614 1.323 1.00 0.00 O ATOM 311 CB CYS A 33 -3.759 -15.629 1.714 1.00 0.00 C ATOM 312 SG CYS A 33 -2.213 -14.653 1.535 1.00 0.00 S ATOM 0 H CYS A 33 -4.418 -13.604 3.837 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.023 -13.916 1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.564 -16.463 2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.012 -16.056 0.743 1.00 0.00 H new ATOM 314 N SER A 34 -7.332 -15.121 2.698 1.00 0.00 N ATOM 315 CA SER A 34 -8.617 -15.827 2.718 1.00 0.00 C ATOM 316 C SER A 34 -9.496 -15.298 1.596 1.00 0.00 C ATOM 317 O SER A 34 -10.710 -15.282 1.755 1.00 0.00 O ATOM 318 CB SER A 34 -9.334 -15.640 4.062 1.00 0.00 C ATOM 319 OG SER A 34 -8.684 -16.395 5.080 1.00 0.00 O ATOM 0 H SER A 34 -7.298 -14.278 3.271 1.00 0.00 H new ATOM 0 HA SER A 34 -8.428 -16.891 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.343 -14.584 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.374 -15.955 3.974 1.00 0.00 H new ATOM 0 HG SER A 34 -7.737 -16.504 4.852 1.00 0.00 H new ATOM 322 N SER A 35 -8.832 -14.877 0.509 1.00 0.00 N ATOM 323 CA SER A 35 -9.438 -14.259 -0.694 1.00 0.00 C ATOM 324 C SER A 35 -9.390 -12.744 -0.529 1.00 0.00 C ATOM 325 O SER A 35 -8.646 -12.264 0.298 1.00 0.00 O ATOM 326 CB SER A 35 -10.868 -14.726 -0.981 1.00 0.00 C ATOM 327 OG SER A 35 -10.823 -16.134 -1.167 1.00 0.00 O ATOM 0 H SER A 35 -7.818 -14.958 0.435 1.00 0.00 H new ATOM 0 HA SER A 35 -8.856 -14.579 -1.558 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.530 -14.469 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.262 -14.233 -1.870 1.00 0.00 H new ATOM 0 HG SER A 35 -11.725 -16.469 -1.352 1.00 0.00 H new ATOM 330 N ARG A 36 -10.183 -12.049 -1.389 1.00 0.00 N ATOM 331 CA ARG A 36 -10.309 -10.585 -1.402 1.00 0.00 C ATOM 332 C ARG A 36 -8.916 -9.916 -1.547 1.00 0.00 C ATOM 333 O ARG A 36 -8.054 -10.396 -2.281 1.00 0.00 O ATOM 334 CB ARG A 36 -11.120 -10.135 -0.160 1.00 0.00 C ATOM 335 CG ARG A 36 -10.369 -10.298 1.169 1.00 0.00 C ATOM 336 CD ARG A 36 -10.752 -9.336 2.257 1.00 0.00 C ATOM 337 NE ARG A 36 -9.750 -9.413 3.334 1.00 0.00 N ATOM 338 CZ ARG A 36 -10.038 -9.015 4.569 1.00 0.00 C ATOM 339 NH1 ARG A 36 -11.237 -8.548 4.862 1.00 0.00 N ATOM 340 NH2 ARG A 36 -9.134 -9.079 5.527 1.00 0.00 N ATOM 0 H ARG A 36 -10.756 -12.506 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.869 -10.250 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.400 -9.089 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.045 -10.709 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.530 -11.313 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.301 -10.194 0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.804 -8.321 1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.742 -9.579 2.644 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.820 -9.778 3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.953 -8.490 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.448 -8.245 5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.201 -9.437 5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.368 -8.770 6.471 1.00 0.00 H new ATOM 347 N GLY A 37 -8.687 -8.926 -0.691 1.00 0.00 N ATOM 348 CA GLY A 37 -7.400 -8.252 -0.499 1.00 0.00 C ATOM 349 C GLY A 37 -7.714 -6.796 -0.715 1.00 0.00 C ATOM 350 O GLY A 37 -7.919 -6.524 -1.892 1.00 0.00 O ATOM 0 H GLY A 37 -9.419 -8.554 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.001 -8.430 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.653 -8.609 -1.208 1.00 0.00 H new ATOM 352 N LYS A 38 -8.087 -6.171 0.425 1.00 0.00 N ATOM 353 CA LYS A 38 -8.395 -4.737 0.646 1.00 0.00 C ATOM 354 C LYS A 38 -7.674 -4.033 1.797 1.00 0.00 C ATOM 355 O LYS A 38 -7.888 -2.857 2.147 1.00 0.00 O ATOM 356 CB LYS A 38 -9.885 -4.427 0.523 1.00 0.00 C ATOM 357 CG LYS A 38 -10.069 -2.934 0.283 1.00 0.00 C ATOM 358 CD LYS A 38 -11.529 -2.626 0.211 1.00 0.00 C ATOM 359 CE LYS A 38 -11.567 -1.121 0.224 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.964 -0.772 0.134 1.00 0.00 N ATOM 0 H LYS A 38 -8.189 -6.702 1.290 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.915 -4.246 -0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.320 -4.996 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.407 -4.728 1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.604 -2.364 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.576 -2.639 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.982 -3.032 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.072 -3.049 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.121 -0.725 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.004 -0.707 -0.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.085 0.003 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.509 -1.600 -0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.307 -0.468 1.068 1.00 0.00 H new ATOM 365 N VAL A 39 -6.752 -4.765 2.364 1.00 0.00 N ATOM 366 CA VAL A 39 -6.041 -4.298 3.558 1.00 0.00 C ATOM 367 C VAL A 39 -4.545 -4.302 3.291 1.00 0.00 C ATOM 368 O VAL A 39 -3.796 -5.225 3.641 1.00 0.00 O ATOM 369 CB VAL A 39 -6.437 -5.152 4.761 1.00 0.00 C ATOM 370 CG1 VAL A 39 -5.621 -4.786 6.008 1.00 0.00 C ATOM 371 CG2 VAL A 39 -7.934 -5.067 5.086 1.00 0.00 C ATOM 0 H VAL A 39 -6.466 -5.686 2.031 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.321 -3.271 3.794 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.214 -6.180 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.931 -5.414 6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.561 -4.944 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.791 -3.739 6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.155 -5.694 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.199 -4.034 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.513 -5.412 4.229 1.00 0.00 H new ATOM 373 N VAL A 40 -4.152 -3.210 2.667 1.00 0.00 N ATOM 374 CA VAL A 40 -2.742 -2.982 2.398 1.00 0.00 C ATOM 375 C VAL A 40 -2.203 -1.936 3.365 1.00 0.00 C ATOM 376 O VAL A 40 -2.921 -1.541 4.358 1.00 0.00 O ATOM 377 CB VAL A 40 -2.553 -2.656 0.886 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.113 -2.693 0.434 1.00 0.00 C ATOM 379 CG2 VAL A 40 -3.057 -3.735 -0.044 1.00 0.00 C ATOM 0 H VAL A 40 -4.777 -2.474 2.339 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.144 -3.875 2.580 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.060 -1.693 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.059 -2.456 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.535 -1.961 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.703 -3.688 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.889 -3.432 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.522 -4.664 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.124 -3.888 0.120 1.00 0.00 H new ATOM 381 N GLU A 41 -1.039 -1.489 3.181 1.00 0.00 N ATOM 382 CA GLU A 41 -0.277 -0.508 3.972 1.00 0.00 C ATOM 383 C GLU A 41 0.288 0.626 3.179 1.00 0.00 C ATOM 384 O GLU A 41 -0.028 1.706 3.504 1.00 0.00 O ATOM 385 CB GLU A 41 0.906 -1.079 4.703 1.00 0.00 C ATOM 386 CG GLU A 41 0.443 -1.891 5.880 1.00 0.00 C ATOM 387 CD GLU A 41 -0.301 -1.164 6.961 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.533 -1.008 6.823 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.430 -0.881 7.925 1.00 0.00 O ATOM 0 H GLU A 41 -0.490 -1.814 2.385 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.047 -0.166 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.493 -1.703 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.558 -0.274 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.197 -2.691 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.316 -2.364 6.329 1.00 0.00 H new ATOM 391 N LEU A 42 1.032 0.240 2.055 1.00 0.00 N ATOM 392 CA LEU A 42 1.445 1.203 1.047 1.00 0.00 C ATOM 393 C LEU A 42 1.076 2.654 1.282 1.00 0.00 C ATOM 394 O LEU A 42 0.108 3.181 0.813 1.00 0.00 O ATOM 395 CB LEU A 42 0.901 0.728 -0.294 1.00 0.00 C ATOM 396 CG LEU A 42 -0.559 0.473 -0.592 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.402 0.372 0.626 1.00 0.00 C ATOM 398 CD2 LEU A 42 -1.149 1.743 -1.007 1.00 0.00 C ATOM 0 H LEU A 42 1.328 -0.718 1.869 1.00 0.00 H new ATOM 0 HA LEU A 42 2.534 1.224 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.234 1.460 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.420 -0.205 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.554 -0.397 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.437 0.189 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.047 -0.450 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.342 1.304 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.206 1.597 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.046 2.472 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.637 2.109 -1.897 1.00 0.00 H new ATOM 400 N GLY A 43 1.792 3.219 2.211 1.00 0.00 N ATOM 401 CA GLY A 43 1.481 4.371 3.046 1.00 0.00 C ATOM 402 C GLY A 43 2.466 5.491 2.827 1.00 0.00 C ATOM 403 O GLY A 43 2.276 6.596 3.284 1.00 0.00 O ATOM 0 H GLY A 43 2.716 2.850 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.473 4.722 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.491 4.075 4.095 1.00 0.00 H new ATOM 405 N CYS A 44 3.624 4.925 2.504 1.00 0.00 N ATOM 406 CA CYS A 44 4.964 5.434 2.713 1.00 0.00 C ATOM 407 C CYS A 44 5.062 5.960 4.120 1.00 0.00 C ATOM 408 O CYS A 44 4.140 5.948 4.925 1.00 0.00 O ATOM 409 CB CYS A 44 5.269 6.358 1.580 1.00 0.00 C ATOM 410 SG CYS A 44 6.409 7.762 1.573 1.00 0.00 S ATOM 0 H CYS A 44 3.644 4.013 2.047 1.00 0.00 H new ATOM 0 HA CYS A 44 5.757 4.688 2.675 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.605 5.713 0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.306 6.771 1.281 1.00 0.00 H new ATOM 412 N ALA A 45 6.310 6.175 4.443 1.00 0.00 N ATOM 413 CA ALA A 45 6.627 6.525 5.825 1.00 0.00 C ATOM 414 C ALA A 45 8.014 7.156 5.886 1.00 0.00 C ATOM 415 O ALA A 45 8.745 6.831 6.816 1.00 0.00 O ATOM 416 CB ALA A 45 6.522 5.257 6.695 1.00 0.00 C ATOM 0 H ALA A 45 7.104 6.120 3.805 1.00 0.00 H new ATOM 0 HA ALA A 45 5.920 7.259 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.757 5.505 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.509 4.860 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.226 4.508 6.333 1.00 0.00 H new ATOM 418 N ALA A 46 8.370 7.924 4.848 1.00 0.00 N ATOM 419 CA ALA A 46 9.649 8.671 4.695 1.00 0.00 C ATOM 420 C ALA A 46 10.195 8.455 3.279 1.00 0.00 C ATOM 421 O ALA A 46 9.759 9.115 2.343 1.00 0.00 O ATOM 422 CB ALA A 46 10.764 8.391 5.731 1.00 0.00 C ATOM 0 H ALA A 46 7.752 8.055 4.047 1.00 0.00 H new ATOM 0 HA ALA A 46 9.375 9.708 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.637 9.002 5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.403 8.637 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.039 7.337 5.694 1.00 0.00 H new ATOM 424 N THR A 47 11.084 7.477 3.133 1.00 0.00 N ATOM 425 CA THR A 47 11.728 7.155 1.846 1.00 0.00 C ATOM 426 C THR A 47 11.655 5.649 1.597 1.00 0.00 C ATOM 427 O THR A 47 12.679 5.029 1.351 1.00 0.00 O ATOM 428 CB THR A 47 13.182 7.687 1.835 1.00 0.00 C ATOM 429 OG1 THR A 47 13.124 9.109 1.910 1.00 0.00 O ATOM 430 CG2 THR A 47 14.030 7.341 0.600 1.00 0.00 C ATOM 0 H THR A 47 11.385 6.878 3.902 1.00 0.00 H new ATOM 0 HA THR A 47 11.200 7.647 1.029 1.00 0.00 H new ATOM 0 HB THR A 47 13.669 7.199 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.033 9.474 1.906 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.026 7.769 0.711 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.109 6.258 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.557 7.750 -0.293 1.00 0.00 H new ATOM 433 N CYS A 48 10.503 5.025 1.836 1.00 0.00 N ATOM 434 CA CYS A 48 10.346 3.570 1.589 1.00 0.00 C ATOM 435 C CYS A 48 11.567 2.823 2.158 1.00 0.00 C ATOM 436 O CYS A 48 12.528 2.531 1.452 1.00 0.00 O ATOM 437 CB CYS A 48 10.222 3.199 0.091 1.00 0.00 C ATOM 438 SG CYS A 48 9.566 1.501 -0.161 1.00 0.00 S ATOM 0 H CYS A 48 9.667 5.486 2.196 1.00 0.00 H new ATOM 0 HA CYS A 48 9.417 3.280 2.079 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.567 3.915 -0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.200 3.281 -0.383 1.00 0.00 H new ATOM 440 N PRO A 49 11.572 2.619 3.486 1.00 0.00 N ATOM 441 CA PRO A 49 12.704 1.967 4.150 1.00 0.00 C ATOM 442 C PRO A 49 12.851 0.495 3.726 1.00 0.00 C ATOM 443 O PRO A 49 13.617 -0.235 4.351 1.00 0.00 O ATOM 444 CB PRO A 49 12.392 2.131 5.638 1.00 0.00 C ATOM 445 CG PRO A 49 10.864 2.149 5.702 1.00 0.00 C ATOM 446 CD PRO A 49 10.440 2.835 4.403 1.00 0.00 C ATOM 0 HA PRO A 49 13.665 2.408 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.805 1.310 6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.818 3.052 6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.457 1.140 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.509 2.696 6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.521 2.403 4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.252 3.897 4.558 1.00 0.00 H new ATOM 447 N SER A 50 11.988 0.059 2.805 1.00 0.00 N ATOM 448 CA SER A 50 11.930 -1.307 2.245 1.00 0.00 C ATOM 449 C SER A 50 11.143 -2.211 3.177 1.00 0.00 C ATOM 450 O SER A 50 10.182 -2.821 2.720 1.00 0.00 O ATOM 451 CB SER A 50 13.289 -1.976 2.020 1.00 0.00 C ATOM 452 OG SER A 50 14.023 -1.221 1.061 1.00 0.00 O ATOM 0 H SER A 50 11.276 0.671 2.407 1.00 0.00 H new ATOM 0 HA SER A 50 11.459 -1.183 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.841 -2.032 2.958 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.152 -2.999 1.669 1.00 0.00 H new ATOM 0 HG SER A 50 14.896 -1.641 0.912 1.00 0.00 H new ATOM 455 N LYS A 51 11.431 -2.087 4.478 1.00 0.00 N ATOM 456 CA LYS A 51 10.811 -2.881 5.552 1.00 0.00 C ATOM 457 C LYS A 51 11.282 -4.335 5.438 1.00 0.00 C ATOM 458 O LYS A 51 12.476 -4.600 5.346 1.00 0.00 O ATOM 459 CB LYS A 51 9.289 -2.784 5.474 1.00 0.00 C ATOM 460 CG LYS A 51 8.819 -1.349 5.474 1.00 0.00 C ATOM 461 CD LYS A 51 7.342 -1.497 5.238 1.00 0.00 C ATOM 462 CE LYS A 51 6.601 -1.775 6.551 1.00 0.00 C ATOM 463 NZ LYS A 51 5.151 -1.666 6.308 1.00 0.00 N ATOM 0 H LYS A 51 12.117 -1.417 4.824 1.00 0.00 H new ATOM 0 HA LYS A 51 11.116 -2.488 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.939 -3.281 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.847 -3.311 6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.032 -0.851 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.300 -0.763 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.950 -0.588 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.162 -2.311 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.848 -2.770 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.910 -1.064 7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.641 -2.289 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.847 -0.682 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.941 -1.950 5.330 1.00 0.00 H new ATOM 468 N LYS A 52 10.333 -5.245 5.566 1.00 0.00 N ATOM 469 CA LYS A 52 10.577 -6.678 5.529 1.00 0.00 C ATOM 470 C LYS A 52 9.813 -7.332 4.375 1.00 0.00 C ATOM 471 O LYS A 52 9.044 -6.668 3.698 1.00 0.00 O ATOM 472 CB LYS A 52 10.135 -7.173 6.901 1.00 0.00 C ATOM 473 CG LYS A 52 11.214 -6.833 7.917 1.00 0.00 C ATOM 474 CD LYS A 52 10.878 -7.543 9.214 1.00 0.00 C ATOM 475 CE LYS A 52 11.804 -7.029 10.305 1.00 0.00 C ATOM 476 NZ LYS A 52 11.522 -7.746 11.550 1.00 0.00 N ATOM 0 H LYS A 52 9.351 -5.005 5.701 1.00 0.00 H new ATOM 0 HA LYS A 52 11.620 -6.933 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.191 -6.708 7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.965 -8.249 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.192 -7.147 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.263 -5.756 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.838 -7.362 9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.994 -8.620 9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.844 -7.175 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.660 -5.958 10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.152 -7.399 12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.533 -7.585 11.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.681 -8.764 11.408 1.00 0.00 H new ATOM 481 N PRO A 53 10.062 -8.645 4.168 1.00 0.00 N ATOM 482 CA PRO A 53 9.376 -9.417 3.137 1.00 0.00 C ATOM 483 C PRO A 53 7.911 -9.598 3.539 1.00 0.00 C ATOM 484 O PRO A 53 7.071 -8.837 3.068 1.00 0.00 O ATOM 485 CB PRO A 53 10.189 -10.716 3.048 1.00 0.00 C ATOM 486 CG PRO A 53 10.738 -10.920 4.459 1.00 0.00 C ATOM 487 CD PRO A 53 11.030 -9.490 4.893 1.00 0.00 C ATOM 0 HA PRO A 53 9.331 -8.947 2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.565 -11.555 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.993 -10.632 2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.013 -11.405 5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.635 -11.539 4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.917 -9.378 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.054 -9.209 4.649 1.00 0.00 H new ATOM 488 N TYR A 54 7.679 -10.475 4.526 1.00 0.00 N ATOM 489 CA TYR A 54 6.350 -10.884 5.022 1.00 0.00 C ATOM 490 C TYR A 54 5.357 -10.939 3.847 1.00 0.00 C ATOM 491 O TYR A 54 5.795 -11.024 2.717 1.00 0.00 O ATOM 492 CB TYR A 54 5.949 -9.904 6.136 1.00 0.00 C ATOM 493 CG TYR A 54 4.573 -10.214 6.727 1.00 0.00 C ATOM 494 CD1 TYR A 54 4.392 -11.375 7.466 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.479 -9.426 6.373 1.00 0.00 C ATOM 496 CE1 TYR A 54 3.122 -11.750 7.861 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.205 -9.808 6.761 1.00 0.00 C ATOM 498 CZ TYR A 54 2.039 -10.967 7.497 1.00 0.00 C ATOM 499 OH TYR A 54 0.819 -11.289 7.949 1.00 0.00 O ATOM 0 H TYR A 54 8.440 -10.939 5.023 1.00 0.00 H new ATOM 0 HA TYR A 54 6.357 -11.887 5.449 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.696 -9.936 6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.949 -8.889 5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.243 -11.985 7.732 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.624 -8.522 5.799 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.975 -12.645 8.448 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.350 -9.206 6.491 1.00 0.00 H new ATOM 0 HH TYR A 54 0.592 -10.719 8.713 1.00 0.00 H new ATOM 506 N GLU A 55 4.062 -10.902 4.148 1.00 0.00 N ATOM 507 CA GLU A 55 2.963 -10.827 3.176 1.00 0.00 C ATOM 508 C GLU A 55 3.413 -10.245 1.826 1.00 0.00 C ATOM 509 O GLU A 55 4.013 -10.930 1.006 1.00 0.00 O ATOM 510 CB GLU A 55 1.841 -9.980 3.791 1.00 0.00 C ATOM 511 CG GLU A 55 0.485 -10.479 3.352 1.00 0.00 C ATOM 512 CD GLU A 55 0.450 -10.374 1.841 1.00 0.00 C ATOM 513 OE1 GLU A 55 0.133 -9.243 1.421 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.801 -11.360 1.163 1.00 0.00 O ATOM 0 H GLU A 55 3.731 -10.924 5.113 1.00 0.00 H new ATOM 0 HA GLU A 55 2.608 -11.836 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.910 -10.012 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.963 -8.938 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.330 -11.509 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.310 -9.883 3.800 1.00 0.00 H new ATOM 516 N GLU A 56 3.050 -8.999 1.568 1.00 0.00 N ATOM 517 CA GLU A 56 3.401 -8.331 0.318 1.00 0.00 C ATOM 518 C GLU A 56 4.086 -7.035 0.673 1.00 0.00 C ATOM 519 O GLU A 56 3.763 -6.437 1.700 1.00 0.00 O ATOM 520 CB GLU A 56 2.152 -8.057 -0.515 1.00 0.00 C ATOM 521 CG GLU A 56 1.586 -9.355 -1.092 1.00 0.00 C ATOM 522 CD GLU A 56 2.511 -9.970 -2.129 1.00 0.00 C ATOM 523 OE1 GLU A 56 3.420 -10.729 -1.736 1.00 0.00 O ATOM 524 OE2 GLU A 56 2.295 -9.602 -3.300 1.00 0.00 O ATOM 0 H GLU A 56 2.508 -8.423 2.212 1.00 0.00 H new ATOM 0 HA GLU A 56 4.060 -8.964 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.398 -7.569 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.394 -7.369 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.421 -10.069 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.615 -9.157 -1.545 1.00 0.00 H new ATOM 526 N VAL A 57 4.972 -6.629 -0.210 1.00 0.00 N ATOM 527 CA VAL A 57 5.795 -5.415 -0.052 1.00 0.00 C ATOM 528 C VAL A 57 6.245 -5.009 -1.457 1.00 0.00 C ATOM 529 O VAL A 57 5.918 -5.681 -2.452 1.00 0.00 O ATOM 530 CB VAL A 57 7.028 -5.693 0.854 1.00 0.00 C ATOM 531 CG1 VAL A 57 8.048 -4.562 1.021 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.610 -5.938 2.288 1.00 0.00 C ATOM 0 H VAL A 57 5.156 -7.131 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 57 5.224 -4.620 0.426 1.00 0.00 H new ATOM 0 HB VAL A 57 7.477 -6.534 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.854 -4.892 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.459 -4.296 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.558 -3.692 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.494 -6.129 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.089 -5.060 2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.946 -6.801 2.331 1.00 0.00 H new ATOM 534 N THR A 58 6.917 -3.889 -1.515 1.00 0.00 N ATOM 535 CA THR A 58 7.559 -3.328 -2.726 1.00 0.00 C ATOM 536 C THR A 58 8.181 -1.971 -2.340 1.00 0.00 C ATOM 537 O THR A 58 8.268 -1.650 -1.170 1.00 0.00 O ATOM 538 CB THR A 58 6.491 -3.230 -3.818 1.00 0.00 C ATOM 539 OG1 THR A 58 6.950 -2.670 -5.041 1.00 0.00 O ATOM 540 CG2 THR A 58 5.419 -2.310 -3.333 1.00 0.00 C ATOM 0 H THR A 58 7.051 -3.299 -0.694 1.00 0.00 H new ATOM 0 HA THR A 58 8.362 -3.952 -3.117 1.00 0.00 H new ATOM 0 HB THR A 58 6.164 -4.252 -4.010 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.212 -2.643 -5.686 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.643 -2.222 -4.094 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.985 -2.709 -2.416 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.846 -1.327 -3.134 1.00 0.00 H new ATOM 543 N CYS A 59 8.284 -1.110 -3.358 1.00 0.00 N ATOM 544 CA CYS A 59 8.891 0.227 -3.291 1.00 0.00 C ATOM 545 C CYS A 59 8.896 0.816 -4.701 1.00 0.00 C ATOM 546 O CYS A 59 9.573 0.333 -5.606 1.00 0.00 O ATOM 547 CB CYS A 59 10.341 0.156 -2.792 1.00 0.00 C ATOM 548 SG CYS A 59 10.628 -0.044 -0.994 1.00 0.00 S ATOM 0 H CYS A 59 7.933 -1.333 -4.289 1.00 0.00 H new ATOM 0 HA CYS A 59 8.315 0.841 -2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.828 -0.675 -3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.848 1.067 -3.111 1.00 0.00 H new ATOM 550 N CYS A 60 8.044 1.813 -4.882 1.00 0.00 N ATOM 551 CA CYS A 60 7.993 2.518 -6.164 1.00 0.00 C ATOM 552 C CYS A 60 8.383 3.961 -5.933 1.00 0.00 C ATOM 553 O CYS A 60 8.927 4.244 -4.861 1.00 0.00 O ATOM 554 CB CYS A 60 6.591 2.381 -6.724 1.00 0.00 C ATOM 555 SG CYS A 60 6.304 0.586 -6.919 1.00 0.00 S ATOM 0 H CYS A 60 7.389 2.151 -4.177 1.00 0.00 H new ATOM 0 HA CYS A 60 8.689 2.097 -6.890 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.856 2.823 -6.051 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.500 2.897 -7.680 1.00 0.00 H new ATOM 557 N SER A 61 7.932 4.824 -6.854 1.00 0.00 N ATOM 558 CA SER A 61 8.306 6.250 -6.908 1.00 0.00 C ATOM 559 C SER A 61 8.316 6.888 -8.288 1.00 0.00 C ATOM 560 O SER A 61 9.220 7.627 -8.707 1.00 0.00 O ATOM 561 CB SER A 61 9.725 6.397 -6.449 1.00 0.00 C ATOM 562 OG SER A 61 10.780 5.756 -7.137 1.00 0.00 O ATOM 0 H SER A 61 7.287 4.550 -7.595 1.00 0.00 H new ATOM 0 HA SER A 61 7.547 6.737 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.950 7.464 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.764 6.055 -5.415 1.00 0.00 H new ATOM 0 HG SER A 61 10.883 6.158 -8.025 1.00 0.00 H new ATOM 565 N THR A 62 7.291 6.554 -9.029 1.00 0.00 N ATOM 566 CA THR A 62 7.203 7.037 -10.416 1.00 0.00 C ATOM 567 C THR A 62 5.822 7.620 -10.647 1.00 0.00 C ATOM 568 O THR A 62 5.265 7.354 -11.697 1.00 0.00 O ATOM 569 CB THR A 62 7.550 5.905 -11.418 1.00 0.00 C ATOM 570 OG1 THR A 62 8.916 5.565 -11.220 1.00 0.00 O ATOM 571 CG2 THR A 62 7.424 6.208 -12.922 1.00 0.00 C ATOM 0 H THR A 62 6.516 5.966 -8.722 1.00 0.00 H new ATOM 0 HA THR A 62 7.937 7.825 -10.585 1.00 0.00 H new ATOM 0 HB THR A 62 6.813 5.132 -11.202 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.168 4.848 -11.839 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.699 5.323 -13.496 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.395 6.484 -13.153 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.088 7.031 -13.184 1.00 0.00 H new ATOM 574 N ASP A 63 5.235 8.272 -9.623 1.00 0.00 N ATOM 575 CA ASP A 63 3.874 8.830 -9.665 1.00 0.00 C ATOM 576 C ASP A 63 2.915 7.982 -8.830 1.00 0.00 C ATOM 577 O ASP A 63 1.840 8.398 -8.570 1.00 0.00 O ATOM 578 CB ASP A 63 3.250 8.888 -11.071 1.00 0.00 C ATOM 579 CG ASP A 63 2.044 9.742 -11.284 1.00 0.00 C ATOM 580 OD1 ASP A 63 0.952 9.208 -11.001 1.00 0.00 O ATOM 581 OD2 ASP A 63 2.286 10.855 -11.789 1.00 0.00 O ATOM 0 H ASP A 63 5.704 8.427 -8.730 1.00 0.00 H new ATOM 0 HA ASP A 63 3.996 9.843 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.022 9.227 -11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.989 7.870 -11.360 1.00 0.00 H new ATOM 583 N LYS A 64 3.227 6.669 -8.699 1.00 0.00 N ATOM 584 CA LYS A 64 2.357 5.761 -7.947 1.00 0.00 C ATOM 585 C LYS A 64 2.867 4.351 -8.190 1.00 0.00 C ATOM 586 O LYS A 64 3.741 4.185 -9.024 1.00 0.00 O ATOM 587 CB LYS A 64 0.943 5.788 -8.494 1.00 0.00 C ATOM 588 CG LYS A 64 -0.048 5.181 -7.544 1.00 0.00 C ATOM 589 CD LYS A 64 -1.328 5.370 -8.310 1.00 0.00 C ATOM 590 CE LYS A 64 -2.183 4.376 -7.611 1.00 0.00 C ATOM 591 NZ LYS A 64 -3.625 4.329 -7.880 1.00 0.00 N ATOM 0 H LYS A 64 4.058 6.232 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 64 2.360 6.056 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.657 6.819 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.912 5.249 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.162 4.130 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.064 5.692 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.717 6.385 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.216 5.153 -9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.780 3.388 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.058 4.537 -6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.137 4.131 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.937 5.244 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.825 3.578 -8.571 1.00 0.00 H new ATOM 596 N CYS A 65 2.366 3.458 -7.325 1.00 0.00 N ATOM 597 CA CYS A 65 2.577 2.005 -7.417 1.00 0.00 C ATOM 598 C CYS A 65 2.259 1.344 -6.090 1.00 0.00 C ATOM 599 O CYS A 65 3.057 0.660 -5.446 1.00 0.00 O ATOM 600 CB CYS A 65 4.026 1.800 -7.705 1.00 0.00 C ATOM 601 SG CYS A 65 4.648 0.146 -8.025 1.00 0.00 S ATOM 0 H CYS A 65 1.792 3.730 -6.527 1.00 0.00 H new ATOM 0 HA CYS A 65 1.937 1.576 -8.188 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.275 2.414 -8.570 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.585 2.199 -6.859 1.00 0.00 H new ATOM 603 N ASN A 66 1.103 1.768 -5.628 1.00 0.00 N ATOM 604 CA ASN A 66 0.521 1.161 -4.465 1.00 0.00 C ATOM 605 C ASN A 66 -0.999 1.126 -4.522 1.00 0.00 C ATOM 606 O ASN A 66 -1.650 1.353 -3.569 1.00 0.00 O ATOM 607 CB ASN A 66 1.107 1.893 -3.275 1.00 0.00 C ATOM 608 CG ASN A 66 0.696 3.326 -3.189 1.00 0.00 C ATOM 609 OD1 ASN A 66 -0.501 3.715 -2.857 1.00 0.00 O flip ATOM 610 ND2 ASN A 66 1.523 4.064 -3.606 1.00 0.00 N flip ATOM 0 H ASN A 66 0.556 2.524 -6.040 1.00 0.00 H new ATOM 0 HA ASN A 66 0.769 0.102 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.805 1.382 -2.361 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.194 1.839 -3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.447 3.708 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.312 5.055 -3.719 1.00 0.00 H new ATOM 614 N PRO A 67 -1.561 0.719 -5.694 1.00 0.00 N ATOM 615 CA PRO A 67 -2.992 0.714 -5.882 1.00 0.00 C ATOM 616 C PRO A 67 -3.690 -0.252 -4.940 1.00 0.00 C ATOM 617 O PRO A 67 -3.340 -0.384 -3.789 1.00 0.00 O ATOM 618 CB PRO A 67 -3.234 0.687 -7.381 1.00 0.00 C ATOM 619 CG PRO A 67 -2.081 -0.202 -7.803 1.00 0.00 C ATOM 620 CD PRO A 67 -0.929 0.143 -6.854 1.00 0.00 C ATOM 0 HA PRO A 67 -3.509 1.616 -5.554 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.205 0.266 -7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.185 1.678 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.350 -1.256 -7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.803 -0.018 -8.841 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.355 -0.745 -6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.235 0.846 -7.315 1.00 0.00 H new ATOM 621 N HIS A 68 -4.836 -0.722 -5.457 1.00 0.00 N ATOM 622 CA HIS A 68 -5.602 -1.738 -4.768 1.00 0.00 C ATOM 623 C HIS A 68 -6.920 -1.942 -5.518 1.00 0.00 C ATOM 624 O HIS A 68 -7.685 -1.002 -5.649 1.00 0.00 O ATOM 625 CB HIS A 68 -5.873 -1.265 -3.352 1.00 0.00 C ATOM 626 CG HIS A 68 -6.530 -2.343 -2.586 1.00 0.00 C ATOM 627 ND1 HIS A 68 -7.812 -2.338 -2.306 1.00 0.00 N flip ATOM 628 CD2 HIS A 68 -5.966 -3.482 -2.258 1.00 0.00 C flip ATOM 629 CE1 HIS A 68 -8.110 -3.495 -1.833 1.00 0.00 C flip ATOM 630 NE2 HIS A 68 -6.962 -4.131 -1.801 1.00 0.00 N flip ATOM 0 H HIS A 68 -5.238 -0.410 -6.341 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.056 -2.680 -4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.939 -0.979 -2.868 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.507 -0.379 -3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.934 -3.787 -2.351 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.081 -3.860 -1.531 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.874 -5.079 -1.435 1.00 0.00 H new ATOM 633 N PRO A 69 -7.104 -3.177 -6.023 1.00 0.00 N ATOM 634 CA PRO A 69 -8.324 -3.541 -6.750 1.00 0.00 C ATOM 635 C PRO A 69 -9.487 -3.674 -5.767 1.00 0.00 C ATOM 636 O PRO A 69 -9.335 -3.260 -4.624 1.00 0.00 O ATOM 637 CB PRO A 69 -7.945 -4.866 -7.416 1.00 0.00 C ATOM 638 CG PRO A 69 -6.942 -5.506 -6.456 1.00 0.00 C ATOM 639 CD PRO A 69 -6.178 -4.314 -5.882 1.00 0.00 C ATOM 0 HA PRO A 69 -8.656 -2.807 -7.484 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.819 -5.502 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.504 -4.704 -8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.444 -6.074 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.276 -6.196 -6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.910 -4.480 -4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.250 -4.139 -6.426 1.00 0.00 H new ATOM 640 N LYS A 70 -10.585 -4.278 -6.210 1.00 0.00 N ATOM 641 CA LYS A 70 -11.781 -4.544 -5.389 1.00 0.00 C ATOM 642 C LYS A 70 -12.264 -3.228 -4.765 1.00 0.00 C ATOM 643 O LYS A 70 -12.968 -2.466 -5.422 1.00 0.00 O ATOM 644 CB LYS A 70 -11.487 -5.631 -4.343 1.00 0.00 C ATOM 645 CG LYS A 70 -12.738 -5.915 -3.515 1.00 0.00 C ATOM 646 CD LYS A 70 -12.416 -6.915 -2.420 1.00 0.00 C ATOM 647 CE LYS A 70 -13.617 -7.031 -1.489 1.00 0.00 C ATOM 648 NZ LYS A 70 -13.327 -8.033 -0.463 1.00 0.00 N ATOM 0 H LYS A 70 -10.679 -4.607 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.587 -4.932 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.155 -6.543 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.675 -5.309 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.112 -4.990 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.528 -6.306 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.180 -7.887 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.536 -6.593 -1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.829 -6.067 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.505 -7.316 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.171 -8.181 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.061 -8.929 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.542 -7.702 0.134 1.00 0.00 H new ATOM 653 N GLN A 71 -11.769 -2.943 -3.565 1.00 0.00 N ATOM 654 CA GLN A 71 -12.080 -1.689 -2.885 1.00 0.00 C ATOM 655 C GLN A 71 -13.570 -1.700 -2.540 1.00 0.00 C ATOM 656 O GLN A 71 -14.176 -2.753 -2.328 1.00 0.00 O ATOM 657 CB GLN A 71 -11.662 -0.461 -3.713 1.00 0.00 C ATOM 658 CG GLN A 71 -10.149 -0.307 -3.842 1.00 0.00 C ATOM 659 CD GLN A 71 -9.492 0.163 -2.543 1.00 0.00 C ATOM 660 OE1 GLN A 71 -8.208 0.363 -2.572 1.00 0.00 O flip ATOM 661 NE2 GLN A 71 -10.092 0.484 -1.534 1.00 0.00 N flip ATOM 0 H GLN A 71 -11.150 -3.563 -3.042 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.501 -1.608 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.099 -0.537 -4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.074 0.437 -3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.715 -1.261 -4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.927 0.406 -4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.100 0.343 -1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.587 0.894 -0.749 1.00 0.00 H new ATOM 665 N ARG A 72 -14.052 -0.508 -2.235 1.00 0.00 N ATOM 666 CA ARG A 72 -15.452 -0.288 -1.876 1.00 0.00 C ATOM 667 C ARG A 72 -15.884 1.040 -2.491 1.00 0.00 C ATOM 668 O ARG A 72 -15.327 2.100 -2.222 1.00 0.00 O ATOM 669 CB ARG A 72 -15.769 -0.282 -0.372 1.00 0.00 C ATOM 670 CG ARG A 72 -15.188 0.952 0.324 1.00 0.00 C ATOM 671 CD ARG A 72 -15.514 0.974 1.789 1.00 0.00 C ATOM 672 NE ARG A 72 -15.045 2.266 2.305 1.00 0.00 N ATOM 673 CZ ARG A 72 -15.176 2.612 3.578 1.00 0.00 C ATOM 674 NH1 ARG A 72 -15.729 1.779 4.441 1.00 0.00 N ATOM 675 NH2 ARG A 72 -14.840 3.834 3.959 1.00 0.00 N ATOM 0 H ARG A 72 -13.486 0.341 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 72 -16.005 -1.143 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.849 -0.307 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.365 -1.184 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.106 0.967 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.579 1.853 -0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.586 0.859 1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.024 0.149 2.307 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.602 2.921 1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.057 0.865 4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.828 2.050 5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.483 4.501 3.275 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.938 4.108 4.937 1.00 0.00 H new ATOM 682 N PRO A 73 -16.966 0.957 -3.268 1.00 0.00 N ATOM 683 CA PRO A 73 -17.570 2.151 -3.857 1.00 0.00 C ATOM 684 C PRO A 73 -18.401 2.939 -2.823 1.00 0.00 C ATOM 685 O PRO A 73 -19.495 3.409 -3.117 1.00 0.00 O ATOM 686 CB PRO A 73 -18.381 1.567 -5.015 1.00 0.00 C ATOM 687 CG PRO A 73 -18.813 0.187 -4.519 1.00 0.00 C ATOM 688 CD PRO A 73 -17.627 -0.290 -3.689 1.00 0.00 C ATOM 0 HA PRO A 73 -16.856 2.900 -4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.242 2.192 -5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.782 1.493 -5.922 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.723 0.244 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.019 -0.490 -5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.951 -0.880 -2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.957 -0.920 -4.274 1.00 0.00 H new ATOM 689 N GLY A 74 -17.860 3.055 -1.605 1.00 0.00 N ATOM 690 CA GLY A 74 -18.591 3.696 -0.490 1.00 0.00 C ATOM 691 C GLY A 74 -18.002 3.339 0.872 1.00 0.00 C ATOM 692 O GLY A 74 -16.831 3.738 1.018 1.00 0.00 O ATOM 693 OXT GLY A 74 -18.709 2.700 1.680 1.00 99.99 O ATOM 0 H GLY A 74 -16.928 2.719 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.570 4.778 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.637 3.391 -0.522 1.00 0.00 H new TER 695 GLY A 74