USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 496 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 Single : A 1 MET CE :methyl -116:sc= -6.01! (180deg=-16.9!) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.944 (180deg=-1.02!) USER MOD Single : A 2 GLN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 71:sc= 1.14 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -73:sc= 0.911 USER MOD Single : A 13 ASN : amide:sc= -0.126 K(o=-0.13,f=-3.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.0419 (180deg=-0.13) USER MOD Single : A 22 ASN : amide:sc= -4.64! C(o=-4.6!,f=-5.6!) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00362) USER MOD Single : A 28 SER OG : rot 180:sc= -0.339 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00801 USER MOD Single : A 52 SER OG : rot -110:sc= -0.388 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 58:sc= 0.0425 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.461 USER MOD Single : A 65 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5.5!) USER MOD Single : A 67 ASN : amide:sc= -15.7! C(o=-16!,f=-16!) USER MOD Single : A 68 HIS : no HD1:sc= -3.04 K(o=-3,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.852 11.457 -1.883 1.00 0.00 N ATOM 2 CA MET A 1 10.066 10.662 -0.897 1.00 0.00 C ATOM 3 C MET A 1 10.502 9.201 -0.946 1.00 0.00 C ATOM 4 O MET A 1 11.273 8.795 -1.793 1.00 0.00 O ATOM 5 CB MET A 1 8.575 10.739 -1.235 1.00 0.00 C ATOM 6 CG MET A 1 8.363 10.357 -2.698 1.00 0.00 C ATOM 7 SD MET A 1 8.712 11.783 -3.757 1.00 0.00 S ATOM 8 CE MET A 1 8.335 10.984 -5.335 1.00 0.00 C ATOM 0 H1 MET A 1 11.470 12.124 -1.378 1.00 0.00 H new ATOM 0 H2 MET A 1 11.433 10.817 -2.461 1.00 0.00 H new ATOM 0 H3 MET A 1 10.202 11.986 -2.499 1.00 0.00 H new ATOM 0 HA MET A 1 10.241 11.069 0.099 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.010 10.069 -0.588 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.202 11.747 -1.054 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.015 9.525 -2.965 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.338 10.020 -2.851 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.238 10.935 -5.943 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.965 9.975 -5.153 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.574 11.560 -5.862 1.00 0.00 H new ATOM 20 N GLN A 2 9.989 8.407 -0.053 1.00 0.00 N ATOM 21 CA GLN A 2 10.333 6.966 -0.038 1.00 0.00 C ATOM 22 C GLN A 2 9.197 6.205 0.638 1.00 0.00 C ATOM 23 O GLN A 2 8.869 6.441 1.784 1.00 0.00 O ATOM 24 CB GLN A 2 11.646 6.738 0.719 1.00 0.00 C ATOM 25 CG GLN A 2 12.803 7.371 -0.055 1.00 0.00 C ATOM 26 CD GLN A 2 14.095 7.233 0.751 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.890 8.150 0.808 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.340 6.117 1.383 1.00 0.00 N ATOM 0 H GLN A 2 9.338 8.701 0.675 1.00 0.00 H new ATOM 0 HA GLN A 2 10.465 6.608 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.582 7.173 1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.823 5.670 0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.914 6.886 -1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.593 8.423 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.673 5.347 1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.199 6.015 1.924 1.00 0.00 H new ATOM 37 N CYS A 3 8.582 5.306 -0.073 1.00 0.00 N ATOM 38 CA CYS A 3 7.449 4.539 0.510 1.00 0.00 C ATOM 39 C CYS A 3 7.370 3.168 -0.156 1.00 0.00 C ATOM 40 O CYS A 3 7.029 3.035 -1.314 1.00 0.00 O ATOM 41 CB CYS A 3 6.152 5.324 0.293 1.00 0.00 C ATOM 42 SG CYS A 3 6.197 6.812 1.314 1.00 0.00 S ATOM 0 H CYS A 3 8.816 5.068 -1.037 1.00 0.00 H new ATOM 0 HA CYS A 3 7.600 4.396 1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.043 5.590 -0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.291 4.711 0.557 1.00 0.00 H new ATOM 47 N LYS A 4 7.705 2.153 0.583 1.00 0.00 N ATOM 48 CA LYS A 4 7.685 0.772 0.044 1.00 0.00 C ATOM 49 C LYS A 4 6.254 0.390 -0.357 1.00 0.00 C ATOM 50 O LYS A 4 5.302 0.672 0.344 1.00 0.00 O ATOM 51 CB LYS A 4 8.225 -0.161 1.144 1.00 0.00 C ATOM 52 CG LYS A 4 7.546 -1.531 1.099 1.00 0.00 C ATOM 53 CD LYS A 4 8.046 -2.311 -0.119 1.00 0.00 C ATOM 54 CE LYS A 4 9.574 -2.382 -0.086 1.00 0.00 C ATOM 55 NZ LYS A 4 10.049 -3.361 -1.103 1.00 0.00 N ATOM 0 H LYS A 4 7.998 2.225 1.557 1.00 0.00 H new ATOM 0 HA LYS A 4 8.306 0.688 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.301 -0.283 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.063 0.295 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.762 -2.085 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.464 -1.410 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.624 -3.316 -0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.713 -1.826 -1.037 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.999 -1.398 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.913 -2.679 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.088 -3.409 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.654 -4.300 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.737 -3.059 -2.048 1.00 0.00 H new ATOM 69 N THR A 5 6.106 -0.265 -1.477 1.00 0.00 N ATOM 70 CA THR A 5 4.752 -0.688 -1.930 1.00 0.00 C ATOM 71 C THR A 5 4.844 -2.100 -2.513 1.00 0.00 C ATOM 72 O THR A 5 4.806 -2.292 -3.712 1.00 0.00 O ATOM 73 CB THR A 5 4.244 0.275 -3.005 1.00 0.00 C ATOM 74 OG1 THR A 5 4.956 0.049 -4.214 1.00 0.00 O ATOM 75 CG2 THR A 5 4.461 1.716 -2.544 1.00 0.00 C ATOM 0 H THR A 5 6.870 -0.526 -2.100 1.00 0.00 H new ATOM 0 HA THR A 5 4.062 -0.678 -1.086 1.00 0.00 H new ATOM 0 HB THR A 5 3.180 0.107 -3.172 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.682 -0.809 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.099 2.402 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.915 1.887 -1.616 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.524 1.888 -2.376 1.00 0.00 H new ATOM 83 N CYS A 6 4.976 -3.090 -1.672 1.00 0.00 N ATOM 84 CA CYS A 6 5.082 -4.489 -2.177 1.00 0.00 C ATOM 85 C CYS A 6 3.687 -5.103 -2.298 1.00 0.00 C ATOM 86 O CYS A 6 2.685 -4.441 -2.116 1.00 0.00 O ATOM 87 CB CYS A 6 5.917 -5.321 -1.199 1.00 0.00 C ATOM 88 SG CYS A 6 4.988 -5.570 0.336 1.00 0.00 S ATOM 0 H CYS A 6 5.015 -2.991 -0.658 1.00 0.00 H new ATOM 0 HA CYS A 6 5.560 -4.482 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.166 -6.284 -1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.859 -4.815 -0.988 1.00 0.00 H new ATOM 93 N SER A 7 3.620 -6.371 -2.598 1.00 0.00 N ATOM 94 CA SER A 7 2.296 -7.040 -2.723 1.00 0.00 C ATOM 95 C SER A 7 2.082 -7.943 -1.510 1.00 0.00 C ATOM 96 O SER A 7 0.967 -8.247 -1.134 1.00 0.00 O ATOM 97 CB SER A 7 2.264 -7.880 -4.000 1.00 0.00 C ATOM 98 OG SER A 7 2.548 -7.048 -5.117 1.00 0.00 O ATOM 0 H SER A 7 4.427 -6.973 -2.762 1.00 0.00 H new ATOM 0 HA SER A 7 1.506 -6.290 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.995 -8.686 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.286 -8.346 -4.118 1.00 0.00 H new ATOM 0 HG SER A 7 2.530 -7.584 -5.937 1.00 0.00 H new ATOM 104 N PHE A 8 3.148 -8.368 -0.889 1.00 0.00 N ATOM 105 CA PHE A 8 3.017 -9.245 0.307 1.00 0.00 C ATOM 106 C PHE A 8 2.535 -8.407 1.492 1.00 0.00 C ATOM 107 O PHE A 8 2.256 -7.232 1.361 1.00 0.00 O ATOM 108 CB PHE A 8 4.379 -9.858 0.641 1.00 0.00 C ATOM 109 CG PHE A 8 4.280 -11.364 0.605 1.00 0.00 C ATOM 110 CD1 PHE A 8 3.911 -12.070 1.756 1.00 0.00 C ATOM 111 CD2 PHE A 8 4.560 -12.054 -0.580 1.00 0.00 C ATOM 112 CE1 PHE A 8 3.821 -13.466 1.721 1.00 0.00 C ATOM 113 CE2 PHE A 8 4.470 -13.450 -0.615 1.00 0.00 C ATOM 114 CZ PHE A 8 4.101 -14.157 0.536 1.00 0.00 C ATOM 0 H PHE A 8 4.106 -8.145 -1.160 1.00 0.00 H new ATOM 0 HA PHE A 8 2.301 -10.041 0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.128 -9.516 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.705 -9.529 1.627 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.696 -11.538 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.846 -11.509 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.535 -14.011 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.685 -13.982 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.032 -15.234 0.510 1.00 0.00 H new ATOM 124 N TYR A 9 2.440 -9.002 2.647 1.00 0.00 N ATOM 125 CA TYR A 9 1.981 -8.239 3.843 1.00 0.00 C ATOM 126 C TYR A 9 3.140 -8.115 4.828 1.00 0.00 C ATOM 127 O TYR A 9 2.974 -8.278 6.020 1.00 0.00 O ATOM 128 CB TYR A 9 0.815 -8.967 4.532 1.00 0.00 C ATOM 129 CG TYR A 9 0.536 -10.284 3.845 1.00 0.00 C ATOM 130 CD1 TYR A 9 0.105 -10.299 2.514 1.00 0.00 C ATOM 131 CD2 TYR A 9 0.705 -11.487 4.541 1.00 0.00 C ATOM 132 CE1 TYR A 9 -0.156 -11.517 1.876 1.00 0.00 C ATOM 133 CE2 TYR A 9 0.443 -12.706 3.904 1.00 0.00 C ATOM 134 CZ TYR A 9 0.012 -12.721 2.572 1.00 0.00 C ATOM 135 OH TYR A 9 -0.247 -13.922 1.943 1.00 0.00 O ATOM 0 H TYR A 9 2.660 -9.984 2.816 1.00 0.00 H new ATOM 0 HA TYR A 9 1.644 -7.252 3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.055 -9.141 5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.077 -8.341 4.509 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.026 -9.370 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.037 -11.475 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.487 -11.529 0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.573 -13.634 4.440 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.080 -14.660 2.566 1.00 0.00 H new ATOM 145 N THR A 10 4.318 -7.839 4.341 1.00 0.00 N ATOM 146 CA THR A 10 5.480 -7.719 5.260 1.00 0.00 C ATOM 147 C THR A 10 6.747 -7.402 4.458 1.00 0.00 C ATOM 148 O THR A 10 7.643 -8.214 4.342 1.00 0.00 O ATOM 149 CB THR A 10 5.658 -9.038 6.025 1.00 0.00 C ATOM 150 OG1 THR A 10 7.034 -9.241 6.316 1.00 0.00 O ATOM 151 CG2 THR A 10 5.133 -10.201 5.178 1.00 0.00 C ATOM 0 H THR A 10 4.524 -7.692 3.353 1.00 0.00 H new ATOM 0 HA THR A 10 5.303 -6.911 5.969 1.00 0.00 H new ATOM 0 HB THR A 10 5.096 -8.991 6.958 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.510 -9.480 5.494 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.261 -11.136 5.724 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.075 -10.047 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.689 -10.249 4.242 1.00 0.00 H new ATOM 159 N CYS A 11 6.834 -6.218 3.917 1.00 0.00 N ATOM 160 CA CYS A 11 8.051 -5.842 3.142 1.00 0.00 C ATOM 161 C CYS A 11 8.757 -4.699 3.873 1.00 0.00 C ATOM 162 O CYS A 11 8.472 -3.542 3.636 1.00 0.00 O ATOM 163 CB CYS A 11 7.672 -5.394 1.726 1.00 0.00 C ATOM 164 SG CYS A 11 6.055 -4.581 1.739 1.00 0.00 S ATOM 0 H CYS A 11 6.117 -5.495 3.978 1.00 0.00 H new ATOM 0 HA CYS A 11 8.711 -6.706 3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.428 -4.711 1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.649 -6.255 1.058 1.00 0.00 H new ATOM 169 N PRO A 12 9.649 -5.063 4.758 1.00 0.00 N ATOM 170 CA PRO A 12 10.405 -4.095 5.564 1.00 0.00 C ATOM 171 C PRO A 12 11.529 -3.480 4.734 1.00 0.00 C ATOM 172 O PRO A 12 12.180 -2.541 5.148 1.00 0.00 O ATOM 173 CB PRO A 12 10.968 -4.942 6.709 1.00 0.00 C ATOM 174 CG PRO A 12 10.986 -6.403 6.200 1.00 0.00 C ATOM 175 CD PRO A 12 9.987 -6.473 5.031 1.00 0.00 C ATOM 0 HA PRO A 12 9.798 -3.262 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.971 -4.612 6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.350 -4.849 7.602 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.986 -6.687 5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.702 -7.094 6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.429 -6.953 4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.102 -7.050 5.298 1.00 0.00 H new ATOM 183 N ASN A 13 11.760 -4.000 3.563 1.00 0.00 N ATOM 184 CA ASN A 13 12.842 -3.438 2.706 1.00 0.00 C ATOM 185 C ASN A 13 12.547 -1.963 2.430 1.00 0.00 C ATOM 186 O ASN A 13 11.554 -1.426 2.879 1.00 0.00 O ATOM 187 CB ASN A 13 12.903 -4.206 1.385 1.00 0.00 C ATOM 188 CG ASN A 13 13.809 -5.428 1.549 1.00 0.00 C ATOM 189 OD1 ASN A 13 14.445 -5.593 2.570 1.00 0.00 O ATOM 190 ND2 ASN A 13 13.893 -6.298 0.580 1.00 0.00 N ATOM 0 H ASN A 13 11.250 -4.787 3.162 1.00 0.00 H new ATOM 0 HA ASN A 13 13.800 -3.531 3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.902 -4.519 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.284 -3.561 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.493 -7.117 0.680 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.359 -6.159 -0.278 1.00 0.00 H new ATOM 197 N SER A 14 13.401 -1.300 1.700 1.00 0.00 N ATOM 198 CA SER A 14 13.164 0.142 1.404 1.00 0.00 C ATOM 199 C SER A 14 12.864 0.316 -0.085 1.00 0.00 C ATOM 200 O SER A 14 13.321 -0.447 -0.913 1.00 0.00 O ATOM 201 CB SER A 14 14.409 0.949 1.772 1.00 0.00 C ATOM 202 OG SER A 14 15.126 0.269 2.794 1.00 0.00 O ATOM 0 H SER A 14 14.251 -1.693 1.296 1.00 0.00 H new ATOM 0 HA SER A 14 12.315 0.497 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 14 15.042 1.082 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.123 1.944 2.113 1.00 0.00 H new ATOM 0 HG SER A 14 15.926 0.784 3.030 1.00 0.00 H new ATOM 208 N GLU A 15 12.098 1.315 -0.435 1.00 0.00 N ATOM 209 CA GLU A 15 11.773 1.531 -1.873 1.00 0.00 C ATOM 210 C GLU A 15 11.393 2.996 -2.106 1.00 0.00 C ATOM 211 O GLU A 15 10.260 3.395 -1.919 1.00 0.00 O ATOM 212 CB GLU A 15 10.601 0.631 -2.271 1.00 0.00 C ATOM 213 CG GLU A 15 10.779 0.171 -3.720 1.00 0.00 C ATOM 214 CD GLU A 15 9.411 -0.136 -4.331 1.00 0.00 C ATOM 215 OE1 GLU A 15 8.677 0.802 -4.593 1.00 0.00 O ATOM 216 OE2 GLU A 15 9.120 -1.305 -4.527 1.00 0.00 O ATOM 0 H GLU A 15 11.685 1.988 0.211 1.00 0.00 H new ATOM 0 HA GLU A 15 12.645 1.286 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.550 -0.233 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.661 1.171 -2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.282 0.945 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.412 -0.716 -3.756 1.00 0.00 H new ATOM 223 N THR A 16 12.337 3.798 -2.514 1.00 0.00 N ATOM 224 CA THR A 16 12.050 5.238 -2.764 1.00 0.00 C ATOM 225 C THR A 16 10.934 5.365 -3.807 1.00 0.00 C ATOM 226 O THR A 16 10.751 4.504 -4.644 1.00 0.00 O ATOM 227 CB THR A 16 13.319 5.920 -3.286 1.00 0.00 C ATOM 228 OG1 THR A 16 14.305 5.925 -2.263 1.00 0.00 O ATOM 229 CG2 THR A 16 13.003 7.359 -3.697 1.00 0.00 C ATOM 0 H THR A 16 13.302 3.515 -2.686 1.00 0.00 H new ATOM 0 HA THR A 16 11.732 5.715 -1.837 1.00 0.00 H new ATOM 0 HB THR A 16 13.692 5.374 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.118 6.359 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.909 7.839 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.247 7.355 -4.482 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.627 7.910 -2.835 1.00 0.00 H new ATOM 237 N CYS A 17 10.176 6.429 -3.754 1.00 0.00 N ATOM 238 CA CYS A 17 9.063 6.608 -4.730 1.00 0.00 C ATOM 239 C CYS A 17 9.414 7.726 -5.725 1.00 0.00 C ATOM 240 O CYS A 17 9.823 8.798 -5.326 1.00 0.00 O ATOM 241 CB CYS A 17 7.794 6.978 -3.961 1.00 0.00 C ATOM 242 SG CYS A 17 7.340 5.595 -2.885 1.00 0.00 S ATOM 0 H CYS A 17 10.281 7.183 -3.075 1.00 0.00 H new ATOM 0 HA CYS A 17 8.905 5.683 -5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.960 7.878 -3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.983 7.198 -4.655 1.00 0.00 H new ATOM 247 N PRO A 18 9.255 7.437 -6.997 1.00 0.00 N ATOM 248 CA PRO A 18 9.559 8.395 -8.077 1.00 0.00 C ATOM 249 C PRO A 18 8.384 9.356 -8.307 1.00 0.00 C ATOM 250 O PRO A 18 7.516 9.508 -7.470 1.00 0.00 O ATOM 251 CB PRO A 18 9.750 7.496 -9.300 1.00 0.00 C ATOM 252 CG PRO A 18 8.989 6.180 -9.001 1.00 0.00 C ATOM 253 CD PRO A 18 8.767 6.129 -7.478 1.00 0.00 C ATOM 0 HA PRO A 18 10.424 9.020 -7.855 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.360 7.975 -10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.808 7.301 -9.477 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.037 6.155 -9.531 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.563 5.317 -9.337 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.715 5.982 -7.234 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.318 5.306 -7.022 1.00 0.00 H new ATOM 261 N ASP A 19 8.352 9.995 -9.448 1.00 0.00 N ATOM 262 CA ASP A 19 7.238 10.939 -9.759 1.00 0.00 C ATOM 263 C ASP A 19 7.290 12.147 -8.822 1.00 0.00 C ATOM 264 O ASP A 19 8.057 12.185 -7.880 1.00 0.00 O ATOM 265 CB ASP A 19 5.897 10.225 -9.584 1.00 0.00 C ATOM 266 CG ASP A 19 5.263 9.985 -10.954 1.00 0.00 C ATOM 267 OD1 ASP A 19 4.746 10.935 -11.519 1.00 0.00 O ATOM 268 OD2 ASP A 19 5.304 8.857 -11.415 1.00 0.00 O ATOM 0 H ASP A 19 9.054 9.902 -10.182 1.00 0.00 H new ATOM 0 HA ASP A 19 7.344 11.280 -10.789 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.043 9.276 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.232 10.826 -8.964 1.00 0.00 H new ATOM 273 N GLY A 20 6.472 13.136 -9.075 1.00 0.00 N ATOM 274 CA GLY A 20 6.463 14.344 -8.203 1.00 0.00 C ATOM 275 C GLY A 20 5.514 14.114 -7.028 1.00 0.00 C ATOM 276 O GLY A 20 5.112 15.039 -6.351 1.00 0.00 O ATOM 0 H GLY A 20 5.809 13.157 -9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.469 14.550 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.147 15.217 -8.775 1.00 0.00 H new ATOM 280 N LYS A 21 5.164 12.885 -6.770 1.00 0.00 N ATOM 281 CA LYS A 21 4.257 12.596 -5.632 1.00 0.00 C ATOM 282 C LYS A 21 5.080 12.656 -4.353 1.00 0.00 C ATOM 283 O LYS A 21 6.098 13.316 -4.309 1.00 0.00 O ATOM 284 CB LYS A 21 3.640 11.211 -5.813 1.00 0.00 C ATOM 285 CG LYS A 21 4.733 10.216 -6.185 1.00 0.00 C ATOM 286 CD LYS A 21 4.222 8.804 -5.934 1.00 0.00 C ATOM 287 CE LYS A 21 4.462 7.946 -7.179 1.00 0.00 C ATOM 288 NZ LYS A 21 3.519 8.361 -8.256 1.00 0.00 N ATOM 0 H LYS A 21 5.469 12.069 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 21 3.447 13.324 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.145 10.898 -4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.878 11.239 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.011 10.336 -7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.630 10.403 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.732 8.368 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.159 8.828 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.492 8.059 -7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.318 6.892 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.009 8.341 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.711 7.707 -8.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.178 9.325 -8.067 1.00 0.00 H new ATOM 302 N ASN A 22 4.671 12.007 -3.303 1.00 0.00 N ATOM 303 CA ASN A 22 5.491 12.111 -2.064 1.00 0.00 C ATOM 304 C ASN A 22 4.905 11.312 -0.903 1.00 0.00 C ATOM 305 O ASN A 22 4.878 11.795 0.212 1.00 0.00 O ATOM 306 CB ASN A 22 5.529 13.579 -1.645 1.00 0.00 C ATOM 307 CG ASN A 22 6.933 14.144 -1.870 1.00 0.00 C ATOM 308 OD1 ASN A 22 7.851 13.837 -1.136 1.00 0.00 O ATOM 309 ND2 ASN A 22 7.136 14.965 -2.867 1.00 0.00 N ATOM 0 H ASN A 22 3.834 11.427 -3.244 1.00 0.00 H new ATOM 0 HA ASN A 22 6.480 11.711 -2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.800 14.150 -2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.252 13.675 -0.595 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.067 15.349 -3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.364 15.221 -3.482 1.00 0.00 H new ATOM 316 N ILE A 23 4.435 10.114 -1.094 1.00 0.00 N ATOM 317 CA ILE A 23 3.891 9.421 0.099 1.00 0.00 C ATOM 318 C ILE A 23 3.812 7.907 -0.075 1.00 0.00 C ATOM 319 O ILE A 23 4.062 7.350 -1.126 1.00 0.00 O ATOM 320 CB ILE A 23 2.500 9.999 0.406 1.00 0.00 C ATOM 321 CG1 ILE A 23 2.535 10.654 1.776 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.421 8.907 0.416 1.00 0.00 C ATOM 323 CD1 ILE A 23 1.158 11.230 2.068 1.00 0.00 C ATOM 0 H ILE A 23 4.403 9.606 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 23 4.574 9.593 0.931 1.00 0.00 H new ATOM 0 HB ILE A 23 2.253 10.720 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.810 9.925 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.288 11.441 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.452 9.355 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.384 8.424 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.660 8.166 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.163 11.705 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.904 11.969 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.419 10.429 2.057 1.00 0.00 H new ATOM 335 N CYS A 24 3.422 7.265 0.990 1.00 0.00 N ATOM 336 CA CYS A 24 3.251 5.795 1.004 1.00 0.00 C ATOM 337 C CYS A 24 1.754 5.527 0.964 1.00 0.00 C ATOM 338 O CYS A 24 0.974 6.347 1.394 1.00 0.00 O ATOM 339 CB CYS A 24 3.818 5.222 2.309 1.00 0.00 C ATOM 340 SG CYS A 24 5.143 6.284 2.952 1.00 0.00 S ATOM 0 H CYS A 24 3.209 7.719 1.878 1.00 0.00 H new ATOM 0 HA CYS A 24 3.767 5.336 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.023 5.135 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.203 4.217 2.134 1.00 0.00 H new ATOM 345 N VAL A 25 1.322 4.414 0.450 1.00 0.00 N ATOM 346 CA VAL A 25 -0.146 4.184 0.410 1.00 0.00 C ATOM 347 C VAL A 25 -0.471 2.692 0.398 1.00 0.00 C ATOM 348 O VAL A 25 0.326 1.867 -0.003 1.00 0.00 O ATOM 349 CB VAL A 25 -0.726 4.853 -0.839 1.00 0.00 C ATOM 350 CG1 VAL A 25 -0.005 6.177 -1.092 1.00 0.00 C ATOM 351 CG2 VAL A 25 -0.548 3.942 -2.058 1.00 0.00 C ATOM 0 H VAL A 25 1.903 3.670 0.065 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.591 4.617 1.306 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.789 5.035 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.419 6.652 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.140 6.835 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.058 5.989 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.964 4.429 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.513 3.750 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.066 2.998 -1.886 1.00 0.00 H new ATOM 361 N LYS A 26 -1.652 2.351 0.832 1.00 0.00 N ATOM 362 CA LYS A 26 -2.066 0.925 0.850 1.00 0.00 C ATOM 363 C LYS A 26 -3.599 0.865 0.864 1.00 0.00 C ATOM 364 O LYS A 26 -4.253 1.762 1.344 1.00 0.00 O ATOM 365 CB LYS A 26 -1.484 0.258 2.102 1.00 0.00 C ATOM 366 CG LYS A 26 -2.037 -1.160 2.267 1.00 0.00 C ATOM 367 CD LYS A 26 -2.330 -1.416 3.745 1.00 0.00 C ATOM 368 CE LYS A 26 -3.743 -0.931 4.077 1.00 0.00 C ATOM 369 NZ LYS A 26 -3.939 -0.946 5.554 1.00 0.00 N ATOM 0 H LYS A 26 -2.353 3.007 1.178 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.697 0.399 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.397 0.223 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.726 0.853 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.946 -1.280 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.318 -1.889 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.238 -2.479 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.600 -0.897 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.894 0.077 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.482 -1.571 3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.893 -0.600 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.829 -1.917 5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.232 -0.331 6.004 1.00 0.00 H new ATOM 383 N ARG A 27 -4.173 -0.184 0.348 1.00 0.00 N ATOM 384 CA ARG A 27 -5.660 -0.316 0.335 1.00 0.00 C ATOM 385 C ARG A 27 -5.946 -1.787 0.585 1.00 0.00 C ATOM 386 O ARG A 27 -5.312 -2.638 -0.006 1.00 0.00 O ATOM 387 CB ARG A 27 -6.212 0.106 -1.029 1.00 0.00 C ATOM 388 CG ARG A 27 -5.385 1.267 -1.586 1.00 0.00 C ATOM 389 CD ARG A 27 -4.259 0.719 -2.466 1.00 0.00 C ATOM 390 NE ARG A 27 -4.493 1.123 -3.881 1.00 0.00 N ATOM 391 CZ ARG A 27 -3.960 0.434 -4.853 1.00 0.00 C ATOM 392 NH1 ARG A 27 -2.666 0.282 -4.912 1.00 0.00 N ATOM 393 NH2 ARG A 27 -4.722 -0.104 -5.766 1.00 0.00 N ATOM 0 H ARG A 27 -3.671 -0.967 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.129 0.318 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.184 -0.737 -1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.256 0.404 -0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.022 1.935 -2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.968 1.855 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.297 1.099 -2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.219 -0.368 -2.389 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.070 1.938 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.070 0.702 -4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.250 -0.257 -5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.734 0.014 -5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.305 -0.642 -6.526 1.00 0.00 H new ATOM 407 N SER A 28 -6.852 -2.119 1.463 1.00 0.00 N ATOM 408 CA SER A 28 -7.070 -3.555 1.731 1.00 0.00 C ATOM 409 C SER A 28 -8.526 -3.928 1.611 1.00 0.00 C ATOM 410 O SER A 28 -9.410 -3.253 2.102 1.00 0.00 O ATOM 411 CB SER A 28 -6.574 -3.892 3.137 1.00 0.00 C ATOM 412 OG SER A 28 -7.563 -3.528 4.092 1.00 0.00 O ATOM 0 H SER A 28 -7.435 -1.471 1.992 1.00 0.00 H new ATOM 0 HA SER A 28 -6.513 -4.124 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.357 -4.958 3.211 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.644 -3.362 3.342 1.00 0.00 H new ATOM 0 HG SER A 28 -7.244 -3.746 4.993 1.00 0.00 H new ATOM 418 N TRP A 29 -8.771 -5.026 0.974 1.00 0.00 N ATOM 419 CA TRP A 29 -10.159 -5.492 0.832 1.00 0.00 C ATOM 420 C TRP A 29 -10.181 -6.990 0.723 1.00 0.00 C ATOM 421 O TRP A 29 -9.364 -7.597 0.075 1.00 0.00 O ATOM 422 CB TRP A 29 -10.788 -4.919 -0.396 1.00 0.00 C ATOM 423 CG TRP A 29 -10.018 -5.331 -1.606 1.00 0.00 C ATOM 424 CD1 TRP A 29 -10.349 -6.349 -2.431 1.00 0.00 C ATOM 425 CD2 TRP A 29 -8.795 -4.755 -2.133 1.00 0.00 C ATOM 426 NE1 TRP A 29 -9.409 -6.424 -3.444 1.00 0.00 N ATOM 427 CE2 TRP A 29 -8.430 -5.460 -3.302 1.00 0.00 C ATOM 428 CE3 TRP A 29 -7.979 -3.694 -1.714 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -7.291 -5.122 -4.033 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -6.833 -3.349 -2.442 1.00 0.00 C ATOM 431 CH2 TRP A 29 -6.489 -4.061 -3.602 1.00 0.00 C ATOM 0 H TRP A 29 -8.064 -5.622 0.544 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.717 -5.166 1.709 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -11.820 -5.260 -0.478 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -10.816 -3.832 -0.326 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.206 -6.997 -2.318 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.436 -7.107 -4.202 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -8.236 -3.139 -0.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.031 -5.675 -4.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.211 -2.531 -2.109 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.606 -3.789 -4.161 1.00 0.00 H new ATOM 442 N THR A 30 -11.132 -7.587 1.322 1.00 0.00 N ATOM 443 CA THR A 30 -11.224 -9.058 1.240 1.00 0.00 C ATOM 444 C THR A 30 -11.841 -9.420 -0.105 1.00 0.00 C ATOM 445 O THR A 30 -12.628 -8.676 -0.657 1.00 0.00 O ATOM 446 CB THR A 30 -12.093 -9.580 2.371 1.00 0.00 C ATOM 447 OG1 THR A 30 -11.976 -10.994 2.451 1.00 0.00 O ATOM 448 CG2 THR A 30 -13.529 -9.195 2.083 1.00 0.00 C ATOM 0 H THR A 30 -11.860 -7.130 1.871 1.00 0.00 H new ATOM 0 HA THR A 30 -10.235 -9.507 1.329 1.00 0.00 H new ATOM 0 HB THR A 30 -11.775 -9.151 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.536 -11.328 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.171 -9.561 2.884 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.609 -8.110 2.020 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.841 -9.637 1.137 1.00 0.00 H new ATOM 456 N ALA A 31 -11.486 -10.540 -0.645 1.00 0.00 N ATOM 457 CA ALA A 31 -12.050 -10.924 -1.963 1.00 0.00 C ATOM 458 C ALA A 31 -11.451 -12.261 -2.406 1.00 0.00 C ATOM 459 O ALA A 31 -10.276 -12.357 -2.699 1.00 0.00 O ATOM 460 CB ALA A 31 -11.705 -9.830 -2.976 1.00 0.00 C ATOM 0 H ALA A 31 -10.832 -11.207 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.132 -11.033 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.112 -10.096 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.135 -8.883 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.622 -9.731 -3.050 1.00 0.00 H new ATOM 466 N VAL A 32 -12.247 -13.294 -2.454 1.00 0.00 N ATOM 467 CA VAL A 32 -11.716 -14.622 -2.873 1.00 0.00 C ATOM 468 C VAL A 32 -11.769 -14.739 -4.398 1.00 0.00 C ATOM 469 O VAL A 32 -12.817 -14.935 -4.980 1.00 0.00 O ATOM 470 CB VAL A 32 -12.562 -15.732 -2.249 1.00 0.00 C ATOM 471 CG1 VAL A 32 -14.028 -15.539 -2.642 1.00 0.00 C ATOM 472 CG2 VAL A 32 -12.073 -17.090 -2.758 1.00 0.00 C ATOM 0 H VAL A 32 -13.240 -13.276 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.684 -14.719 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.469 -15.694 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -14.631 -16.330 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.377 -14.571 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.122 -15.578 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.675 -17.883 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.167 -17.127 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.028 -17.228 -2.479 1.00 0.00 H new ATOM 482 N ARG A 33 -10.644 -14.623 -5.047 1.00 0.00 N ATOM 483 CA ARG A 33 -10.626 -14.730 -6.532 1.00 0.00 C ATOM 484 C ARG A 33 -10.053 -16.090 -6.936 1.00 0.00 C ATOM 485 O ARG A 33 -10.748 -16.938 -7.458 1.00 0.00 O ATOM 486 CB ARG A 33 -9.753 -13.615 -7.110 1.00 0.00 C ATOM 487 CG ARG A 33 -10.303 -12.258 -6.670 1.00 0.00 C ATOM 488 CD ARG A 33 -9.352 -11.149 -7.125 1.00 0.00 C ATOM 489 NE ARG A 33 -9.811 -9.843 -6.575 1.00 0.00 N ATOM 490 CZ ARG A 33 -10.293 -8.932 -7.376 1.00 0.00 C ATOM 491 NH1 ARG A 33 -10.864 -9.285 -8.495 1.00 0.00 N ATOM 492 NH2 ARG A 33 -10.203 -7.669 -7.057 1.00 0.00 N ATOM 0 H ARG A 33 -9.736 -14.459 -4.613 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.641 -14.634 -6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.724 -13.730 -6.769 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.737 -13.678 -8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.294 -12.100 -7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.415 -12.233 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.339 -11.363 -6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.321 -11.106 -8.214 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.749 -9.661 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.933 -10.272 -8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.241 -8.574 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.756 -7.395 -6.182 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.580 -6.957 -7.683 1.00 0.00 H new ATOM 506 N GLY A 34 -8.788 -16.305 -6.696 1.00 0.00 N ATOM 507 CA GLY A 34 -8.168 -17.609 -7.063 1.00 0.00 C ATOM 508 C GLY A 34 -7.610 -18.278 -5.805 1.00 0.00 C ATOM 509 O GLY A 34 -8.287 -19.039 -5.143 1.00 0.00 O ATOM 0 H GLY A 34 -8.157 -15.632 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.908 -18.256 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.371 -17.453 -7.790 1.00 0.00 H new ATOM 513 N ASP A 35 -6.382 -17.997 -5.470 1.00 0.00 N ATOM 514 CA ASP A 35 -5.781 -18.613 -4.254 1.00 0.00 C ATOM 515 C ASP A 35 -4.967 -17.557 -3.504 1.00 0.00 C ATOM 516 O ASP A 35 -4.173 -17.869 -2.639 1.00 0.00 O ATOM 517 CB ASP A 35 -4.865 -19.767 -4.666 1.00 0.00 C ATOM 518 CG ASP A 35 -5.052 -20.940 -3.702 1.00 0.00 C ATOM 519 OD1 ASP A 35 -6.119 -21.037 -3.117 1.00 0.00 O ATOM 520 OD2 ASP A 35 -4.125 -21.722 -3.565 1.00 0.00 O ATOM 0 H ASP A 35 -5.768 -17.367 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.572 -18.993 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.094 -20.080 -5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.825 -19.440 -4.659 1.00 0.00 H new ATOM 525 N GLY A 36 -5.159 -16.308 -3.831 1.00 0.00 N ATOM 526 CA GLY A 36 -4.398 -15.230 -3.142 1.00 0.00 C ATOM 527 C GLY A 36 -4.764 -15.212 -1.655 1.00 0.00 C ATOM 528 O GLY A 36 -5.397 -16.124 -1.163 1.00 0.00 O ATOM 0 H GLY A 36 -5.811 -15.988 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.327 -15.394 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.625 -14.265 -3.594 1.00 0.00 H new ATOM 532 N PRO A 37 -4.351 -14.166 -0.985 1.00 0.00 N ATOM 533 CA PRO A 37 -4.617 -13.986 0.453 1.00 0.00 C ATOM 534 C PRO A 37 -6.056 -13.512 0.677 1.00 0.00 C ATOM 535 O PRO A 37 -6.903 -13.637 -0.186 1.00 0.00 O ATOM 536 CB PRO A 37 -3.616 -12.905 0.870 1.00 0.00 C ATOM 537 CG PRO A 37 -3.244 -12.135 -0.420 1.00 0.00 C ATOM 538 CD PRO A 37 -3.581 -13.065 -1.600 1.00 0.00 C ATOM 0 HA PRO A 37 -4.509 -14.906 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.054 -12.235 1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.731 -13.350 1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.804 -11.202 -0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.186 -11.873 -0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.165 -12.547 -2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.678 -13.434 -2.087 1.00 0.00 H new ATOM 546 N LYS A 38 -6.338 -12.969 1.830 1.00 0.00 N ATOM 547 CA LYS A 38 -7.720 -12.487 2.113 1.00 0.00 C ATOM 548 C LYS A 38 -7.797 -10.983 1.850 1.00 0.00 C ATOM 549 O LYS A 38 -8.266 -10.545 0.818 1.00 0.00 O ATOM 550 CB LYS A 38 -8.065 -12.764 3.577 1.00 0.00 C ATOM 551 CG LYS A 38 -9.297 -13.667 3.651 1.00 0.00 C ATOM 552 CD LYS A 38 -8.865 -15.097 3.978 1.00 0.00 C ATOM 553 CE LYS A 38 -9.725 -16.085 3.188 1.00 0.00 C ATOM 554 NZ LYS A 38 -9.699 -17.416 3.860 1.00 0.00 N ATOM 0 H LYS A 38 -5.670 -12.838 2.589 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.427 -13.007 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.221 -13.241 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.256 -11.827 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.984 -13.300 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.833 -13.646 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.813 -15.236 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.968 -15.283 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.750 -15.719 3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.352 -16.174 2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.284 -18.088 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.720 -17.765 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.075 -17.325 4.825 1.00 0.00 H new ATOM 568 N ARG A 39 -7.342 -10.188 2.778 1.00 0.00 N ATOM 569 CA ARG A 39 -7.389 -8.715 2.588 1.00 0.00 C ATOM 570 C ARG A 39 -6.236 -8.278 1.685 1.00 0.00 C ATOM 571 O ARG A 39 -5.085 -8.287 2.073 1.00 0.00 O ATOM 572 CB ARG A 39 -7.265 -8.020 3.941 1.00 0.00 C ATOM 573 CG ARG A 39 -8.639 -7.513 4.371 1.00 0.00 C ATOM 574 CD ARG A 39 -8.915 -7.950 5.811 1.00 0.00 C ATOM 575 NE ARG A 39 -9.484 -6.806 6.578 1.00 0.00 N ATOM 576 CZ ARG A 39 -10.694 -6.391 6.325 1.00 0.00 C ATOM 577 NH1 ARG A 39 -11.673 -7.249 6.233 1.00 0.00 N ATOM 578 NH2 ARG A 39 -10.926 -5.117 6.163 1.00 0.00 N ATOM 0 H ARG A 39 -6.939 -10.498 3.662 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.337 -8.442 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.870 -8.713 4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.562 -7.190 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.678 -6.426 4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.408 -7.906 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.610 -8.789 5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.994 -8.294 6.281 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.928 -6.348 7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.492 -8.245 6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.619 -6.924 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.161 -4.446 6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.872 -4.792 5.965 1.00 0.00 H new ATOM 592 N GLU A 40 -6.546 -7.892 0.483 1.00 0.00 N ATOM 593 CA GLU A 40 -5.483 -7.444 -0.466 1.00 0.00 C ATOM 594 C GLU A 40 -5.058 -6.017 -0.110 1.00 0.00 C ATOM 595 O GLU A 40 -5.700 -5.063 -0.496 1.00 0.00 O ATOM 596 CB GLU A 40 -6.035 -7.469 -1.895 1.00 0.00 C ATOM 597 CG GLU A 40 -6.870 -8.735 -2.106 1.00 0.00 C ATOM 598 CD GLU A 40 -5.996 -9.970 -1.872 1.00 0.00 C ATOM 599 OE1 GLU A 40 -5.051 -10.152 -2.621 1.00 0.00 O ATOM 600 OE2 GLU A 40 -6.288 -10.711 -0.948 1.00 0.00 O ATOM 0 H GLU A 40 -7.495 -7.866 0.110 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.623 -8.111 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.647 -6.585 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.215 -7.440 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.718 -8.742 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.276 -8.751 -3.117 1.00 0.00 H new ATOM 607 N ILE A 41 -3.987 -5.870 0.633 1.00 0.00 N ATOM 608 CA ILE A 41 -3.519 -4.504 1.040 1.00 0.00 C ATOM 609 C ILE A 41 -2.628 -3.883 -0.050 1.00 0.00 C ATOM 610 O ILE A 41 -1.540 -3.423 0.229 1.00 0.00 O ATOM 611 CB ILE A 41 -2.715 -4.603 2.346 1.00 0.00 C ATOM 612 CG1 ILE A 41 -1.821 -5.846 2.326 1.00 0.00 C ATOM 613 CG2 ILE A 41 -3.673 -4.700 3.532 1.00 0.00 C ATOM 614 CD1 ILE A 41 -1.054 -5.904 1.008 1.00 0.00 C ATOM 0 H ILE A 41 -3.414 -6.640 0.977 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.395 -3.871 1.184 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.093 -3.713 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.124 -5.818 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.427 -6.744 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.101 -4.770 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.305 -3.813 3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.298 -5.587 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.418 -6.789 0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.759 -5.952 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.436 -5.012 0.907 1.00 0.00 H new ATOM 626 N ARG A 42 -3.068 -3.872 -1.280 1.00 0.00 N ATOM 627 CA ARG A 42 -2.225 -3.289 -2.378 1.00 0.00 C ATOM 628 C ARG A 42 -1.520 -2.020 -1.881 1.00 0.00 C ATOM 629 O ARG A 42 -1.912 -1.436 -0.899 1.00 0.00 O ATOM 630 CB ARG A 42 -3.119 -2.949 -3.574 1.00 0.00 C ATOM 631 CG ARG A 42 -2.263 -2.767 -4.831 1.00 0.00 C ATOM 632 CD ARG A 42 -1.666 -4.113 -5.250 1.00 0.00 C ATOM 633 NE ARG A 42 -2.759 -5.032 -5.678 1.00 0.00 N ATOM 634 CZ ARG A 42 -2.469 -6.185 -6.217 1.00 0.00 C ATOM 635 NH1 ARG A 42 -1.855 -7.098 -5.515 1.00 0.00 N ATOM 636 NH2 ARG A 42 -2.792 -6.425 -7.459 1.00 0.00 N ATOM 0 H ARG A 42 -3.972 -4.239 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.471 -4.016 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.848 -3.744 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.681 -2.037 -3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.870 -2.360 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.466 -2.049 -4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.957 -3.970 -6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.113 -4.551 -4.420 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.734 -4.760 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.602 -6.911 -4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.629 -7.999 -5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.271 -5.711 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.565 -7.326 -7.880 1.00 0.00 H new ATOM 650 N ARG A 43 -0.474 -1.589 -2.537 1.00 0.00 N ATOM 651 CA ARG A 43 0.231 -0.362 -2.061 1.00 0.00 C ATOM 652 C ARG A 43 0.670 0.497 -3.251 1.00 0.00 C ATOM 653 O ARG A 43 0.435 0.162 -4.395 1.00 0.00 O ATOM 654 CB ARG A 43 1.459 -0.763 -1.242 1.00 0.00 C ATOM 655 CG ARG A 43 1.096 -0.770 0.245 1.00 0.00 C ATOM 656 CD ARG A 43 1.549 -2.088 0.875 1.00 0.00 C ATOM 657 NE ARG A 43 0.932 -2.233 2.223 1.00 0.00 N ATOM 658 CZ ARG A 43 1.101 -3.333 2.903 1.00 0.00 C ATOM 659 NH1 ARG A 43 1.321 -4.458 2.279 1.00 0.00 N ATOM 660 NH2 ARG A 43 1.051 -3.309 4.206 1.00 0.00 N ATOM 0 H ARG A 43 -0.082 -2.027 -3.371 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.453 0.218 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.808 -1.750 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.276 -0.065 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.573 0.070 0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.020 -0.647 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.260 -2.925 0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.636 -2.110 0.957 1.00 0.00 H new ATOM 0 HE ARG A 43 0.377 -1.472 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.361 -4.477 1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.453 -5.319 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.880 -2.430 4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.183 -4.170 4.737 1.00 0.00 H new ATOM 674 N GLU A 44 1.306 1.608 -2.982 1.00 0.00 N ATOM 675 CA GLU A 44 1.764 2.501 -4.086 1.00 0.00 C ATOM 676 C GLU A 44 2.205 3.848 -3.501 1.00 0.00 C ATOM 677 O GLU A 44 2.010 4.122 -2.334 1.00 0.00 O ATOM 678 CB GLU A 44 0.613 2.723 -5.069 1.00 0.00 C ATOM 679 CG GLU A 44 1.028 2.234 -6.458 1.00 0.00 C ATOM 680 CD GLU A 44 1.181 3.433 -7.397 1.00 0.00 C ATOM 681 OE1 GLU A 44 0.169 4.018 -7.747 1.00 0.00 O ATOM 682 OE2 GLU A 44 2.306 3.745 -7.748 1.00 0.00 O ATOM 0 H GLU A 44 1.528 1.935 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 44 2.603 2.039 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.275 2.187 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.352 3.781 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.968 1.685 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.281 1.544 -6.851 1.00 0.00 H new ATOM 689 N CYS A 45 2.798 4.691 -4.301 1.00 0.00 N ATOM 690 CA CYS A 45 3.248 6.016 -3.785 1.00 0.00 C ATOM 691 C CYS A 45 2.379 7.123 -4.388 1.00 0.00 C ATOM 692 O CYS A 45 2.025 7.080 -5.549 1.00 0.00 O ATOM 693 CB CYS A 45 4.707 6.249 -4.178 1.00 0.00 C ATOM 694 SG CYS A 45 5.694 4.803 -3.738 1.00 0.00 S ATOM 0 H CYS A 45 2.990 4.521 -5.288 1.00 0.00 H new ATOM 0 HA CYS A 45 3.155 6.030 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.779 6.439 -5.249 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.094 7.133 -3.671 1.00 0.00 H new ATOM 699 N ALA A 46 2.030 8.114 -3.611 1.00 0.00 N ATOM 700 CA ALA A 46 1.182 9.217 -4.151 1.00 0.00 C ATOM 701 C ALA A 46 1.280 10.443 -3.245 1.00 0.00 C ATOM 702 O ALA A 46 2.143 10.536 -2.398 1.00 0.00 O ATOM 703 CB ALA A 46 -0.269 8.752 -4.191 1.00 0.00 C ATOM 0 H ALA A 46 2.294 8.208 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 46 1.526 9.477 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.897 9.552 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.353 7.876 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.597 8.496 -3.184 1.00 0.00 H new ATOM 709 N ALA A 47 0.375 11.375 -3.403 1.00 0.00 N ATOM 710 CA ALA A 47 0.386 12.583 -2.533 1.00 0.00 C ATOM 711 C ALA A 47 -0.171 12.175 -1.171 1.00 0.00 C ATOM 712 O ALA A 47 0.498 12.260 -0.163 1.00 0.00 O ATOM 713 CB ALA A 47 -0.496 13.671 -3.150 1.00 0.00 C ATOM 0 H ALA A 47 -0.371 11.349 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 47 1.398 12.975 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.486 14.554 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.114 13.933 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.517 13.302 -3.243 1.00 0.00 H new ATOM 719 N THR A 48 -1.384 11.689 -1.149 1.00 0.00 N ATOM 720 CA THR A 48 -1.986 11.217 0.131 1.00 0.00 C ATOM 721 C THR A 48 -2.120 9.713 0.040 1.00 0.00 C ATOM 722 O THR A 48 -1.733 8.980 0.917 1.00 0.00 O ATOM 723 CB THR A 48 -3.398 11.790 0.321 1.00 0.00 C ATOM 724 OG1 THR A 48 -3.801 12.459 -0.866 1.00 0.00 O ATOM 725 CG2 THR A 48 -3.399 12.774 1.492 1.00 0.00 C ATOM 0 H THR A 48 -1.986 11.599 -1.967 1.00 0.00 H new ATOM 0 HA THR A 48 -1.355 11.535 0.961 1.00 0.00 H new ATOM 0 HB THR A 48 -4.094 10.978 0.533 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.703 12.823 -0.746 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.402 13.180 1.625 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.093 12.257 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.703 13.587 1.285 1.00 0.00 H new ATOM 733 N CYS A 49 -2.701 9.270 -1.029 1.00 0.00 N ATOM 734 CA CYS A 49 -2.932 7.822 -1.226 1.00 0.00 C ATOM 735 C CYS A 49 -3.596 7.638 -2.600 1.00 0.00 C ATOM 736 O CYS A 49 -3.808 8.612 -3.295 1.00 0.00 O ATOM 737 CB CYS A 49 -3.864 7.366 -0.101 1.00 0.00 C ATOM 738 SG CYS A 49 -2.946 6.354 1.088 1.00 0.00 S ATOM 0 H CYS A 49 -3.032 9.862 -1.790 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.012 7.238 -1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.293 8.233 0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.694 6.793 -0.514 1.00 0.00 H new ATOM 743 N PRO A 50 -3.931 6.421 -2.965 1.00 0.00 N ATOM 744 CA PRO A 50 -4.594 6.166 -4.258 1.00 0.00 C ATOM 745 C PRO A 50 -5.955 6.863 -4.289 1.00 0.00 C ATOM 746 O PRO A 50 -6.327 7.517 -3.335 1.00 0.00 O ATOM 747 CB PRO A 50 -4.695 4.633 -4.317 1.00 0.00 C ATOM 748 CG PRO A 50 -4.553 4.137 -2.866 1.00 0.00 C ATOM 749 CD PRO A 50 -3.712 5.203 -2.149 1.00 0.00 C ATOM 0 HA PRO A 50 -4.058 6.556 -5.123 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.649 4.322 -4.743 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.912 4.215 -4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.528 4.023 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.065 3.163 -2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.038 5.346 -1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.658 4.927 -2.114 1.00 0.00 H new ATOM 757 N PRO A 51 -6.656 6.726 -5.386 1.00 0.00 N ATOM 758 CA PRO A 51 -7.976 7.363 -5.564 1.00 0.00 C ATOM 759 C PRO A 51 -9.070 6.661 -4.755 1.00 0.00 C ATOM 760 O PRO A 51 -10.246 6.825 -5.013 1.00 0.00 O ATOM 761 CB PRO A 51 -8.237 7.240 -7.060 1.00 0.00 C ATOM 762 CG PRO A 51 -7.345 6.087 -7.572 1.00 0.00 C ATOM 763 CD PRO A 51 -6.207 5.927 -6.549 1.00 0.00 C ATOM 0 HA PRO A 51 -7.985 8.394 -5.210 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.289 7.031 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.998 8.172 -7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.918 5.164 -7.662 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.948 6.314 -8.561 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.056 4.881 -6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.260 6.295 -6.944 1.00 0.00 H new ATOM 771 N SER A 52 -8.698 5.894 -3.775 1.00 0.00 N ATOM 772 CA SER A 52 -9.713 5.198 -2.944 1.00 0.00 C ATOM 773 C SER A 52 -10.631 6.230 -2.293 1.00 0.00 C ATOM 774 O SER A 52 -10.234 7.341 -2.008 1.00 0.00 O ATOM 775 CB SER A 52 -9.017 4.395 -1.849 1.00 0.00 C ATOM 776 OG SER A 52 -7.874 3.748 -2.393 1.00 0.00 O ATOM 0 H SER A 52 -7.729 5.718 -3.512 1.00 0.00 H new ATOM 0 HA SER A 52 -10.296 4.529 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.722 5.053 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.702 3.657 -1.432 1.00 0.00 H new ATOM 0 HG SER A 52 -8.033 2.782 -2.432 1.00 0.00 H new ATOM 782 N LYS A 53 -11.850 5.857 -2.032 1.00 0.00 N ATOM 783 CA LYS A 53 -12.794 6.802 -1.369 1.00 0.00 C ATOM 784 C LYS A 53 -12.898 6.400 0.099 1.00 0.00 C ATOM 785 O LYS A 53 -13.837 6.735 0.793 1.00 0.00 O ATOM 786 CB LYS A 53 -14.171 6.710 -2.030 1.00 0.00 C ATOM 787 CG LYS A 53 -14.932 8.017 -1.804 1.00 0.00 C ATOM 788 CD LYS A 53 -15.047 8.775 -3.128 1.00 0.00 C ATOM 789 CE LYS A 53 -13.919 9.804 -3.229 1.00 0.00 C ATOM 790 NZ LYS A 53 -14.465 11.167 -2.975 1.00 0.00 N ATOM 0 H LYS A 53 -12.236 4.938 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.435 7.827 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.062 6.520 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.731 5.873 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.925 7.808 -1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.414 8.629 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.993 8.078 -3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.014 9.273 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.137 9.574 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.462 9.762 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.698 11.866 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.197 11.385 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.881 11.202 -2.023 1.00 0.00 H new ATOM 804 N LEU A 54 -11.929 5.659 0.554 1.00 0.00 N ATOM 805 CA LEU A 54 -11.912 5.176 1.955 1.00 0.00 C ATOM 806 C LEU A 54 -12.791 3.932 2.067 1.00 0.00 C ATOM 807 O LEU A 54 -12.717 3.202 3.035 1.00 0.00 O ATOM 808 CB LEU A 54 -12.396 6.255 2.926 1.00 0.00 C ATOM 809 CG LEU A 54 -11.347 6.475 4.036 1.00 0.00 C ATOM 810 CD1 LEU A 54 -10.656 5.150 4.410 1.00 0.00 C ATOM 811 CD2 LEU A 54 -10.293 7.471 3.545 1.00 0.00 C ATOM 0 H LEU A 54 -11.129 5.362 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.885 4.930 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.570 7.187 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.348 5.959 3.367 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.853 6.865 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.921 5.332 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.401 4.440 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.156 4.740 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.550 7.629 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.805 7.075 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.773 8.419 3.304 1.00 0.00 H new ATOM 823 N GLY A 55 -13.587 3.644 1.067 1.00 0.00 N ATOM 824 CA GLY A 55 -14.401 2.403 1.138 1.00 0.00 C ATOM 825 C GLY A 55 -13.389 1.282 1.313 1.00 0.00 C ATOM 826 O GLY A 55 -13.633 0.280 1.957 1.00 0.00 O ATOM 0 H GLY A 55 -13.704 4.205 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.101 2.437 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.991 2.265 0.232 1.00 0.00 H new ATOM 830 N LEU A 56 -12.218 1.502 0.781 1.00 0.00 N ATOM 831 CA LEU A 56 -11.110 0.536 0.931 1.00 0.00 C ATOM 832 C LEU A 56 -10.266 1.038 2.097 1.00 0.00 C ATOM 833 O LEU A 56 -10.233 2.222 2.368 1.00 0.00 O ATOM 834 CB LEU A 56 -10.271 0.530 -0.347 1.00 0.00 C ATOM 835 CG LEU A 56 -9.793 -0.883 -0.641 1.00 0.00 C ATOM 836 CD1 LEU A 56 -11.006 -1.764 -0.889 1.00 0.00 C ATOM 837 CD2 LEU A 56 -8.907 -0.876 -1.889 1.00 0.00 C ATOM 0 H LEU A 56 -11.985 2.333 0.237 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.474 -0.476 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.862 0.905 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.416 1.197 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.219 -1.264 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.679 -2.782 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.642 -1.765 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.568 -1.378 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.565 -1.890 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.479 -0.503 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.045 -0.230 -1.720 1.00 0.00 H new ATOM 849 N THR A 57 -9.591 0.186 2.802 1.00 0.00 N ATOM 850 CA THR A 57 -8.784 0.697 3.941 1.00 0.00 C ATOM 851 C THR A 57 -7.528 1.379 3.410 1.00 0.00 C ATOM 852 O THR A 57 -6.546 0.725 3.115 1.00 0.00 O ATOM 853 CB THR A 57 -8.379 -0.455 4.858 1.00 0.00 C ATOM 854 OG1 THR A 57 -9.544 -1.112 5.339 1.00 0.00 O ATOM 855 CG2 THR A 57 -7.579 0.102 6.035 1.00 0.00 C ATOM 0 H THR A 57 -9.559 -0.822 2.648 1.00 0.00 H new ATOM 0 HA THR A 57 -9.383 1.411 4.505 1.00 0.00 H new ATOM 0 HB THR A 57 -7.768 -1.169 4.305 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.283 -1.852 5.926 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.286 -0.715 6.695 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.687 0.606 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.193 0.813 6.588 1.00 0.00 H new ATOM 863 N VAL A 58 -7.532 2.687 3.293 1.00 0.00 N ATOM 864 CA VAL A 58 -6.308 3.364 2.795 1.00 0.00 C ATOM 865 C VAL A 58 -5.324 3.509 3.944 1.00 0.00 C ATOM 866 O VAL A 58 -5.698 3.765 5.071 1.00 0.00 O ATOM 867 CB VAL A 58 -6.565 4.785 2.267 1.00 0.00 C ATOM 868 CG1 VAL A 58 -5.638 5.052 1.086 1.00 0.00 C ATOM 869 CG2 VAL A 58 -8.004 4.988 1.798 1.00 0.00 C ATOM 0 H VAL A 58 -8.317 3.298 3.518 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.932 2.748 1.978 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.378 5.473 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.814 6.058 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.601 4.963 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.835 4.326 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.128 6.009 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.227 4.288 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.686 4.813 2.630 1.00 0.00 H new ATOM 879 N PHE A 59 -4.069 3.401 3.657 1.00 0.00 N ATOM 880 CA PHE A 59 -3.050 3.590 4.710 1.00 0.00 C ATOM 881 C PHE A 59 -1.874 4.314 4.073 1.00 0.00 C ATOM 882 O PHE A 59 -1.132 3.752 3.291 1.00 0.00 O ATOM 883 CB PHE A 59 -2.594 2.249 5.276 1.00 0.00 C ATOM 884 CG PHE A 59 -1.338 2.470 6.079 1.00 0.00 C ATOM 885 CD1 PHE A 59 -1.165 3.668 6.783 1.00 0.00 C ATOM 886 CD2 PHE A 59 -0.345 1.490 6.106 1.00 0.00 C ATOM 887 CE1 PHE A 59 0.007 3.884 7.518 1.00 0.00 C ATOM 888 CE2 PHE A 59 0.828 1.702 6.843 1.00 0.00 C ATOM 889 CZ PHE A 59 1.004 2.900 7.549 1.00 0.00 C ATOM 0 H PHE A 59 -3.701 3.188 2.730 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.466 4.167 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.374 1.818 5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.407 1.541 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.935 4.425 6.759 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.480 0.569 5.559 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.142 4.808 8.060 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.596 0.943 6.867 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.908 3.065 8.117 1.00 0.00 H new ATOM 899 N CYS A 60 -1.719 5.566 4.372 1.00 0.00 N ATOM 900 CA CYS A 60 -0.613 6.339 3.758 1.00 0.00 C ATOM 901 C CYS A 60 0.447 6.634 4.819 1.00 0.00 C ATOM 902 O CYS A 60 0.293 6.290 5.974 1.00 0.00 O ATOM 903 CB CYS A 60 -1.161 7.651 3.181 1.00 0.00 C ATOM 904 SG CYS A 60 -2.926 7.466 2.779 1.00 0.00 S ATOM 0 H CYS A 60 -2.311 6.090 5.016 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.162 5.760 2.952 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.026 8.458 3.901 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.603 7.925 2.286 1.00 0.00 H new ATOM 909 N CYS A 61 1.525 7.262 4.441 1.00 0.00 N ATOM 910 CA CYS A 61 2.592 7.566 5.440 1.00 0.00 C ATOM 911 C CYS A 61 3.448 8.734 4.944 1.00 0.00 C ATOM 912 O CYS A 61 3.932 8.734 3.830 1.00 0.00 O ATOM 913 CB CYS A 61 3.477 6.330 5.634 1.00 0.00 C ATOM 914 SG CYS A 61 2.987 5.463 7.144 1.00 0.00 S ATOM 0 H CYS A 61 1.715 7.577 3.490 1.00 0.00 H new ATOM 0 HA CYS A 61 2.130 7.837 6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.384 5.666 4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.524 6.626 5.696 1.00 0.00 H new ATOM 919 N THR A 62 3.639 9.732 5.765 1.00 0.00 N ATOM 920 CA THR A 62 4.462 10.901 5.344 1.00 0.00 C ATOM 921 C THR A 62 5.904 10.713 5.823 1.00 0.00 C ATOM 922 O THR A 62 6.400 11.461 6.642 1.00 0.00 O ATOM 923 CB THR A 62 3.885 12.177 5.960 1.00 0.00 C ATOM 924 OG1 THR A 62 3.538 11.931 7.315 1.00 0.00 O ATOM 925 CG2 THR A 62 2.639 12.601 5.180 1.00 0.00 C ATOM 0 H THR A 62 3.260 9.787 6.710 1.00 0.00 H new ATOM 0 HA THR A 62 4.448 10.981 4.257 1.00 0.00 H new ATOM 0 HB THR A 62 4.628 12.973 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.329 11.622 7.804 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.227 13.510 5.618 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.907 12.789 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.894 11.807 5.225 1.00 0.00 H new ATOM 933 N THR A 63 6.580 9.720 5.315 1.00 0.00 N ATOM 934 CA THR A 63 7.990 9.483 5.737 1.00 0.00 C ATOM 935 C THR A 63 8.616 8.431 4.821 1.00 0.00 C ATOM 936 O THR A 63 7.964 7.883 3.955 1.00 0.00 O ATOM 937 CB THR A 63 8.014 8.983 7.183 1.00 0.00 C ATOM 938 OG1 THR A 63 9.320 8.523 7.503 1.00 0.00 O ATOM 939 CG2 THR A 63 7.015 7.838 7.346 1.00 0.00 C ATOM 0 H THR A 63 6.217 9.062 4.625 1.00 0.00 H new ATOM 0 HA THR A 63 8.555 10.412 5.669 1.00 0.00 H new ATOM 0 HB THR A 63 7.741 9.798 7.853 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.337 8.204 8.430 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.033 7.483 8.376 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.013 8.192 7.102 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.285 7.022 6.676 1.00 0.00 H new ATOM 947 N ASP A 64 9.876 8.144 5.000 1.00 0.00 N ATOM 948 CA ASP A 64 10.530 7.127 4.131 1.00 0.00 C ATOM 949 C ASP A 64 9.751 5.813 4.219 1.00 0.00 C ATOM 950 O ASP A 64 8.785 5.721 4.949 1.00 0.00 O ATOM 951 CB ASP A 64 11.972 6.905 4.594 1.00 0.00 C ATOM 952 CG ASP A 64 11.973 6.143 5.921 1.00 0.00 C ATOM 953 OD1 ASP A 64 11.669 4.962 5.903 1.00 0.00 O ATOM 954 OD2 ASP A 64 12.278 6.754 6.932 1.00 0.00 O ATOM 0 H ASP A 64 10.478 8.567 5.706 1.00 0.00 H new ATOM 0 HA ASP A 64 10.537 7.478 3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.524 6.344 3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.478 7.863 4.713 1.00 0.00 H new ATOM 959 N ASN A 65 10.160 4.810 3.467 1.00 0.00 N ATOM 960 CA ASN A 65 9.450 3.482 3.478 1.00 0.00 C ATOM 961 C ASN A 65 8.655 3.292 4.777 1.00 0.00 C ATOM 962 O ASN A 65 9.214 3.071 5.833 1.00 0.00 O ATOM 963 CB ASN A 65 10.460 2.328 3.342 1.00 0.00 C ATOM 964 CG ASN A 65 11.891 2.867 3.246 1.00 0.00 C ATOM 965 OD1 ASN A 65 12.370 3.160 2.168 1.00 0.00 O ATOM 966 ND2 ASN A 65 12.596 3.013 4.334 1.00 0.00 N ATOM 0 H ASN A 65 10.963 4.856 2.840 1.00 0.00 H new ATOM 0 HA ASN A 65 8.763 3.472 2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.375 1.661 4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.228 1.738 2.455 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.549 3.373 4.280 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.194 2.767 5.239 1.00 0.00 H new ATOM 973 N CYS A 66 7.351 3.380 4.703 1.00 0.00 N ATOM 974 CA CYS A 66 6.517 3.211 5.929 1.00 0.00 C ATOM 975 C CYS A 66 5.574 2.016 5.755 1.00 0.00 C ATOM 976 O CYS A 66 5.813 0.944 6.275 1.00 0.00 O ATOM 977 CB CYS A 66 5.688 4.479 6.161 1.00 0.00 C ATOM 978 SG CYS A 66 4.520 4.198 7.518 1.00 0.00 S ATOM 0 H CYS A 66 6.829 3.562 3.846 1.00 0.00 H new ATOM 0 HA CYS A 66 7.169 3.036 6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.344 5.316 6.399 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.149 4.745 5.252 1.00 0.00 H new ATOM 983 N ASN A 67 4.501 2.196 5.035 1.00 0.00 N ATOM 984 CA ASN A 67 3.536 1.076 4.835 1.00 0.00 C ATOM 985 C ASN A 67 4.241 -0.104 4.162 1.00 0.00 C ATOM 986 O ASN A 67 4.424 -0.126 2.961 1.00 0.00 O ATOM 987 CB ASN A 67 2.379 1.547 3.950 1.00 0.00 C ATOM 988 CG ASN A 67 2.024 2.994 4.297 1.00 0.00 C ATOM 989 OD1 ASN A 67 2.313 3.459 5.382 1.00 0.00 O ATOM 990 ND2 ASN A 67 1.406 3.730 3.415 1.00 0.00 N ATOM 0 H ASN A 67 4.250 3.071 4.576 1.00 0.00 H new ATOM 0 HA ASN A 67 3.150 0.761 5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.658 1.472 2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.511 0.904 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.165 4.696 3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.164 3.339 2.504 1.00 0.00 H new ATOM 997 N HIS A 68 4.636 -1.086 4.925 1.00 0.00 N ATOM 998 CA HIS A 68 5.324 -2.262 4.330 1.00 0.00 C ATOM 999 C HIS A 68 4.288 -3.175 3.671 1.00 0.00 C ATOM 1000 O HIS A 68 3.954 -2.928 2.524 1.00 0.00 O ATOM 1001 CB HIS A 68 6.062 -3.034 5.425 1.00 0.00 C ATOM 1002 CG HIS A 68 6.811 -2.068 6.301 1.00 0.00 C ATOM 1003 ND1 HIS A 68 8.098 -1.646 6.005 1.00 0.00 N ATOM 1004 CD2 HIS A 68 6.466 -1.430 7.466 1.00 0.00 C ATOM 1005 CE1 HIS A 68 8.477 -0.793 6.973 1.00 0.00 C ATOM 1006 NE2 HIS A 68 7.519 -0.625 7.889 1.00 0.00 N ATOM 1007 OXT HIS A 68 3.848 -4.107 4.324 1.00 0.00 O ATOM 0 H HIS A 68 4.511 -1.123 5.937 1.00 0.00 H new ATOM 0 HA HIS A 68 6.041 -1.923 3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.353 -3.608 6.021 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.754 -3.748 4.978 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.521 -1.537 7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 68 9.439 -0.303 7.006 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.552 -0.034 8.720 1.00 0.00 H new TER 1015 HIS A 68