USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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 NoAdj-H: B 50 LYS HZ1 : B 50 LYS NZ : A 132 GLY C :(NH2R) USER MOD NoAdj-H: B 50 LYS HZ3 : B 50 LYS NZ : A 132 GLY C :(NH2R) USER MOD Set 1.1: B 36 HIS : no HD1:sc= -0.378 K(o=-0.89,f=-2.1) USER MOD Set 1.2: B 37 HIS : no HD1:sc= -0.508 K(o=-0.89,f=-4.1!) USER MOD Single : A 109 THR OG1 : rot 59:sc= 0.52 USER MOD Single : A 110 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.68) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -81:sc= 1.2 USER MOD Single : A 122 GLN : amide:sc= -0.245 K(o=-0.25,f=-0.78) USER MOD Single : A 123 GLN : amide:sc= -0.629 K(o=-0.63,f=-5!) USER MOD Single : A 127 THR OG1 : rot -30:sc= 0.437 USER MOD Single : A 131 TYR OH : rot 143:sc= 0.321 USER MOD Single : B 26 THR OG1 : rot -21:sc= 0.849 USER MOD Single : B 29 MET CE :methyl 176:sc= -0.412 (180deg=-0.594) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= -0.0455 (180deg=-0.0455) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 106 -7.026 -0.810 12.721 1.00 0.00 N ATOM 2 CA ALA A 106 -8.000 -1.738 13.351 1.00 0.00 C ATOM 3 C ALA A 106 -7.726 -3.180 12.940 1.00 0.00 C ATOM 4 O ALA A 106 -8.654 -3.949 12.684 1.00 0.00 O ATOM 5 CB ALA A 106 -9.420 -1.341 12.978 1.00 0.00 C ATOM 0 HA ALA A 106 -7.887 -1.669 14.433 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -10.125 -2.029 13.446 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.617 -0.327 13.325 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -9.537 -1.383 11.895 1.00 0.00 H new ATOM 13 N ALA A 107 -6.444 -3.537 12.878 1.00 0.00 N ATOM 14 CA ALA A 107 -6.029 -4.885 12.499 1.00 0.00 C ATOM 15 C ALA A 107 -6.424 -5.205 11.059 1.00 0.00 C ATOM 16 O ALA A 107 -7.361 -4.621 10.515 1.00 0.00 O ATOM 17 CB ALA A 107 -6.619 -5.915 13.453 1.00 0.00 C ATOM 0 H ALA A 107 -5.671 -2.906 13.087 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.942 -4.928 12.566 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -6.299 -6.913 13.154 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.274 -5.711 14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.707 -5.859 13.422 1.00 0.00 H new ATOM 23 N ALA A 108 -5.698 -6.135 10.448 1.00 0.00 N ATOM 24 CA ALA A 108 -5.967 -6.536 9.073 1.00 0.00 C ATOM 25 C ALA A 108 -5.265 -7.847 8.737 1.00 0.00 C ATOM 26 O ALA A 108 -4.354 -8.274 9.446 1.00 0.00 O ATOM 27 CB ALA A 108 -5.531 -5.440 8.110 1.00 0.00 C ATOM 0 H ALA A 108 -4.918 -6.626 10.885 1.00 0.00 H new ATOM 0 HA ALA A 108 -7.041 -6.692 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.737 -5.752 7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.081 -4.524 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.463 -5.258 8.225 1.00 0.00 H new ATOM 33 N THR A 109 -5.695 -8.480 7.650 1.00 0.00 N ATOM 34 CA THR A 109 -5.111 -9.744 7.216 1.00 0.00 C ATOM 35 C THR A 109 -3.839 -9.517 6.405 1.00 0.00 C ATOM 36 O THR A 109 -3.856 -9.575 5.175 1.00 0.00 O ATOM 37 CB THR A 109 -6.109 -10.562 6.376 1.00 0.00 C ATOM 38 OG1 THR A 109 -6.566 -9.785 5.262 1.00 0.00 O ATOM 39 CG2 THR A 109 -7.298 -10.996 7.219 1.00 0.00 C ATOM 0 H THR A 109 -6.447 -8.137 7.053 1.00 0.00 H new ATOM 0 HA THR A 109 -4.863 -10.304 8.118 1.00 0.00 H new ATOM 0 HB THR A 109 -5.597 -11.453 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.800 -9.522 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 109 -7.989 -11.572 6.604 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.950 -11.612 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.808 -10.115 7.610 1.00 0.00 H new ATOM 47 N ASN A 110 -2.739 -9.256 7.110 1.00 0.00 N ATOM 48 CA ASN A 110 -1.442 -9.019 6.476 1.00 0.00 C ATOM 49 C ASN A 110 -1.458 -7.758 5.608 1.00 0.00 C ATOM 50 O ASN A 110 -2.507 -7.342 5.121 1.00 0.00 O ATOM 51 CB ASN A 110 -1.018 -10.223 5.632 1.00 0.00 C ATOM 52 CG ASN A 110 -0.349 -11.305 6.455 1.00 0.00 C ATOM 53 OD1 ASN A 110 -0.692 -11.522 7.618 1.00 0.00 O ATOM 54 ND2 ASN A 110 0.621 -11.986 5.856 1.00 0.00 N ATOM 0 H ASN A 110 -2.721 -9.203 8.128 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.717 -8.873 7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.894 -10.640 5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -0.335 -9.891 4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 110 1.114 -12.722 6.361 1.00 0.00 H new ATOM 0 HD22 ASN A 110 0.873 -11.773 4.891 1.00 0.00 H new ATOM 61 N PRO A 111 -0.281 -7.134 5.407 1.00 0.00 N ATOM 62 CA PRO A 111 -0.151 -5.917 4.596 1.00 0.00 C ATOM 63 C PRO A 111 -0.480 -6.161 3.125 1.00 0.00 C ATOM 64 O PRO A 111 -1.622 -5.990 2.699 1.00 0.00 O ATOM 65 CB PRO A 111 1.329 -5.530 4.755 1.00 0.00 C ATOM 66 CG PRO A 111 1.805 -6.286 5.945 1.00 0.00 C ATOM 67 CD PRO A 111 1.014 -7.559 5.953 1.00 0.00 C ATOM 0 HA PRO A 111 -0.844 -5.141 4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.902 -5.793 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.442 -4.456 4.900 1.00 0.00 H new ATOM 0 HG2 PRO A 111 2.874 -6.489 5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.644 -5.718 6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 111 1.480 -8.330 5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 111 0.915 -7.969 6.958 1.00 0.00 H new ATOM 75 N ALA A 112 0.537 -6.554 2.362 1.00 0.00 N ATOM 76 CA ALA A 112 0.393 -6.833 0.935 1.00 0.00 C ATOM 77 C ALA A 112 -0.879 -7.621 0.627 1.00 0.00 C ATOM 78 O ALA A 112 -1.608 -7.293 -0.309 1.00 0.00 O ATOM 79 CB ALA A 112 1.610 -7.591 0.431 1.00 0.00 C ATOM 0 H ALA A 112 1.484 -6.688 2.715 1.00 0.00 H new ATOM 0 HA ALA A 112 0.315 -5.876 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.496 -7.796 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.505 -6.990 0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.703 -8.532 0.973 1.00 0.00 H new ATOM 85 N ARG A 113 -1.137 -8.662 1.414 1.00 0.00 N ATOM 86 CA ARG A 113 -2.315 -9.496 1.219 1.00 0.00 C ATOM 87 C ARG A 113 -3.589 -8.658 1.216 1.00 0.00 C ATOM 88 O ARG A 113 -4.451 -8.824 0.352 1.00 0.00 O ATOM 89 CB ARG A 113 -2.388 -10.558 2.312 1.00 0.00 C ATOM 90 CG ARG A 113 -1.268 -11.583 2.242 1.00 0.00 C ATOM 91 CD ARG A 113 -1.507 -12.736 3.203 1.00 0.00 C ATOM 92 NE ARG A 113 -2.782 -13.402 2.950 1.00 0.00 N ATOM 93 CZ ARG A 113 -3.502 -14.000 3.896 1.00 0.00 C ATOM 94 NH1 ARG A 113 -3.076 -14.010 5.152 1.00 0.00 N ATOM 95 NH2 ARG A 113 -4.651 -14.586 3.585 1.00 0.00 N ATOM 0 H ARG A 113 -0.544 -8.947 2.193 1.00 0.00 H new ATOM 0 HA ARG A 113 -2.230 -9.984 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -2.360 -10.068 3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -3.346 -11.074 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.187 -11.967 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.318 -11.103 2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.696 -13.458 3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.489 -12.364 4.227 1.00 0.00 H new ATOM 0 HE ARG A 113 -3.140 -13.409 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.194 -13.558 5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.630 -14.469 5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.983 -14.578 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.203 -15.044 4.310 1.00 0.00 H new ATOM 109 N TYR A 114 -3.702 -7.759 2.188 1.00 0.00 N ATOM 110 CA TYR A 114 -4.873 -6.892 2.294 1.00 0.00 C ATOM 111 C TYR A 114 -4.842 -5.800 1.227 1.00 0.00 C ATOM 112 O TYR A 114 -5.886 -5.330 0.772 1.00 0.00 O ATOM 113 CB TYR A 114 -4.935 -6.258 3.691 1.00 0.00 C ATOM 114 CG TYR A 114 -5.817 -5.041 3.778 1.00 0.00 C ATOM 115 CD1 TYR A 114 -7.168 -5.170 4.058 1.00 0.00 C ATOM 116 CD2 TYR A 114 -5.304 -3.764 3.587 1.00 0.00 C ATOM 117 CE1 TYR A 114 -7.986 -4.067 4.143 1.00 0.00 C ATOM 118 CE2 TYR A 114 -6.118 -2.651 3.670 1.00 0.00 C ATOM 119 CZ TYR A 114 -7.459 -2.808 3.949 1.00 0.00 C ATOM 120 OH TYR A 114 -8.275 -1.702 4.034 1.00 0.00 O ATOM 0 H TYR A 114 -3.000 -7.611 2.913 1.00 0.00 H new ATOM 0 HA TYR A 114 -5.763 -7.501 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -5.293 -7.004 4.401 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -3.926 -5.984 3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.586 -6.154 4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -4.253 -3.640 3.370 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -9.037 -4.187 4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -5.707 -1.664 3.517 1.00 0.00 H new ATOM 0 HH TYR A 114 -7.747 -0.893 3.873 1.00 0.00 H new ATOM 130 N CYS A 115 -3.639 -5.410 0.832 1.00 0.00 N ATOM 131 CA CYS A 115 -3.455 -4.359 -0.160 1.00 0.00 C ATOM 132 C CYS A 115 -3.806 -4.826 -1.568 1.00 0.00 C ATOM 133 O CYS A 115 -4.138 -4.012 -2.426 1.00 0.00 O ATOM 134 CB CYS A 115 -2.010 -3.859 -0.122 1.00 0.00 C ATOM 135 SG CYS A 115 -1.634 -2.821 1.324 1.00 0.00 S ATOM 0 H CYS A 115 -2.769 -5.809 1.186 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.137 -3.547 0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -1.338 -4.717 -0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -1.808 -3.290 -1.029 1.00 0.00 H new ATOM 140 N CYS A 116 -3.742 -6.130 -1.803 1.00 0.00 N ATOM 141 CA CYS A 116 -4.046 -6.673 -3.123 1.00 0.00 C ATOM 142 C CYS A 116 -5.537 -6.947 -3.286 1.00 0.00 C ATOM 143 O CYS A 116 -6.162 -6.490 -4.242 1.00 0.00 O ATOM 144 CB CYS A 116 -3.257 -7.963 -3.360 1.00 0.00 C ATOM 145 SG CYS A 116 -3.563 -8.741 -4.981 1.00 0.00 S ATOM 0 H CYS A 116 -3.485 -6.827 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 116 -3.754 -5.926 -3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -2.193 -7.746 -3.269 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -3.505 -8.677 -2.575 1.00 0.00 H new ATOM 150 N LEU A 117 -6.096 -7.695 -2.345 1.00 0.00 N ATOM 151 CA LEU A 117 -7.509 -8.051 -2.383 1.00 0.00 C ATOM 152 C LEU A 117 -8.408 -6.843 -2.144 1.00 0.00 C ATOM 153 O LEU A 117 -8.936 -6.254 -3.088 1.00 0.00 O ATOM 154 CB LEU A 117 -7.796 -9.130 -1.346 1.00 0.00 C ATOM 155 CG LEU A 117 -7.085 -10.465 -1.583 1.00 0.00 C ATOM 156 CD1 LEU A 117 -7.347 -11.421 -0.430 1.00 0.00 C ATOM 157 CD2 LEU A 117 -7.532 -11.083 -2.900 1.00 0.00 C ATOM 0 H LEU A 117 -5.590 -8.069 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.730 -8.431 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.510 -8.753 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -8.871 -9.309 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.013 -10.277 -1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -6.834 -12.365 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.977 -10.983 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.418 -11.602 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.016 -12.031 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.608 -11.256 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.293 -10.405 -3.720 1.00 0.00 H new ATOM 169 N SER A 118 -8.583 -6.480 -0.878 1.00 0.00 N ATOM 170 CA SER A 118 -9.433 -5.353 -0.517 1.00 0.00 C ATOM 171 C SER A 118 -8.927 -4.053 -1.134 1.00 0.00 C ATOM 172 O SER A 118 -9.716 -3.175 -1.484 1.00 0.00 O ATOM 173 CB SER A 118 -9.513 -5.213 1.004 1.00 0.00 C ATOM 174 OG SER A 118 -10.348 -4.130 1.374 1.00 0.00 O ATOM 0 H SER A 118 -8.147 -6.950 -0.085 1.00 0.00 H new ATOM 0 HA SER A 118 -10.430 -5.550 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 118 -9.897 -6.137 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.513 -5.061 1.411 1.00 0.00 H new ATOM 0 HG SER A 118 -10.383 -4.063 2.351 1.00 0.00 H new ATOM 180 N GLY A 119 -7.610 -3.934 -1.264 1.00 0.00 N ATOM 181 CA GLY A 119 -7.033 -2.734 -1.838 1.00 0.00 C ATOM 182 C GLY A 119 -6.181 -1.967 -0.846 1.00 0.00 C ATOM 183 O GLY A 119 -6.125 -2.319 0.333 1.00 0.00 O ATOM 0 H GLY A 119 -6.934 -4.645 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.425 -3.004 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.833 -2.088 -2.201 1.00 0.00 H new ATOM 187 N CYS A 120 -5.514 -0.919 -1.322 1.00 0.00 N ATOM 188 CA CYS A 120 -4.666 -0.103 -0.460 1.00 0.00 C ATOM 189 C CYS A 120 -4.385 1.256 -1.086 1.00 0.00 C ATOM 190 O CYS A 120 -3.552 1.376 -1.984 1.00 0.00 O ATOM 191 CB CYS A 120 -3.345 -0.822 -0.178 1.00 0.00 C ATOM 192 SG CYS A 120 -3.248 -1.599 1.467 1.00 0.00 S ATOM 0 H CYS A 120 -5.544 -0.616 -2.296 1.00 0.00 H new ATOM 0 HA CYS A 120 -5.201 0.053 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -3.193 -1.588 -0.938 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -2.528 -0.108 -0.278 1.00 0.00 H new ATOM 197 N THR A 121 -5.084 2.279 -0.604 1.00 0.00 N ATOM 198 CA THR A 121 -4.892 3.630 -1.110 1.00 0.00 C ATOM 199 C THR A 121 -3.550 4.176 -0.647 1.00 0.00 C ATOM 200 O THR A 121 -2.882 3.561 0.184 1.00 0.00 O ATOM 201 CB THR A 121 -6.003 4.585 -0.631 1.00 0.00 C ATOM 202 OG1 THR A 121 -5.713 5.045 0.694 1.00 0.00 O ATOM 203 CG2 THR A 121 -7.356 3.895 -0.640 1.00 0.00 C ATOM 0 H THR A 121 -5.785 2.197 0.133 1.00 0.00 H new ATOM 0 HA THR A 121 -4.925 3.573 -2.198 1.00 0.00 H new ATOM 0 HB THR A 121 -6.040 5.432 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.989 4.366 1.344 1.00 0.00 H new ATOM 0 HG21 THR A 121 -8.122 4.591 -0.298 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.590 3.567 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.328 3.031 0.024 1.00 0.00 H new ATOM 211 N GLN A 122 -3.153 5.323 -1.181 1.00 0.00 N ATOM 212 CA GLN A 122 -1.888 5.934 -0.791 1.00 0.00 C ATOM 213 C GLN A 122 -1.858 6.158 0.711 1.00 0.00 C ATOM 214 O GLN A 122 -0.805 6.093 1.335 1.00 0.00 O ATOM 215 CB GLN A 122 -1.685 7.265 -1.510 1.00 0.00 C ATOM 216 CG GLN A 122 -0.348 7.913 -1.195 1.00 0.00 C ATOM 217 CD GLN A 122 -0.180 9.271 -1.844 1.00 0.00 C ATOM 218 OE1 GLN A 122 -1.157 9.967 -2.123 1.00 0.00 O ATOM 219 NE2 GLN A 122 1.069 9.659 -2.078 1.00 0.00 N ATOM 0 H GLN A 122 -3.682 5.846 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 122 -1.082 5.257 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -1.761 7.106 -2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -2.488 7.948 -1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -0.247 8.018 -0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 122 0.455 7.256 -1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 122 1.848 9.049 -1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 122 1.249 10.567 -2.506 1.00 0.00 H new ATOM 228 N GLN A 123 -3.025 6.430 1.279 1.00 0.00 N ATOM 229 CA GLN A 123 -3.145 6.655 2.714 1.00 0.00 C ATOM 230 C GLN A 123 -2.914 5.356 3.480 1.00 0.00 C ATOM 231 O GLN A 123 -2.225 5.336 4.501 1.00 0.00 O ATOM 232 CB GLN A 123 -4.529 7.217 3.049 1.00 0.00 C ATOM 233 CG GLN A 123 -4.862 8.504 2.311 1.00 0.00 C ATOM 234 CD GLN A 123 -4.109 9.705 2.850 1.00 0.00 C ATOM 235 OE1 GLN A 123 -2.992 9.581 3.351 1.00 0.00 O ATOM 236 NE2 GLN A 123 -4.722 10.879 2.750 1.00 0.00 N ATOM 0 H GLN A 123 -3.904 6.500 0.767 1.00 0.00 H new ATOM 0 HA GLN A 123 -2.386 7.378 3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -5.283 6.467 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -4.587 7.399 4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -4.630 8.381 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.933 8.691 2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -5.648 10.936 2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -4.266 11.723 3.096 1.00 0.00 H new ATOM 245 N ASP A 124 -3.492 4.269 2.974 1.00 0.00 N ATOM 246 CA ASP A 124 -3.353 2.963 3.607 1.00 0.00 C ATOM 247 C ASP A 124 -1.972 2.372 3.351 1.00 0.00 C ATOM 248 O ASP A 124 -1.535 1.467 4.060 1.00 0.00 O ATOM 249 CB ASP A 124 -4.433 2.008 3.099 1.00 0.00 C ATOM 250 CG ASP A 124 -5.830 2.465 3.470 1.00 0.00 C ATOM 251 OD1 ASP A 124 -6.404 3.285 2.725 1.00 0.00 O ATOM 252 OD2 ASP A 124 -6.350 2.004 4.509 1.00 0.00 O ATOM 0 H ASP A 124 -4.061 4.268 2.127 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.473 3.097 4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.358 1.922 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.258 1.014 3.510 1.00 0.00 H new ATOM 257 N LEU A 125 -1.286 2.892 2.338 1.00 0.00 N ATOM 258 CA LEU A 125 0.023 2.444 1.981 1.00 0.00 C ATOM 259 C LEU A 125 1.028 3.193 2.836 1.00 0.00 C ATOM 260 O LEU A 125 1.987 2.629 3.361 1.00 0.00 O ATOM 261 CB LEU A 125 0.177 2.729 0.494 1.00 0.00 C ATOM 262 CG LEU A 125 1.410 3.492 0.087 1.00 0.00 C ATOM 263 CD1 LEU A 125 2.621 2.627 0.299 1.00 0.00 C ATOM 264 CD2 LEU A 125 1.304 3.911 -1.359 1.00 0.00 C ATOM 0 H LEU A 125 -1.641 3.643 1.746 1.00 0.00 H new ATOM 0 HA LEU A 125 0.186 1.381 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.171 1.778 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.697 3.288 0.160 1.00 0.00 H new ATOM 0 HG LEU A 125 1.503 4.390 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.516 3.176 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.692 2.353 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.534 1.725 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.200 4.462 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.206 3.026 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.429 4.548 -1.490 1.00 0.00 H new ATOM 276 N LEU A 126 0.782 4.481 2.936 1.00 0.00 N ATOM 277 CA LEU A 126 1.560 5.377 3.747 1.00 0.00 C ATOM 278 C LEU A 126 1.794 4.797 5.129 1.00 0.00 C ATOM 279 O LEU A 126 2.929 4.608 5.561 1.00 0.00 O ATOM 280 CB LEU A 126 0.772 6.665 3.885 1.00 0.00 C ATOM 281 CG LEU A 126 1.605 7.898 4.122 1.00 0.00 C ATOM 282 CD1 LEU A 126 0.822 9.150 3.754 1.00 0.00 C ATOM 283 CD2 LEU A 126 2.063 7.949 5.573 1.00 0.00 C ATOM 0 H LEU A 126 0.017 4.940 2.442 1.00 0.00 H new ATOM 0 HA LEU A 126 2.530 5.544 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.182 6.811 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.068 6.556 4.710 1.00 0.00 H new ATOM 0 HG LEU A 126 2.488 7.854 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.439 10.031 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.543 9.109 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.078 9.209 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.664 8.844 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.193 7.974 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.661 7.065 5.797 1.00 0.00 H new ATOM 295 N THR A 127 0.695 4.527 5.815 1.00 0.00 N ATOM 296 CA THR A 127 0.745 3.990 7.160 1.00 0.00 C ATOM 297 C THR A 127 1.409 2.620 7.197 1.00 0.00 C ATOM 298 O THR A 127 1.707 2.100 8.273 1.00 0.00 O ATOM 299 CB THR A 127 -0.657 3.920 7.769 1.00 0.00 C ATOM 300 OG1 THR A 127 -0.597 3.379 9.096 1.00 0.00 O ATOM 301 CG2 THR A 127 -1.569 3.074 6.904 1.00 0.00 C ATOM 0 H THR A 127 -0.249 4.673 5.456 1.00 0.00 H new ATOM 0 HA THR A 127 1.353 4.669 7.758 1.00 0.00 H new ATOM 0 HB THR A 127 -1.062 4.931 7.819 1.00 0.00 H new ATOM 0 HG1 THR A 127 0.154 2.753 9.160 1.00 0.00 H new ATOM 0 HG21 THR A 127 -2.562 3.035 7.352 1.00 0.00 H new ATOM 0 HG22 THR A 127 -1.637 3.513 5.909 1.00 0.00 H new ATOM 0 HG23 THR A 127 -1.165 2.064 6.828 1.00 0.00 H new ATOM 309 N LEU A 128 1.642 2.033 6.025 1.00 0.00 N ATOM 310 CA LEU A 128 2.311 0.735 5.971 1.00 0.00 C ATOM 311 C LEU A 128 3.820 0.942 6.018 1.00 0.00 C ATOM 312 O LEU A 128 4.547 0.117 6.562 1.00 0.00 O ATOM 313 CB LEU A 128 1.893 -0.085 4.739 1.00 0.00 C ATOM 314 CG LEU A 128 0.616 -0.905 4.925 1.00 0.00 C ATOM 315 CD1 LEU A 128 -0.103 -1.119 3.604 1.00 0.00 C ATOM 316 CD2 LEU A 128 0.954 -2.234 5.550 1.00 0.00 C ATOM 0 H LEU A 128 1.384 2.424 5.119 1.00 0.00 H new ATOM 0 HA LEU A 128 2.002 0.153 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 128 1.754 0.593 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 128 2.707 -0.760 4.474 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.053 -0.350 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -1.006 -1.705 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -0.372 -0.153 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 128 0.552 -1.652 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 128 0.042 -2.817 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.641 -2.777 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.424 -2.071 6.520 1.00 0.00 H new ATOM 328 N CYS A 129 4.268 2.074 5.462 1.00 0.00 N ATOM 329 CA CYS A 129 5.681 2.466 5.449 1.00 0.00 C ATOM 330 C CYS A 129 6.542 1.756 6.506 1.00 0.00 C ATOM 331 O CYS A 129 7.525 1.105 6.155 1.00 0.00 O ATOM 332 CB CYS A 129 5.799 3.983 5.638 1.00 0.00 C ATOM 333 SG CYS A 129 7.503 4.567 5.896 1.00 0.00 S ATOM 0 H CYS A 129 3.654 2.749 5.005 1.00 0.00 H new ATOM 0 HA CYS A 129 6.068 2.158 4.478 1.00 0.00 H new ATOM 0 HB2 CYS A 129 5.384 4.481 4.762 1.00 0.00 H new ATOM 0 HB3 CYS A 129 5.191 4.281 6.492 1.00 0.00 H new ATOM 338 N PRO A 130 6.197 1.868 7.807 1.00 0.00 N ATOM 339 CA PRO A 130 6.986 1.252 8.880 1.00 0.00 C ATOM 340 C PRO A 130 6.974 -0.275 8.840 1.00 0.00 C ATOM 341 O PRO A 130 6.276 -0.923 9.618 1.00 0.00 O ATOM 342 CB PRO A 130 6.333 1.767 10.166 1.00 0.00 C ATOM 343 CG PRO A 130 4.960 2.189 9.775 1.00 0.00 C ATOM 344 CD PRO A 130 5.027 2.595 8.329 1.00 0.00 C ATOM 0 HA PRO A 130 8.040 1.516 8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 130 6.302 0.989 10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 130 6.896 2.602 10.585 1.00 0.00 H new ATOM 0 HG2 PRO A 130 4.250 1.374 9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 130 4.619 3.019 10.394 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.117 2.322 7.795 1.00 0.00 H new ATOM 0 HD3 PRO A 130 5.147 3.673 8.223 1.00 0.00 H new ATOM 352 N TYR A 131 7.768 -0.831 7.926 1.00 0.00 N ATOM 353 CA TYR A 131 7.892 -2.277 7.767 1.00 0.00 C ATOM 354 C TYR A 131 8.833 -2.595 6.607 1.00 0.00 C ATOM 355 O TYR A 131 8.719 -2.018 5.525 1.00 0.00 O ATOM 356 CB TYR A 131 6.515 -2.939 7.562 1.00 0.00 C ATOM 357 CG TYR A 131 6.182 -3.315 6.131 1.00 0.00 C ATOM 358 CD1 TYR A 131 6.564 -4.545 5.609 1.00 0.00 C ATOM 359 CD2 TYR A 131 5.480 -2.445 5.307 1.00 0.00 C ATOM 360 CE1 TYR A 131 6.257 -4.894 4.307 1.00 0.00 C ATOM 361 CE2 TYR A 131 5.169 -2.787 4.009 1.00 0.00 C ATOM 362 CZ TYR A 131 5.559 -4.012 3.512 1.00 0.00 C ATOM 363 OH TYR A 131 5.250 -4.354 2.215 1.00 0.00 O ATOM 0 H TYR A 131 8.342 -0.292 7.277 1.00 0.00 H new ATOM 0 HA TYR A 131 8.315 -2.689 8.683 1.00 0.00 H new ATOM 0 HB2 TYR A 131 6.468 -3.838 8.177 1.00 0.00 H new ATOM 0 HB3 TYR A 131 5.746 -2.260 7.930 1.00 0.00 H new ATOM 0 HD1 TYR A 131 7.110 -5.240 6.231 1.00 0.00 H new ATOM 0 HD2 TYR A 131 5.172 -1.483 5.690 1.00 0.00 H new ATOM 0 HE1 TYR A 131 6.563 -5.853 3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.622 -2.098 3.383 1.00 0.00 H new ATOM 0 HH TYR A 131 4.363 -4.004 1.987 1.00 0.00 H new ATOM 373 N GLY A 132 9.771 -3.504 6.847 1.00 0.00 N ATOM 374 CA GLY A 132 10.726 -3.876 5.817 1.00 0.00 C ATOM 375 C GLY A 132 11.587 -2.705 5.372 1.00 0.00 C ATOM 376 O GLY A 132 11.735 -1.724 6.100 1.00 0.00 O ATOM 0 H GLY A 132 9.888 -3.991 7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.368 -4.673 6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 132 10.190 -4.277 4.957 1.00 0.00 H new TER 380 GLY A 132 ATOM 381 N PRO B 25 -12.019 14.544 -7.393 1.00 0.00 N ATOM 382 CA PRO B 25 -12.475 13.431 -8.262 1.00 0.00 C ATOM 383 C PRO B 25 -12.420 12.097 -7.522 1.00 0.00 C ATOM 384 O PRO B 25 -11.349 11.515 -7.358 1.00 0.00 O ATOM 385 CB PRO B 25 -11.591 13.382 -9.500 1.00 0.00 C ATOM 386 CG PRO B 25 -10.568 14.438 -9.253 1.00 0.00 C ATOM 387 CD PRO B 25 -11.176 15.396 -8.252 1.00 0.00 C ATOM 0 HA PRO B 25 -13.512 13.606 -8.550 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -11.131 12.402 -9.624 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -12.162 13.583 -10.407 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.647 14.003 -8.865 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -10.311 14.954 -10.178 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -10.407 15.906 -7.673 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -11.766 16.167 -8.748 1.00 0.00 H new ATOM 397 N THR B 26 -13.588 11.630 -7.080 1.00 0.00 N ATOM 398 CA THR B 26 -13.711 10.364 -6.354 1.00 0.00 C ATOM 399 C THR B 26 -12.909 10.377 -5.049 1.00 0.00 C ATOM 400 O THR B 26 -11.878 11.041 -4.949 1.00 0.00 O ATOM 401 CB THR B 26 -13.260 9.160 -7.210 1.00 0.00 C ATOM 402 OG1 THR B 26 -11.831 9.110 -7.290 1.00 0.00 O ATOM 403 CG2 THR B 26 -13.847 9.241 -8.612 1.00 0.00 C ATOM 0 H THR B 26 -14.474 12.117 -7.214 1.00 0.00 H new ATOM 0 HA THR B 26 -14.770 10.254 -6.121 1.00 0.00 H new ATOM 0 HB THR B 26 -13.624 8.252 -6.729 1.00 0.00 H new ATOM 0 HG1 THR B 26 -11.461 9.995 -7.087 1.00 0.00 H new ATOM 0 HG21 THR B 26 -13.515 8.382 -9.196 1.00 0.00 H new ATOM 0 HG22 THR B 26 -14.935 9.240 -8.551 1.00 0.00 H new ATOM 0 HG23 THR B 26 -13.512 10.159 -9.094 1.00 0.00 H new ATOM 411 N PRO B 27 -13.380 9.639 -4.024 1.00 0.00 N ATOM 412 CA PRO B 27 -12.704 9.566 -2.728 1.00 0.00 C ATOM 413 C PRO B 27 -11.554 8.563 -2.728 1.00 0.00 C ATOM 414 O PRO B 27 -10.996 8.250 -3.780 1.00 0.00 O ATOM 415 CB PRO B 27 -13.821 9.108 -1.793 1.00 0.00 C ATOM 416 CG PRO B 27 -14.693 8.254 -2.649 1.00 0.00 C ATOM 417 CD PRO B 27 -14.612 8.823 -4.044 1.00 0.00 C ATOM 0 HA PRO B 27 -12.245 10.513 -2.443 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -13.425 8.548 -0.945 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -14.372 9.956 -1.386 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -14.357 7.217 -2.633 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -15.721 8.262 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.557 8.034 -4.795 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.488 9.427 -4.280 1.00 0.00 H new ATOM 425 N GLU B 28 -11.202 8.065 -1.545 1.00 0.00 N ATOM 426 CA GLU B 28 -10.116 7.094 -1.415 1.00 0.00 C ATOM 427 C GLU B 28 -10.343 5.894 -2.325 1.00 0.00 C ATOM 428 O GLU B 28 -11.171 5.028 -2.039 1.00 0.00 O ATOM 429 CB GLU B 28 -9.958 6.620 0.035 1.00 0.00 C ATOM 430 CG GLU B 28 -11.195 6.817 0.897 1.00 0.00 C ATOM 431 CD GLU B 28 -11.049 6.208 2.276 1.00 0.00 C ATOM 432 OE1 GLU B 28 -11.365 5.010 2.433 1.00 0.00 O ATOM 433 OE2 GLU B 28 -10.614 6.927 3.201 1.00 0.00 O ATOM 0 H GLU B 28 -11.651 8.316 -0.664 1.00 0.00 H new ATOM 0 HA GLU B 28 -9.198 7.598 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -9.696 5.562 0.032 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -9.124 7.154 0.490 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -11.399 7.883 0.995 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -12.056 6.373 0.397 1.00 0.00 H new ATOM 440 N MET B 29 -9.599 5.853 -3.424 1.00 0.00 N ATOM 441 CA MET B 29 -9.706 4.761 -4.380 1.00 0.00 C ATOM 442 C MET B 29 -8.528 3.805 -4.242 1.00 0.00 C ATOM 443 O MET B 29 -7.421 4.097 -4.695 1.00 0.00 O ATOM 444 CB MET B 29 -9.770 5.311 -5.804 1.00 0.00 C ATOM 445 CG MET B 29 -11.128 5.883 -6.175 1.00 0.00 C ATOM 446 SD MET B 29 -12.110 4.755 -7.188 1.00 0.00 S ATOM 447 CE MET B 29 -12.228 3.328 -6.112 1.00 0.00 C ATOM 0 H MET B 29 -8.914 6.566 -3.674 1.00 0.00 H new ATOM 0 HA MET B 29 -10.623 4.211 -4.170 1.00 0.00 H new ATOM 0 HB2 MET B 29 -9.014 6.088 -5.919 1.00 0.00 H new ATOM 0 HB3 MET B 29 -9.517 4.515 -6.504 1.00 0.00 H new ATOM 0 HG2 MET B 29 -11.679 6.119 -5.264 1.00 0.00 H new ATOM 0 HG3 MET B 29 -10.987 6.820 -6.714 1.00 0.00 H new ATOM 0 HE1 MET B 29 -12.867 2.576 -6.574 1.00 0.00 H new ATOM 0 HE2 MET B 29 -11.234 2.911 -5.951 1.00 0.00 H new ATOM 0 HE3 MET B 29 -12.655 3.628 -5.155 1.00 0.00 H new ATOM 457 N ARG B 30 -8.777 2.664 -3.611 1.00 0.00 N ATOM 458 CA ARG B 30 -7.743 1.656 -3.413 1.00 0.00 C ATOM 459 C ARG B 30 -7.155 1.211 -4.746 1.00 0.00 C ATOM 460 O ARG B 30 -7.885 0.958 -5.705 1.00 0.00 O ATOM 461 CB ARG B 30 -8.314 0.450 -2.666 1.00 0.00 C ATOM 462 CG ARG B 30 -8.338 0.617 -1.158 1.00 0.00 C ATOM 463 CD ARG B 30 -9.614 1.300 -0.698 1.00 0.00 C ATOM 464 NE ARG B 30 -9.531 1.736 0.695 1.00 0.00 N ATOM 465 CZ ARG B 30 -10.591 2.041 1.439 1.00 0.00 C ATOM 466 NH1 ARG B 30 -11.812 1.953 0.929 1.00 0.00 N ATOM 467 NH2 ARG B 30 -10.429 2.434 2.696 1.00 0.00 N ATOM 0 H ARG B 30 -9.688 2.413 -3.227 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.947 2.101 -2.816 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -9.329 0.264 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -7.724 -0.432 -2.915 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -8.253 -0.359 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -7.475 1.203 -0.841 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -9.814 2.161 -1.336 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -10.454 0.615 -0.814 1.00 0.00 H new ATOM 0 HE ARG B 30 -8.607 1.811 1.121 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -11.941 1.651 -0.037 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -12.622 2.188 1.502 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -9.492 2.502 3.092 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -11.242 2.668 3.266 1.00 0.00 H new ATOM 481 N GLU B 31 -5.831 1.120 -4.800 1.00 0.00 N ATOM 482 CA GLU B 31 -5.144 0.709 -6.017 1.00 0.00 C ATOM 483 C GLU B 31 -4.677 -0.737 -5.921 1.00 0.00 C ATOM 484 O GLU B 31 -3.635 -1.089 -6.473 1.00 0.00 O ATOM 485 CB GLU B 31 -3.944 1.614 -6.280 1.00 0.00 C ATOM 486 CG GLU B 31 -4.284 3.097 -6.280 1.00 0.00 C ATOM 487 CD GLU B 31 -3.087 3.969 -6.604 1.00 0.00 C ATOM 488 OE1 GLU B 31 -2.351 4.338 -5.665 1.00 0.00 O ATOM 489 OE2 GLU B 31 -2.887 4.283 -7.796 1.00 0.00 O ATOM 0 H GLU B 31 -5.213 1.325 -4.015 1.00 0.00 H new ATOM 0 HA GLU B 31 -5.851 0.794 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -3.184 1.425 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -3.506 1.351 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -5.074 3.285 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -4.678 3.376 -5.303 1.00 0.00 H new ATOM 496 N LYS B 32 -5.477 -1.570 -5.245 1.00 0.00 N ATOM 497 CA LYS B 32 -5.174 -2.971 -5.051 1.00 0.00 C ATOM 498 C LYS B 32 -3.693 -3.264 -5.229 1.00 0.00 C ATOM 499 O LYS B 32 -3.282 -3.989 -6.136 1.00 0.00 O ATOM 500 CB LYS B 32 -6.009 -3.782 -5.997 1.00 0.00 C ATOM 501 CG LYS B 32 -7.496 -3.533 -5.826 1.00 0.00 C ATOM 502 CD LYS B 32 -8.288 -4.816 -5.972 1.00 0.00 C ATOM 503 CE LYS B 32 -9.783 -4.569 -5.849 1.00 0.00 C ATOM 504 NZ LYS B 32 -10.575 -5.804 -6.105 1.00 0.00 N ATOM 0 H LYS B 32 -6.356 -1.277 -4.819 1.00 0.00 H new ATOM 0 HA LYS B 32 -5.416 -3.245 -4.024 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -5.721 -3.548 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -5.802 -4.841 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -7.684 -3.097 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -7.833 -2.808 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -8.072 -5.269 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -7.972 -5.528 -5.209 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.008 -4.195 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -10.082 -3.794 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.589 -5.592 -6.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.381 -6.148 -7.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -10.309 -6.536 -5.416 1.00 0.00 H new ATOM 518 N LEU B 33 -2.910 -2.676 -4.343 1.00 0.00 N ATOM 519 CA LEU B 33 -1.462 -2.821 -4.351 1.00 0.00 C ATOM 520 C LEU B 33 -1.069 -4.265 -4.079 1.00 0.00 C ATOM 521 O LEU B 33 -0.851 -4.659 -2.934 1.00 0.00 O ATOM 522 CB LEU B 33 -0.833 -1.891 -3.310 1.00 0.00 C ATOM 523 CG LEU B 33 -1.299 -0.434 -3.363 1.00 0.00 C ATOM 524 CD1 LEU B 33 -0.493 0.424 -2.400 1.00 0.00 C ATOM 525 CD2 LEU B 33 -1.197 0.115 -4.772 1.00 0.00 C ATOM 0 H LEU B 33 -3.261 -2.081 -3.593 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.090 -2.544 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -1.047 -2.287 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU B 33 0.250 -1.913 -3.435 1.00 0.00 H new ATOM 0 HG LEU B 33 -2.345 -0.404 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.841 1.456 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.622 0.050 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU B 33 0.562 0.382 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.534 1.152 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -0.161 0.066 -5.107 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -1.823 -0.477 -5.439 1.00 0.00 H new ATOM 537 N CYS B 34 -0.988 -5.049 -5.144 1.00 0.00 N ATOM 538 CA CYS B 34 -0.633 -6.455 -5.035 1.00 0.00 C ATOM 539 C CYS B 34 0.885 -6.640 -4.972 1.00 0.00 C ATOM 540 O CYS B 34 1.586 -5.828 -4.370 1.00 0.00 O ATOM 541 CB CYS B 34 -1.235 -7.232 -6.208 1.00 0.00 C ATOM 542 SG CYS B 34 -1.709 -8.941 -5.795 1.00 0.00 S ATOM 0 H CYS B 34 -1.164 -4.733 -6.098 1.00 0.00 H new ATOM 0 HA CYS B 34 -1.045 -6.848 -4.105 1.00 0.00 H new ATOM 0 HB2 CYS B 34 -2.114 -6.699 -6.571 1.00 0.00 H new ATOM 0 HB3 CYS B 34 -0.514 -7.253 -7.026 1.00 0.00 H new ATOM 547 N GLY B 35 1.380 -7.718 -5.584 1.00 0.00 N ATOM 548 CA GLY B 35 2.806 -8.008 -5.581 1.00 0.00 C ATOM 549 C GLY B 35 3.688 -6.798 -5.849 1.00 0.00 C ATOM 550 O GLY B 35 4.057 -6.074 -4.924 1.00 0.00 O ATOM 0 H GLY B 35 0.812 -8.400 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY B 35 3.077 -8.434 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY B 35 3.013 -8.768 -6.334 1.00 0.00 H new ATOM 554 N HIS B 36 4.034 -6.584 -7.116 1.00 0.00 N ATOM 555 CA HIS B 36 4.900 -5.469 -7.497 1.00 0.00 C ATOM 556 C HIS B 36 4.197 -4.121 -7.347 1.00 0.00 C ATOM 557 O HIS B 36 4.852 -3.083 -7.257 1.00 0.00 O ATOM 558 CB HIS B 36 5.387 -5.645 -8.937 1.00 0.00 C ATOM 559 CG HIS B 36 4.295 -5.565 -9.957 1.00 0.00 C ATOM 560 ND1 HIS B 36 4.110 -4.494 -10.801 1.00 0.00 N ATOM 561 CD2 HIS B 36 3.318 -6.457 -10.264 1.00 0.00 C ATOM 562 CE1 HIS B 36 3.052 -4.760 -11.579 1.00 0.00 C ATOM 563 NE2 HIS B 36 2.536 -5.939 -11.293 1.00 0.00 N ATOM 0 H HIS B 36 3.729 -7.166 -7.896 1.00 0.00 H new ATOM 0 HA HIS B 36 5.754 -5.475 -6.820 1.00 0.00 H new ATOM 0 HB2 HIS B 36 6.132 -4.880 -9.155 1.00 0.00 H new ATOM 0 HB3 HIS B 36 5.886 -6.610 -9.027 1.00 0.00 H new ATOM 0 HD2 HIS B 36 3.171 -7.415 -9.787 1.00 0.00 H new ATOM 0 HE1 HIS B 36 2.672 -4.096 -12.341 1.00 0.00 H new ATOM 0 HE2 HIS B 36 1.730 -6.381 -11.735 1.00 0.00 H new ATOM 571 N HIS B 37 2.869 -4.136 -7.321 1.00 0.00 N ATOM 572 CA HIS B 37 2.102 -2.902 -7.188 1.00 0.00 C ATOM 573 C HIS B 37 2.378 -2.229 -5.850 1.00 0.00 C ATOM 574 O HIS B 37 2.646 -1.029 -5.796 1.00 0.00 O ATOM 575 CB HIS B 37 0.607 -3.176 -7.331 1.00 0.00 C ATOM 576 CG HIS B 37 0.258 -3.973 -8.549 1.00 0.00 C ATOM 577 ND1 HIS B 37 0.023 -5.329 -8.537 1.00 0.00 N ATOM 578 CD2 HIS B 37 0.107 -3.578 -9.839 1.00 0.00 C ATOM 579 CE1 HIS B 37 -0.258 -5.709 -9.791 1.00 0.00 C ATOM 580 NE2 HIS B 37 -0.221 -4.683 -10.620 1.00 0.00 N ATOM 0 H HIS B 37 2.304 -4.982 -7.390 1.00 0.00 H new ATOM 0 HA HIS B 37 2.416 -2.230 -7.987 1.00 0.00 H new ATOM 0 HB2 HIS B 37 0.257 -3.708 -6.446 1.00 0.00 H new ATOM 0 HB3 HIS B 37 0.073 -2.226 -7.363 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.223 -2.567 -10.202 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -0.485 -6.723 -10.085 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -0.396 -4.697 -11.625 1.00 0.00 H new ATOM 588 N PHE B 38 2.311 -3.002 -4.768 1.00 0.00 N ATOM 589 CA PHE B 38 2.560 -2.459 -3.438 1.00 0.00 C ATOM 590 C PHE B 38 4.041 -2.148 -3.259 1.00 0.00 C ATOM 591 O PHE B 38 4.396 -1.116 -2.702 1.00 0.00 O ATOM 592 CB PHE B 38 2.069 -3.423 -2.347 1.00 0.00 C ATOM 593 CG PHE B 38 2.102 -2.849 -0.947 1.00 0.00 C ATOM 594 CD1 PHE B 38 2.174 -1.478 -0.735 1.00 0.00 C ATOM 595 CD2 PHE B 38 2.072 -3.684 0.161 1.00 0.00 C ATOM 596 CE1 PHE B 38 2.223 -0.965 0.542 1.00 0.00 C ATOM 597 CE2 PHE B 38 2.117 -3.171 1.437 1.00 0.00 C ATOM 598 CZ PHE B 38 2.198 -1.811 1.626 1.00 0.00 C ATOM 0 H PHE B 38 2.088 -3.997 -4.787 1.00 0.00 H new ATOM 0 HA PHE B 38 1.998 -1.530 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE B 38 1.048 -3.726 -2.579 1.00 0.00 H new ATOM 0 HB3 PHE B 38 2.682 -4.324 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE B 38 2.192 -0.807 -1.581 1.00 0.00 H new ATOM 0 HD2 PHE B 38 2.012 -4.753 0.020 1.00 0.00 H new ATOM 0 HE1 PHE B 38 2.281 0.103 0.692 1.00 0.00 H new ATOM 0 HE2 PHE B 38 2.089 -3.835 2.288 1.00 0.00 H new ATOM 0 HZ PHE B 38 2.242 -1.407 2.627 1.00 0.00 H new ATOM 608 N VAL B 39 4.900 -3.039 -3.744 1.00 0.00 N ATOM 609 CA VAL B 39 6.341 -2.839 -3.639 1.00 0.00 C ATOM 610 C VAL B 39 6.746 -1.490 -4.231 1.00 0.00 C ATOM 611 O VAL B 39 7.639 -0.816 -3.717 1.00 0.00 O ATOM 612 CB VAL B 39 7.117 -3.965 -4.352 1.00 0.00 C ATOM 613 CG1 VAL B 39 8.602 -3.643 -4.424 1.00 0.00 C ATOM 614 CG2 VAL B 39 6.892 -5.292 -3.644 1.00 0.00 C ATOM 0 H VAL B 39 4.625 -3.903 -4.212 1.00 0.00 H new ATOM 0 HA VAL B 39 6.594 -2.857 -2.579 1.00 0.00 H new ATOM 0 HB VAL B 39 6.741 -4.045 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL B 39 9.126 -4.453 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.747 -2.715 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL B 39 8.999 -3.530 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL B 39 7.446 -6.077 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL B 39 7.240 -5.218 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.829 -5.533 -3.652 1.00 0.00 H new ATOM 624 N ARG B 40 6.076 -1.102 -5.312 1.00 0.00 N ATOM 625 CA ARG B 40 6.355 0.162 -5.978 1.00 0.00 C ATOM 626 C ARG B 40 5.669 1.307 -5.255 1.00 0.00 C ATOM 627 O ARG B 40 6.320 2.236 -4.776 1.00 0.00 O ATOM 628 CB ARG B 40 5.865 0.109 -7.418 1.00 0.00 C ATOM 629 CG ARG B 40 6.389 1.246 -8.273 1.00 0.00 C ATOM 630 CD ARG B 40 5.939 1.118 -9.720 1.00 0.00 C ATOM 631 NE ARG B 40 6.581 -0.007 -10.396 1.00 0.00 N ATOM 632 CZ ARG B 40 7.090 0.065 -11.623 1.00 0.00 C ATOM 633 NH1 ARG B 40 7.032 1.201 -12.306 1.00 0.00 N ATOM 634 NH2 ARG B 40 7.660 -1.001 -12.169 1.00 0.00 N ATOM 0 H ARG B 40 5.333 -1.649 -5.746 1.00 0.00 H new ATOM 0 HA ARG B 40 7.432 0.328 -5.964 1.00 0.00 H new ATOM 0 HB2 ARG B 40 6.167 -0.839 -7.862 1.00 0.00 H new ATOM 0 HB3 ARG B 40 4.775 0.131 -7.425 1.00 0.00 H new ATOM 0 HG2 ARG B 40 6.042 2.196 -7.867 1.00 0.00 H new ATOM 0 HG3 ARG B 40 7.478 1.260 -8.231 1.00 0.00 H new ATOM 0 HD2 ARG B 40 4.857 0.991 -9.753 1.00 0.00 H new ATOM 0 HD3 ARG B 40 6.168 2.040 -10.254 1.00 0.00 H new ATOM 0 HE ARG B 40 6.642 -0.896 -9.900 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.596 2.024 -11.891 1.00 0.00 H new ATOM 0 HH12 ARG B 40 7.424 1.251 -13.246 1.00 0.00 H new ATOM 0 HH21 ARG B 40 7.708 -1.877 -11.648 1.00 0.00 H new ATOM 0 HH22 ARG B 40 8.050 -0.945 -13.110 1.00 0.00 H new ATOM 648 N ALA B 41 4.345 1.235 -5.200 1.00 0.00 N ATOM 649 CA ALA B 41 3.547 2.252 -4.526 1.00 0.00 C ATOM 650 C ALA B 41 4.155 2.600 -3.177 1.00 0.00 C ATOM 651 O ALA B 41 4.024 3.725 -2.686 1.00 0.00 O ATOM 652 CB ALA B 41 2.116 1.770 -4.342 1.00 0.00 C ATOM 0 H ALA B 41 3.799 0.480 -5.616 1.00 0.00 H new ATOM 0 HA ALA B 41 3.539 3.147 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA B 41 1.534 2.541 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA B 41 1.674 1.562 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA B 41 2.113 0.861 -3.740 1.00 0.00 H new ATOM 658 N LEU B 42 4.854 1.632 -2.598 1.00 0.00 N ATOM 659 CA LEU B 42 5.463 1.803 -1.314 1.00 0.00 C ATOM 660 C LEU B 42 6.798 2.529 -1.440 1.00 0.00 C ATOM 661 O LEU B 42 7.084 3.450 -0.674 1.00 0.00 O ATOM 662 CB LEU B 42 5.604 0.428 -0.675 1.00 0.00 C ATOM 663 CG LEU B 42 6.116 0.385 0.735 1.00 0.00 C ATOM 664 CD1 LEU B 42 5.895 1.693 1.433 1.00 0.00 C ATOM 665 CD2 LEU B 42 5.429 -0.723 1.492 1.00 0.00 C ATOM 0 H LEU B 42 5.006 0.714 -3.016 1.00 0.00 H new ATOM 0 HA LEU B 42 4.842 2.428 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU B 42 4.629 -0.058 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU B 42 6.272 -0.168 -1.297 1.00 0.00 H new ATOM 0 HG LEU B 42 7.189 0.196 0.703 1.00 0.00 H new ATOM 0 HD11 LEU B 42 6.276 1.630 2.452 1.00 0.00 H new ATOM 0 HD12 LEU B 42 6.419 2.484 0.897 1.00 0.00 H new ATOM 0 HD13 LEU B 42 4.828 1.917 1.458 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.803 -0.751 2.515 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.354 -0.543 1.504 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.632 -1.677 1.005 1.00 0.00 H new ATOM 677 N VAL B 43 7.615 2.120 -2.405 1.00 0.00 N ATOM 678 CA VAL B 43 8.888 2.776 -2.638 1.00 0.00 C ATOM 679 C VAL B 43 8.653 4.234 -3.021 1.00 0.00 C ATOM 680 O VAL B 43 9.588 5.032 -3.104 1.00 0.00 O ATOM 681 CB VAL B 43 9.688 2.063 -3.747 1.00 0.00 C ATOM 682 CG1 VAL B 43 9.397 2.663 -5.109 1.00 0.00 C ATOM 683 CG2 VAL B 43 11.168 2.116 -3.437 1.00 0.00 C ATOM 0 H VAL B 43 7.416 1.341 -3.033 1.00 0.00 H new ATOM 0 HA VAL B 43 9.471 2.729 -1.718 1.00 0.00 H new ATOM 0 HB VAL B 43 9.375 1.019 -3.777 1.00 0.00 H new ATOM 0 HG11 VAL B 43 9.976 2.138 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL B 43 8.334 2.564 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL B 43 9.671 3.718 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL B 43 11.723 1.610 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL B 43 11.490 3.156 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL B 43 11.358 1.621 -2.485 1.00 0.00 H new ATOM 693 N ARG B 44 7.385 4.565 -3.249 1.00 0.00 N ATOM 694 CA ARG B 44 6.985 5.911 -3.631 1.00 0.00 C ATOM 695 C ARG B 44 6.685 6.795 -2.422 1.00 0.00 C ATOM 696 O ARG B 44 7.324 7.830 -2.232 1.00 0.00 O ATOM 697 CB ARG B 44 5.759 5.848 -4.533 1.00 0.00 C ATOM 698 CG ARG B 44 5.180 7.212 -4.867 1.00 0.00 C ATOM 699 CD ARG B 44 3.867 7.093 -5.623 1.00 0.00 C ATOM 700 NE ARG B 44 2.801 6.537 -4.792 1.00 0.00 N ATOM 701 CZ ARG B 44 1.637 6.110 -5.273 1.00 0.00 C ATOM 702 NH1 ARG B 44 1.393 6.162 -6.576 1.00 0.00 N ATOM 703 NH2 ARG B 44 0.714 5.630 -4.450 1.00 0.00 N ATOM 0 H ARG B 44 6.609 3.907 -3.174 1.00 0.00 H new ATOM 0 HA ARG B 44 7.824 6.359 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG B 44 6.025 5.339 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG B 44 4.991 5.246 -4.047 1.00 0.00 H new ATOM 0 HG2 ARG B 44 5.021 7.775 -3.948 1.00 0.00 H new ATOM 0 HG3 ARG B 44 5.896 7.775 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.568 8.076 -5.985 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.010 6.461 -6.499 1.00 0.00 H new ATOM 0 HE ARG B 44 2.959 6.473 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG B 44 2.099 6.530 -7.213 1.00 0.00 H new ATOM 0 HH12 ARG B 44 0.499 5.833 -6.941 1.00 0.00 H new ATOM 0 HH21 ARG B 44 0.897 5.588 -3.447 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -0.178 5.303 -4.820 1.00 0.00 H new ATOM 717 N VAL B 45 5.714 6.390 -1.604 1.00 0.00 N ATOM 718 CA VAL B 45 5.324 7.194 -0.447 1.00 0.00 C ATOM 719 C VAL B 45 6.283 7.056 0.738 1.00 0.00 C ATOM 720 O VAL B 45 6.571 8.042 1.416 1.00 0.00 O ATOM 721 CB VAL B 45 3.879 6.880 0.008 1.00 0.00 C ATOM 722 CG1 VAL B 45 2.998 6.552 -1.183 1.00 0.00 C ATOM 723 CG2 VAL B 45 3.837 5.746 1.016 1.00 0.00 C ATOM 0 H VAL B 45 5.190 5.523 -1.718 1.00 0.00 H new ATOM 0 HA VAL B 45 5.374 8.229 -0.787 1.00 0.00 H new ATOM 0 HB VAL B 45 3.495 7.776 0.497 1.00 0.00 H new ATOM 0 HG11 VAL B 45 1.987 6.335 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL B 45 2.975 7.403 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL B 45 3.399 5.682 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL B 45 2.804 5.558 1.309 1.00 0.00 H new ATOM 0 HG22 VAL B 45 4.257 4.845 0.568 1.00 0.00 H new ATOM 0 HG23 VAL B 45 4.420 6.019 1.896 1.00 0.00 H new ATOM 733 N CYS B 46 6.781 5.849 0.991 1.00 0.00 N ATOM 734 CA CYS B 46 7.690 5.637 2.114 1.00 0.00 C ATOM 735 C CYS B 46 9.143 5.546 1.655 1.00 0.00 C ATOM 736 O CYS B 46 10.056 5.868 2.415 1.00 0.00 O ATOM 737 CB CYS B 46 7.298 4.380 2.894 1.00 0.00 C ATOM 738 SG CYS B 46 8.461 3.946 4.226 1.00 0.00 S ATOM 0 H CYS B 46 6.575 5.014 0.443 1.00 0.00 H new ATOM 0 HA CYS B 46 7.604 6.502 2.772 1.00 0.00 H new ATOM 0 HB2 CYS B 46 6.307 4.525 3.323 1.00 0.00 H new ATOM 0 HB3 CYS B 46 7.226 3.542 2.201 1.00 0.00 H new ATOM 743 N GLY B 47 9.344 5.122 0.410 1.00 0.00 N ATOM 744 CA GLY B 47 10.689 4.995 -0.142 1.00 0.00 C ATOM 745 C GLY B 47 11.702 4.405 0.832 1.00 0.00 C ATOM 746 O GLY B 47 12.319 5.132 1.611 1.00 0.00 O ATOM 0 H GLY B 47 8.596 4.862 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY B 47 10.648 4.368 -1.033 1.00 0.00 H new ATOM 0 HA3 GLY B 47 11.035 5.978 -0.460 1.00 0.00 H new ATOM 750 N GLY B 48 11.887 3.087 0.773 1.00 0.00 N ATOM 751 CA GLY B 48 12.837 2.422 1.655 1.00 0.00 C ATOM 752 C GLY B 48 14.093 1.977 0.925 1.00 0.00 C ATOM 753 O GLY B 48 14.200 2.157 -0.289 1.00 0.00 O ATOM 0 H GLY B 48 11.396 2.466 0.130 1.00 0.00 H new ATOM 0 HA2 GLY B 48 13.111 3.098 2.465 1.00 0.00 H new ATOM 0 HA3 GLY B 48 12.359 1.555 2.111 1.00 0.00 H new ATOM 757 N PRO B 49 15.067 1.391 1.643 1.00 0.00 N ATOM 758 CA PRO B 49 16.322 0.930 1.056 1.00 0.00 C ATOM 759 C PRO B 49 16.282 -0.526 0.581 1.00 0.00 C ATOM 760 O PRO B 49 17.296 -1.058 0.126 1.00 0.00 O ATOM 761 CB PRO B 49 17.297 1.082 2.219 1.00 0.00 C ATOM 762 CG PRO B 49 16.475 0.846 3.448 1.00 0.00 C ATOM 763 CD PRO B 49 15.036 1.154 3.096 1.00 0.00 C ATOM 0 HA PRO B 49 16.581 1.492 0.159 1.00 0.00 H new ATOM 0 HB2 PRO B 49 18.113 0.363 2.146 1.00 0.00 H new ATOM 0 HB3 PRO B 49 17.747 2.075 2.230 1.00 0.00 H new ATOM 0 HG2 PRO B 49 16.575 -0.186 3.785 1.00 0.00 H new ATOM 0 HG3 PRO B 49 16.815 1.482 4.265 1.00 0.00 H new ATOM 0 HD2 PRO B 49 14.376 0.324 3.351 1.00 0.00 H new ATOM 0 HD3 PRO B 49 14.672 2.028 3.635 1.00 0.00 H new ATOM 771 N LYS B 50 15.120 -1.168 0.684 1.00 0.00 N ATOM 772 CA LYS B 50 14.983 -2.562 0.257 1.00 0.00 C ATOM 773 C LYS B 50 14.514 -2.645 -1.198 1.00 0.00 C ATOM 774 O LYS B 50 15.323 -2.799 -2.114 1.00 0.00 O ATOM 775 CB LYS B 50 14.001 -3.315 1.162 1.00 0.00 C ATOM 776 CG LYS B 50 14.509 -3.538 2.580 1.00 0.00 C ATOM 777 CD LYS B 50 14.444 -2.264 3.409 1.00 0.00 C ATOM 778 CE LYS B 50 13.011 -1.781 3.586 1.00 0.00 C ATOM 779 NZ LYS B 50 12.153 -2.810 4.173 1.00 0.00 N ATOM 0 H LYS B 50 14.266 -0.752 1.056 1.00 0.00 H new ATOM 0 HA LYS B 50 15.964 -3.030 0.336 1.00 0.00 H new ATOM 0 HB2 LYS B 50 13.065 -2.759 1.206 1.00 0.00 H new ATOM 0 HB3 LYS B 50 13.777 -4.282 0.712 1.00 0.00 H new ATOM 0 HG2 LYS B 50 13.915 -4.316 3.061 1.00 0.00 H new ATOM 0 HG3 LYS B 50 15.537 -3.897 2.546 1.00 0.00 H new ATOM 0 HD2 LYS B 50 14.891 -2.443 4.387 1.00 0.00 H new ATOM 0 HD3 LYS B 50 15.034 -1.485 2.926 1.00 0.00 H new ATOM 0 HE2 LYS B 50 13.003 -0.896 4.223 1.00 0.00 H new ATOM 0 HE3 LYS B 50 12.608 -1.481 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 11.187 -2.439 4.276 1.00 0.00 H new ATOM 791 N TRP B 51 13.199 -2.553 -1.384 1.00 0.00 N ATOM 792 CA TRP B 51 12.569 -2.596 -2.708 1.00 0.00 C ATOM 793 C TRP B 51 13.394 -1.843 -3.749 1.00 0.00 C ATOM 794 O TRP B 51 13.266 -0.603 -3.821 1.00 0.00 O ATOM 795 CB TRP B 51 11.161 -1.991 -2.621 1.00 0.00 C ATOM 796 CG TRP B 51 10.947 -1.226 -1.352 1.00 0.00 C ATOM 797 CD1 TRP B 51 11.666 -0.154 -0.913 1.00 0.00 C ATOM 798 CD2 TRP B 51 9.969 -1.490 -0.342 1.00 0.00 C ATOM 799 NE1 TRP B 51 11.204 0.252 0.310 1.00 0.00 N ATOM 800 CE2 TRP B 51 10.165 -0.548 0.683 1.00 0.00 C ATOM 801 CE3 TRP B 51 8.951 -2.430 -0.201 1.00 0.00 C ATOM 802 CZ2 TRP B 51 9.386 -0.524 1.831 1.00 0.00 C ATOM 803 CZ3 TRP B 51 8.174 -2.404 0.934 1.00 0.00 C ATOM 804 CH2 TRP B 51 8.399 -1.460 1.939 1.00 0.00 C ATOM 805 OXT TRP B 51 14.156 -2.502 -4.487 1.00 0.00 O ATOM 0 H TRP B 51 12.534 -2.446 -0.618 1.00 0.00 H new ATOM 0 HA TRP B 51 12.509 -3.638 -3.023 1.00 0.00 H new ATOM 0 HB2 TRP B 51 10.999 -1.330 -3.472 1.00 0.00 H new ATOM 0 HB3 TRP B 51 10.421 -2.788 -2.691 1.00 0.00 H new ATOM 0 HD1 TRP B 51 12.481 0.307 -1.451 1.00 0.00 H new ATOM 0 HE1 TRP B 51 11.577 1.029 0.855 1.00 0.00 H new ATOM 0 HE3 TRP B 51 8.774 -3.167 -0.970 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 9.554 0.207 2.608 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 7.378 -3.124 1.050 1.00 0.00 H new ATOM 0 HH2 TRP B 51 7.777 -1.471 2.822 1.00 0.00 H new TER 816 TRP B 51