USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 64:sc= 0.335 USER MOD Single : A 17 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.96) USER MOD Single : A 22 HIS : no HD1:sc= -0.066 X(o=-0.066,f=-0.0031) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.52) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= -6.13! (180deg=-6.55!) USER MOD Single : A 44 MET CE :methyl -137:sc= -9.38! (180deg=-12.7!) USER MOD Single : A 50 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.5!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc=-0.00511 (180deg=-0.127) USER MOD Single : A 60 LYS NZ :NH3+ 156:sc= -0.102 (180deg=-0.57) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -153:sc= -0.218 (180deg=-1) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 140:sc= 0.976 USER MOD Single : A 80 SER OG : rot 180:sc= -1 USER MOD Single : A 81 TYR OH : rot 180:sc=-0.00937 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 50:sc= 1.13 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.221 USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= -0.639 (180deg=-2.21!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 99 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.058) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 103 SER OG : rot -137:sc= -0.792 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 0.721 22.432 3.430 1.00 0.00 N ATOM 67 CA GLU A 8 1.533 21.241 3.650 1.00 0.00 C ATOM 68 C GLU A 8 0.801 19.988 3.180 1.00 0.00 C ATOM 69 O GLU A 8 -0.329 20.061 2.696 1.00 0.00 O ATOM 70 CB GLU A 8 1.893 21.109 5.132 1.00 0.00 C ATOM 71 CG GLU A 8 0.684 21.087 6.052 1.00 0.00 C ATOM 72 CD GLU A 8 0.282 22.472 6.520 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.982 23.029 7.392 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.732 22.999 6.016 1.00 0.00 O ATOM 0 HA GLU A 8 2.449 21.345 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.467 20.194 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.540 21.939 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.155 20.625 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.903 20.464 6.919 1.00 0.00 H new ATOM 81 N VAL A 9 1.453 18.839 3.324 1.00 0.00 N ATOM 82 CA VAL A 9 0.864 17.569 2.915 1.00 0.00 C ATOM 83 C VAL A 9 0.104 16.920 4.065 1.00 0.00 C ATOM 84 O VAL A 9 0.555 16.939 5.210 1.00 0.00 O ATOM 85 CB VAL A 9 1.940 16.590 2.407 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.894 16.215 3.530 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.291 15.350 1.810 1.00 0.00 C ATOM 0 H VAL A 9 2.389 18.761 3.721 1.00 0.00 H new ATOM 0 HA VAL A 9 0.170 17.788 2.104 1.00 0.00 H new ATOM 0 HB VAL A 9 2.516 17.084 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.647 15.523 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.383 17.113 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.337 15.740 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.065 14.669 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.690 14.852 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.653 15.639 0.975 1.00 0.00 H new ATOM 97 N ASP A 10 -1.052 16.345 3.753 1.00 0.00 N ATOM 98 CA ASP A 10 -1.876 15.687 4.761 1.00 0.00 C ATOM 99 C ASP A 10 -2.184 14.248 4.356 1.00 0.00 C ATOM 100 O ASP A 10 -2.505 13.957 3.204 1.00 0.00 O ATOM 101 CB ASP A 10 -3.178 16.461 4.970 1.00 0.00 C ATOM 102 CG ASP A 10 -3.881 16.073 6.256 1.00 0.00 C ATOM 103 OD1 ASP A 10 -3.324 16.340 7.342 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.990 15.504 6.177 1.00 0.00 O ATOM 0 H ASP A 10 -1.440 16.321 2.810 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.318 15.670 5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.964 17.530 4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.844 16.281 4.126 1.00 0.00 H new ATOM 109 N PRO A 11 -2.084 13.326 5.325 1.00 0.00 N ATOM 110 CA PRO A 11 -2.347 11.903 5.094 1.00 0.00 C ATOM 111 C PRO A 11 -3.825 11.620 4.842 1.00 0.00 C ATOM 112 O PRO A 11 -4.173 10.793 4.001 1.00 0.00 O ATOM 113 CB PRO A 11 -1.890 11.241 6.396 1.00 0.00 C ATOM 114 CG PRO A 11 -2.011 12.310 7.427 1.00 0.00 C ATOM 115 CD PRO A 11 -1.706 13.603 6.721 1.00 0.00 C ATOM 0 HA PRO A 11 -1.832 11.532 4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.512 10.381 6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.864 10.880 6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.013 12.327 7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.315 12.140 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.279 14.432 7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.652 13.869 6.807 1.00 0.00 H new ATOM 123 N ALA A 12 -4.688 12.314 5.577 1.00 0.00 N ATOM 124 CA ALA A 12 -6.128 12.139 5.432 1.00 0.00 C ATOM 125 C ALA A 12 -6.589 12.524 4.030 1.00 0.00 C ATOM 126 O ALA A 12 -7.622 12.053 3.554 1.00 0.00 O ATOM 127 CB ALA A 12 -6.868 12.960 6.477 1.00 0.00 C ATOM 0 H ALA A 12 -4.415 13.002 6.279 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.358 11.085 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.942 12.819 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.569 12.635 7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.624 14.015 6.351 1.00 0.00 H new ATOM 133 N LYS A 13 -5.817 13.382 3.373 1.00 0.00 N ATOM 134 CA LYS A 13 -6.145 13.831 2.025 1.00 0.00 C ATOM 135 C LYS A 13 -5.499 12.928 0.979 1.00 0.00 C ATOM 136 O LYS A 13 -5.984 12.824 -0.148 1.00 0.00 O ATOM 137 CB LYS A 13 -5.685 15.276 1.821 1.00 0.00 C ATOM 138 CG LYS A 13 -6.237 16.242 2.854 1.00 0.00 C ATOM 139 CD LYS A 13 -7.578 16.813 2.424 1.00 0.00 C ATOM 140 CE LYS A 13 -8.733 15.950 2.909 1.00 0.00 C ATOM 141 NZ LYS A 13 -10.047 16.624 2.719 1.00 0.00 N ATOM 0 H LYS A 13 -4.958 13.781 3.753 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.227 13.780 1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.596 15.309 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.987 15.608 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.348 15.730 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.527 17.055 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.687 17.824 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.611 16.889 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.730 15.003 2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.594 15.717 3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.808 16.004 3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.060 17.516 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.192 16.824 1.709 1.00 0.00 H new ATOM 155 N CYS A 14 -4.406 12.277 1.360 1.00 0.00 N ATOM 156 CA CYS A 14 -3.694 11.382 0.454 1.00 0.00 C ATOM 157 C CYS A 14 -4.607 10.260 -0.029 1.00 0.00 C ATOM 158 O CYS A 14 -5.656 10.001 0.561 1.00 0.00 O ATOM 159 CB CYS A 14 -2.464 10.794 1.147 1.00 0.00 C ATOM 160 SG CYS A 14 -1.086 11.952 1.314 1.00 0.00 S ATOM 0 H CYS A 14 -3.993 12.352 2.290 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.371 11.961 -0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.752 10.443 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.126 9.923 0.586 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.436 12.933 2.091 1.00 0.00 H new ATOM 166 N VAL A 15 -4.201 9.596 -1.107 1.00 0.00 N ATOM 167 CA VAL A 15 -4.982 8.502 -1.670 1.00 0.00 C ATOM 168 C VAL A 15 -4.078 7.458 -2.318 1.00 0.00 C ATOM 169 O VAL A 15 -2.881 7.685 -2.500 1.00 0.00 O ATOM 170 CB VAL A 15 -5.990 9.012 -2.716 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.314 9.365 -2.055 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.422 10.209 -3.463 1.00 0.00 C ATOM 0 H VAL A 15 -3.335 9.797 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.527 8.045 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.173 8.215 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.014 9.724 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.726 8.480 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.153 10.145 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.148 10.557 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.209 11.011 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.502 9.918 -3.970 1.00 0.00 H new ATOM 182 N LEU A 16 -4.658 6.315 -2.665 1.00 0.00 N ATOM 183 CA LEU A 16 -3.906 5.235 -3.294 1.00 0.00 C ATOM 184 C LEU A 16 -4.561 4.805 -4.602 1.00 0.00 C ATOM 185 O LEU A 16 -5.778 4.633 -4.670 1.00 0.00 O ATOM 186 CB LEU A 16 -3.801 4.039 -2.345 1.00 0.00 C ATOM 187 CG LEU A 16 -3.407 4.360 -0.903 1.00 0.00 C ATOM 188 CD1 LEU A 16 -3.968 3.315 0.049 1.00 0.00 C ATOM 189 CD2 LEU A 16 -1.893 4.445 -0.771 1.00 0.00 C ATOM 0 H LEU A 16 -5.647 6.112 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.905 5.604 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.762 3.525 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.071 3.340 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.831 5.329 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.677 3.560 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.055 3.301 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.574 2.334 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.630 4.674 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.449 3.491 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.514 5.231 -1.425 1.00 0.00 H new ATOM 201 N GLN A 17 -3.746 4.631 -5.637 1.00 0.00 N ATOM 202 CA GLN A 17 -4.247 4.219 -6.943 1.00 0.00 C ATOM 203 C GLN A 17 -3.968 2.740 -7.192 1.00 0.00 C ATOM 204 O GLN A 17 -3.180 2.119 -6.480 1.00 0.00 O ATOM 205 CB GLN A 17 -3.609 5.063 -8.047 1.00 0.00 C ATOM 206 CG GLN A 17 -4.012 6.528 -8.003 1.00 0.00 C ATOM 207 CD GLN A 17 -5.496 6.733 -8.240 1.00 0.00 C ATOM 208 OE1 GLN A 17 -6.150 5.918 -8.891 1.00 0.00 O ATOM 209 NE2 GLN A 17 -6.035 7.825 -7.710 1.00 0.00 N ATOM 0 H GLN A 17 -2.736 4.769 -5.597 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.326 4.373 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.524 4.991 -7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.886 4.648 -9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.742 6.946 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.448 7.079 -8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.455 8.473 -7.178 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.029 8.015 -7.835 1.00 0.00 H new ATOM 218 N GLY A 18 -4.620 2.182 -8.207 1.00 0.00 N ATOM 219 CA GLY A 18 -4.429 0.781 -8.531 1.00 0.00 C ATOM 220 C GLY A 18 -5.740 0.053 -8.752 1.00 0.00 C ATOM 221 O GLY A 18 -6.642 0.120 -7.919 1.00 0.00 O ATOM 0 H GLY A 18 -5.277 2.676 -8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.816 0.699 -9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.879 0.296 -7.724 1.00 0.00 H new ATOM 225 N GLU A 19 -5.845 -0.644 -9.880 1.00 0.00 N ATOM 226 CA GLU A 19 -7.057 -1.385 -10.208 1.00 0.00 C ATOM 227 C GLU A 19 -7.230 -2.584 -9.281 1.00 0.00 C ATOM 228 O GLU A 19 -6.371 -3.463 -9.219 1.00 0.00 O ATOM 229 CB GLU A 19 -7.016 -1.854 -11.664 1.00 0.00 C ATOM 230 CG GLU A 19 -7.538 -0.824 -12.651 1.00 0.00 C ATOM 231 CD GLU A 19 -7.008 0.570 -12.375 1.00 0.00 C ATOM 232 OE1 GLU A 19 -5.839 0.839 -12.725 1.00 0.00 O ATOM 233 OE2 GLU A 19 -7.760 1.390 -11.810 1.00 0.00 O ATOM 0 H GLU A 19 -5.106 -0.711 -10.580 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.908 -0.717 -10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.989 -2.108 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.604 -2.767 -11.759 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.259 -1.121 -13.662 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.627 -0.809 -12.612 1.00 0.00 H new ATOM 240 N ASP A 20 -8.346 -2.611 -8.561 1.00 0.00 N ATOM 241 CA ASP A 20 -8.634 -3.701 -7.636 1.00 0.00 C ATOM 242 C ASP A 20 -7.569 -3.784 -6.546 1.00 0.00 C ATOM 243 O ASP A 20 -7.006 -4.850 -6.293 1.00 0.00 O ATOM 244 CB ASP A 20 -8.714 -5.030 -8.390 1.00 0.00 C ATOM 245 CG ASP A 20 -9.828 -5.045 -9.418 1.00 0.00 C ATOM 246 OD1 ASP A 20 -11.008 -5.090 -9.013 1.00 0.00 O ATOM 247 OD2 ASP A 20 -9.519 -5.013 -10.628 1.00 0.00 O ATOM 0 H ASP A 20 -9.067 -1.890 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.596 -3.501 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.763 -5.221 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.870 -5.840 -7.678 1.00 0.00 H new ATOM 252 N LEU A 21 -7.297 -2.653 -5.905 1.00 0.00 N ATOM 253 CA LEU A 21 -6.299 -2.597 -4.843 1.00 0.00 C ATOM 254 C LEU A 21 -6.624 -3.596 -3.737 1.00 0.00 C ATOM 255 O LEU A 21 -5.760 -3.953 -2.935 1.00 0.00 O ATOM 256 CB LEU A 21 -6.222 -1.183 -4.263 1.00 0.00 C ATOM 257 CG LEU A 21 -5.236 -0.232 -4.942 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.482 1.200 -4.494 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.803 -0.647 -4.644 1.00 0.00 C ATOM 0 H LEU A 21 -7.754 -1.762 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.332 -2.860 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.216 -0.738 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.956 -1.258 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.392 -0.286 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.771 1.863 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.497 1.495 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.354 1.270 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.115 0.041 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.633 -0.623 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.632 -1.657 -5.015 1.00 0.00 H new ATOM 271 N HIS A 22 -7.874 -4.045 -3.701 1.00 0.00 N ATOM 272 CA HIS A 22 -8.313 -5.005 -2.695 1.00 0.00 C ATOM 273 C HIS A 22 -8.266 -6.428 -3.245 1.00 0.00 C ATOM 274 O HIS A 22 -8.949 -7.321 -2.742 1.00 0.00 O ATOM 275 CB HIS A 22 -9.730 -4.674 -2.227 1.00 0.00 C ATOM 276 CG HIS A 22 -9.812 -3.429 -1.399 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.365 -3.399 -0.136 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.405 -2.164 -1.659 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.296 -2.170 0.344 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.718 -1.401 -0.561 1.00 0.00 N ATOM 0 H HIS A 22 -8.601 -3.759 -4.357 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.633 -4.939 -1.845 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.375 -4.564 -3.099 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.117 -5.512 -1.648 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.924 -1.819 -2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.652 -1.849 1.312 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.534 -0.403 -0.461 1.00 0.00 H new ATOM 289 N ARG A 23 -7.456 -6.631 -4.279 1.00 0.00 N ATOM 290 CA ARG A 23 -7.321 -7.944 -4.898 1.00 0.00 C ATOM 291 C ARG A 23 -5.858 -8.255 -5.200 1.00 0.00 C ATOM 292 O ARG A 23 -5.099 -7.378 -5.612 1.00 0.00 O ATOM 293 CB ARG A 23 -8.145 -8.011 -6.185 1.00 0.00 C ATOM 294 CG ARG A 23 -8.689 -9.397 -6.488 1.00 0.00 C ATOM 295 CD ARG A 23 -10.071 -9.597 -5.885 1.00 0.00 C ATOM 296 NE ARG A 23 -10.038 -9.585 -4.425 1.00 0.00 N ATOM 297 CZ ARG A 23 -11.084 -9.271 -3.669 1.00 0.00 C ATOM 298 NH1 ARG A 23 -12.240 -8.945 -4.233 1.00 0.00 N ATOM 299 NH2 ARG A 23 -10.976 -9.282 -2.347 1.00 0.00 N ATOM 0 H ARG A 23 -6.883 -5.903 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.695 -8.690 -4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.978 -7.311 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.526 -7.682 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.737 -9.542 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.007 -10.151 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.738 -8.811 -6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.484 -10.545 -6.231 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.164 -9.831 -3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.327 -8.935 -5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.042 -8.704 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.089 -9.532 -1.910 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.780 -9.041 -1.768 1.00 0.00 H new ATOM 313 N ALA A 24 -5.470 -9.509 -4.992 1.00 0.00 N ATOM 314 CA ALA A 24 -4.099 -9.936 -5.243 1.00 0.00 C ATOM 315 C ALA A 24 -4.047 -11.406 -5.645 1.00 0.00 C ATOM 316 O ALA A 24 -5.010 -12.148 -5.446 1.00 0.00 O ATOM 317 CB ALA A 24 -3.237 -9.692 -4.014 1.00 0.00 C ATOM 0 H ALA A 24 -6.086 -10.247 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.707 -9.346 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.216 -10.016 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.240 -8.629 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.637 -10.256 -3.171 1.00 0.00 H new ATOM 323 N ARG A 25 -2.919 -11.820 -6.211 1.00 0.00 N ATOM 324 CA ARG A 25 -2.743 -13.202 -6.642 1.00 0.00 C ATOM 325 C ARG A 25 -1.456 -13.790 -6.070 1.00 0.00 C ATOM 326 O ARG A 25 -0.412 -13.139 -6.069 1.00 0.00 O ATOM 327 CB ARG A 25 -2.718 -13.283 -8.169 1.00 0.00 C ATOM 328 CG ARG A 25 -2.314 -14.648 -8.701 1.00 0.00 C ATOM 329 CD ARG A 25 -3.513 -15.575 -8.823 1.00 0.00 C ATOM 330 NE ARG A 25 -4.203 -15.413 -10.100 1.00 0.00 N ATOM 331 CZ ARG A 25 -5.117 -16.262 -10.555 1.00 0.00 C ATOM 332 NH1 ARG A 25 -5.450 -17.328 -9.841 1.00 0.00 N ATOM 333 NH2 ARG A 25 -5.700 -16.046 -11.727 1.00 0.00 N ATOM 0 H ARG A 25 -2.113 -11.219 -6.382 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.586 -13.783 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.706 -13.031 -8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.026 -12.534 -8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.840 -14.534 -9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.574 -15.094 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.184 -16.609 -8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.209 -15.377 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.970 -14.603 -10.674 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.004 -17.498 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.152 -17.978 -10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.446 -15.227 -12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.402 -16.699 -12.075 1.00 0.00 H new ATOM 347 N GLU A 26 -1.540 -15.025 -5.585 1.00 0.00 N ATOM 348 CA GLU A 26 -0.383 -15.699 -5.009 1.00 0.00 C ATOM 349 C GLU A 26 0.868 -15.443 -5.845 1.00 0.00 C ATOM 350 O GLU A 26 0.802 -15.363 -7.072 1.00 0.00 O ATOM 351 CB GLU A 26 -0.641 -17.204 -4.904 1.00 0.00 C ATOM 352 CG GLU A 26 0.624 -18.028 -4.728 1.00 0.00 C ATOM 353 CD GLU A 26 1.233 -17.874 -3.348 1.00 0.00 C ATOM 354 OE1 GLU A 26 1.442 -16.720 -2.918 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.500 -18.906 -2.699 1.00 0.00 O ATOM 0 H GLU A 26 -2.397 -15.578 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.220 -15.295 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.307 -17.392 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.160 -17.539 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.396 -19.079 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.355 -17.729 -5.479 1.00 0.00 H new ATOM 362 N LYS A 27 2.007 -15.316 -5.173 1.00 0.00 N ATOM 363 CA LYS A 27 3.273 -15.070 -5.852 1.00 0.00 C ATOM 364 C LYS A 27 3.087 -14.106 -7.019 1.00 0.00 C ATOM 365 O LYS A 27 3.497 -14.393 -8.143 1.00 0.00 O ATOM 366 CB LYS A 27 3.870 -16.387 -6.354 1.00 0.00 C ATOM 367 CG LYS A 27 4.661 -17.139 -5.297 1.00 0.00 C ATOM 368 CD LYS A 27 5.488 -18.256 -5.910 1.00 0.00 C ATOM 369 CE LYS A 27 6.741 -17.718 -6.584 1.00 0.00 C ATOM 370 NZ LYS A 27 7.163 -18.568 -7.731 1.00 0.00 N ATOM 0 H LYS A 27 2.079 -15.380 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 27 3.958 -14.617 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.065 -17.026 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.520 -16.181 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.317 -16.446 -4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.977 -17.555 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.768 -18.969 -5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.886 -18.798 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.557 -16.702 -6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.550 -17.663 -5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.020 -18.168 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.363 -19.531 -7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.401 -18.600 -8.438 1.00 0.00 H new ATOM 384 N GLN A 28 2.467 -12.963 -6.743 1.00 0.00 N ATOM 385 CA GLN A 28 2.228 -11.957 -7.771 1.00 0.00 C ATOM 386 C GLN A 28 2.790 -10.604 -7.350 1.00 0.00 C ATOM 387 O GLN A 28 2.765 -10.249 -6.171 1.00 0.00 O ATOM 388 CB GLN A 28 0.730 -11.835 -8.056 1.00 0.00 C ATOM 389 CG GLN A 28 0.412 -11.040 -9.313 1.00 0.00 C ATOM 390 CD GLN A 28 0.993 -11.670 -10.564 1.00 0.00 C ATOM 391 OE1 GLN A 28 1.011 -12.893 -10.706 1.00 0.00 O ATOM 392 NE2 GLN A 28 1.471 -10.836 -11.480 1.00 0.00 N ATOM 0 H GLN A 28 2.121 -12.711 -5.817 1.00 0.00 H new ATOM 0 HA GLN A 28 2.739 -12.274 -8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.304 -12.834 -8.151 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.244 -11.361 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.669 -10.956 -9.422 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.801 -10.027 -9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.436 -9.829 -11.321 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.873 -11.202 -12.343 1.00 0.00 H new ATOM 401 N THR A 29 3.297 -9.851 -8.321 1.00 0.00 N ATOM 402 CA THR A 29 3.867 -8.537 -8.050 1.00 0.00 C ATOM 403 C THR A 29 2.803 -7.448 -8.134 1.00 0.00 C ATOM 404 O THR A 29 2.422 -7.022 -9.224 1.00 0.00 O ATOM 405 CB THR A 29 5.004 -8.204 -9.035 1.00 0.00 C ATOM 406 OG1 THR A 29 5.991 -9.242 -9.012 1.00 0.00 O ATOM 407 CG2 THR A 29 5.652 -6.873 -8.683 1.00 0.00 C ATOM 0 H THR A 29 3.325 -10.129 -9.302 1.00 0.00 H new ATOM 0 HA THR A 29 4.270 -8.570 -7.038 1.00 0.00 H new ATOM 0 HB THR A 29 4.579 -8.130 -10.036 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.710 -9.024 -9.642 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.452 -6.659 -9.392 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.905 -6.081 -8.729 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.065 -6.924 -7.675 1.00 0.00 H new ATOM 415 N ALA A 30 2.327 -7.002 -6.976 1.00 0.00 N ATOM 416 CA ALA A 30 1.309 -5.961 -6.919 1.00 0.00 C ATOM 417 C ALA A 30 1.930 -4.601 -6.620 1.00 0.00 C ATOM 418 O ALA A 30 2.577 -4.417 -5.589 1.00 0.00 O ATOM 419 CB ALA A 30 0.260 -6.306 -5.873 1.00 0.00 C ATOM 0 H ALA A 30 2.630 -7.346 -6.065 1.00 0.00 H new ATOM 0 HA ALA A 30 0.828 -5.904 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.494 -5.520 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.214 -7.253 -6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.735 -6.393 -4.896 1.00 0.00 H new ATOM 425 N SER A 31 1.730 -3.651 -7.528 1.00 0.00 N ATOM 426 CA SER A 31 2.275 -2.308 -7.362 1.00 0.00 C ATOM 427 C SER A 31 1.175 -1.257 -7.480 1.00 0.00 C ATOM 428 O SER A 31 0.288 -1.363 -8.327 1.00 0.00 O ATOM 429 CB SER A 31 3.362 -2.044 -8.406 1.00 0.00 C ATOM 430 OG SER A 31 2.825 -2.064 -9.717 1.00 0.00 O ATOM 0 H SER A 31 1.195 -3.786 -8.386 1.00 0.00 H new ATOM 0 HA SER A 31 2.713 -2.240 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.827 -1.077 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.145 -2.797 -8.319 1.00 0.00 H new ATOM 0 HG SER A 31 3.539 -1.891 -10.366 1.00 0.00 H new ATOM 436 N PHE A 32 1.240 -0.244 -6.623 1.00 0.00 N ATOM 437 CA PHE A 32 0.250 0.827 -6.629 1.00 0.00 C ATOM 438 C PHE A 32 0.924 2.191 -6.517 1.00 0.00 C ATOM 439 O PHE A 32 2.065 2.299 -6.067 1.00 0.00 O ATOM 440 CB PHE A 32 -0.741 0.639 -5.478 1.00 0.00 C ATOM 441 CG PHE A 32 -0.081 0.392 -4.152 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.534 -0.820 -3.885 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.075 1.372 -3.173 1.00 0.00 C ATOM 444 CE1 PHE A 32 1.143 -1.051 -2.665 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.532 1.147 -1.952 1.00 0.00 C ATOM 446 CZ PHE A 32 1.141 -0.066 -1.697 1.00 0.00 C ATOM 0 H PHE A 32 1.968 -0.142 -5.915 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.290 0.785 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.370 1.526 -5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.399 -0.199 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.538 -1.594 -4.638 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.550 2.323 -3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.619 -2.000 -2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.530 1.920 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.615 -0.244 -0.743 1.00 0.00 H new ATOM 456 N THR A 33 0.210 3.233 -6.931 1.00 0.00 N ATOM 457 CA THR A 33 0.737 4.591 -6.880 1.00 0.00 C ATOM 458 C THR A 33 0.128 5.375 -5.723 1.00 0.00 C ATOM 459 O THR A 33 -1.093 5.510 -5.627 1.00 0.00 O ATOM 460 CB THR A 33 0.471 5.347 -8.195 1.00 0.00 C ATOM 461 OG1 THR A 33 1.359 4.881 -9.217 1.00 0.00 O ATOM 462 CG2 THR A 33 0.651 6.845 -8.004 1.00 0.00 C ATOM 0 H THR A 33 -0.736 3.162 -7.306 1.00 0.00 H new ATOM 0 HA THR A 33 1.813 4.506 -6.730 1.00 0.00 H new ATOM 0 HB THR A 33 -0.559 5.156 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.182 5.366 -10.050 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.458 7.358 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.047 7.202 -7.247 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.672 7.051 -7.682 1.00 0.00 H new ATOM 470 N LEU A 34 0.983 5.890 -4.848 1.00 0.00 N ATOM 471 CA LEU A 34 0.528 6.662 -3.697 1.00 0.00 C ATOM 472 C LEU A 34 0.652 8.159 -3.962 1.00 0.00 C ATOM 473 O LEU A 34 1.756 8.707 -3.988 1.00 0.00 O ATOM 474 CB LEU A 34 1.335 6.284 -2.453 1.00 0.00 C ATOM 475 CG LEU A 34 1.245 7.254 -1.274 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.187 7.352 -0.772 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.177 6.819 -0.153 1.00 0.00 C ATOM 0 H LEU A 34 1.996 5.787 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.523 6.428 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.005 5.302 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.382 6.188 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 34 1.557 8.241 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.232 8.047 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.830 7.711 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.527 6.369 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.100 7.521 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.897 5.822 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.203 6.802 -0.519 1.00 0.00 H new ATOM 489 N LEU A 35 -0.486 8.817 -4.156 1.00 0.00 N ATOM 490 CA LEU A 35 -0.505 10.252 -4.417 1.00 0.00 C ATOM 491 C LEU A 35 -0.390 11.043 -3.118 1.00 0.00 C ATOM 492 O LEU A 35 -0.718 10.540 -2.042 1.00 0.00 O ATOM 493 CB LEU A 35 -1.790 10.639 -5.151 1.00 0.00 C ATOM 494 CG LEU A 35 -2.103 9.846 -6.420 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.445 10.269 -6.997 1.00 0.00 C ATOM 496 CD2 LEU A 35 -0.997 10.028 -7.449 1.00 0.00 C ATOM 0 H LEU A 35 -1.407 8.380 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 35 0.352 10.494 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.626 10.527 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.731 11.696 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.160 8.789 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.651 9.694 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.230 10.086 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.417 11.331 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.237 9.456 -8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.908 11.084 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.053 9.674 -7.035 1.00 0.00 H new ATOM 508 N CYS A 36 0.075 12.282 -3.225 1.00 0.00 N ATOM 509 CA CYS A 36 0.232 13.144 -2.059 1.00 0.00 C ATOM 510 C CYS A 36 -0.496 14.469 -2.260 1.00 0.00 C ATOM 511 O CYS A 36 -0.144 15.257 -3.139 1.00 0.00 O ATOM 512 CB CYS A 36 1.714 13.400 -1.783 1.00 0.00 C ATOM 513 SG CYS A 36 2.705 11.896 -1.621 1.00 0.00 S ATOM 0 H CYS A 36 0.350 12.713 -4.108 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.207 12.635 -1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.123 14.007 -2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.807 13.984 -0.867 1.00 0.00 H new ATOM 0 HG CYS A 36 3.944 12.215 -1.391 1.00 0.00 H new ATOM 519 N LYS A 37 -1.515 14.709 -1.442 1.00 0.00 N ATOM 520 CA LYS A 37 -2.295 15.938 -1.529 1.00 0.00 C ATOM 521 C LYS A 37 -2.118 16.784 -0.272 1.00 0.00 C ATOM 522 O LYS A 37 -1.729 16.277 0.780 1.00 0.00 O ATOM 523 CB LYS A 37 -3.776 15.613 -1.733 1.00 0.00 C ATOM 524 CG LYS A 37 -4.128 15.253 -3.166 1.00 0.00 C ATOM 525 CD LYS A 37 -3.986 13.761 -3.417 1.00 0.00 C ATOM 526 CE LYS A 37 -3.625 13.471 -4.866 1.00 0.00 C ATOM 527 NZ LYS A 37 -2.258 13.954 -5.205 1.00 0.00 N ATOM 0 H LYS A 37 -1.820 14.068 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.933 16.509 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.050 14.784 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.373 16.471 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.151 15.563 -3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.480 15.801 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.218 13.352 -2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.920 13.258 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.686 12.398 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.352 13.948 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.964 13.551 -6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.263 14.992 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.591 13.657 -4.464 1.00 0.00 H new ATOM 541 N ASP A 38 -2.406 18.076 -0.389 1.00 0.00 N ATOM 542 CA ASP A 38 -2.281 18.992 0.738 1.00 0.00 C ATOM 543 C ASP A 38 -3.532 18.955 1.610 1.00 0.00 C ATOM 544 O ASP A 38 -4.467 18.202 1.340 1.00 0.00 O ATOM 545 CB ASP A 38 -2.035 20.417 0.240 1.00 0.00 C ATOM 546 CG ASP A 38 -3.183 20.944 -0.598 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.094 20.153 -0.922 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.172 22.148 -0.929 1.00 0.00 O ATOM 0 H ASP A 38 -2.728 18.512 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.430 18.673 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.881 21.076 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.118 20.440 -0.350 1.00 0.00 H new ATOM 553 N ALA A 39 -3.541 19.772 2.658 1.00 0.00 N ATOM 554 CA ALA A 39 -4.678 19.832 3.570 1.00 0.00 C ATOM 555 C ALA A 39 -5.944 20.269 2.840 1.00 0.00 C ATOM 556 O ALA A 39 -7.050 20.134 3.362 1.00 0.00 O ATOM 557 CB ALA A 39 -4.379 20.778 4.723 1.00 0.00 C ATOM 0 H ALA A 39 -2.775 20.401 2.897 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.846 18.832 3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.236 20.813 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.504 20.423 5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.183 21.777 4.333 1.00 0.00 H new ATOM 563 N ALA A 40 -5.774 20.792 1.631 1.00 0.00 N ATOM 564 CA ALA A 40 -6.903 21.247 0.829 1.00 0.00 C ATOM 565 C ALA A 40 -7.479 20.107 -0.005 1.00 0.00 C ATOM 566 O ALA A 40 -8.567 20.223 -0.566 1.00 0.00 O ATOM 567 CB ALA A 40 -6.483 22.400 -0.069 1.00 0.00 C ATOM 0 H ALA A 40 -4.865 20.911 1.185 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.681 21.595 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.336 22.729 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.126 23.228 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.685 22.071 -0.734 1.00 0.00 H new ATOM 573 N GLY A 41 -6.739 19.005 -0.083 1.00 0.00 N ATOM 574 CA GLY A 41 -7.192 17.860 -0.852 1.00 0.00 C ATOM 575 C GLY A 41 -6.942 18.024 -2.338 1.00 0.00 C ATOM 576 O GLY A 41 -7.694 17.502 -3.160 1.00 0.00 O ATOM 0 H GLY A 41 -5.834 18.885 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.683 16.964 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.258 17.710 -0.680 1.00 0.00 H new ATOM 580 N GLU A 42 -5.885 18.753 -2.682 1.00 0.00 N ATOM 581 CA GLU A 42 -5.541 18.986 -4.079 1.00 0.00 C ATOM 582 C GLU A 42 -4.077 18.646 -4.344 1.00 0.00 C ATOM 583 O GLU A 42 -3.269 18.577 -3.418 1.00 0.00 O ATOM 584 CB GLU A 42 -5.814 20.444 -4.459 1.00 0.00 C ATOM 585 CG GLU A 42 -4.803 21.421 -3.883 1.00 0.00 C ATOM 586 CD GLU A 42 -5.281 22.859 -3.947 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.419 23.388 -5.070 1.00 0.00 O ATOM 588 OE2 GLU A 42 -5.516 23.455 -2.875 1.00 0.00 O ATOM 0 H GLU A 42 -5.253 19.192 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.164 18.335 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.816 20.534 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.811 20.720 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.597 21.156 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.863 21.330 -4.428 1.00 0.00 H new ATOM 595 N ILE A 43 -3.745 18.433 -5.612 1.00 0.00 N ATOM 596 CA ILE A 43 -2.380 18.101 -5.998 1.00 0.00 C ATOM 597 C ILE A 43 -1.410 19.207 -5.597 1.00 0.00 C ATOM 598 O ILE A 43 -1.645 20.383 -5.873 1.00 0.00 O ATOM 599 CB ILE A 43 -2.266 17.860 -7.516 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.196 16.724 -7.945 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.827 17.546 -7.896 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.572 15.352 -7.820 1.00 0.00 C ATOM 0 H ILE A 43 -4.403 18.484 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.119 17.183 -5.472 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.569 18.768 -8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.102 16.759 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.498 16.884 -8.980 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.763 17.378 -8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.187 18.384 -7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.499 16.650 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.288 14.596 -8.141 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.682 15.299 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.295 15.171 -6.781 1.00 0.00 H new ATOM 614 N MET A 44 -0.318 18.821 -4.944 1.00 0.00 N ATOM 615 CA MET A 44 0.690 19.780 -4.507 1.00 0.00 C ATOM 616 C MET A 44 1.851 19.837 -5.495 1.00 0.00 C ATOM 617 O MET A 44 2.417 20.901 -5.742 1.00 0.00 O ATOM 618 CB MET A 44 1.207 19.410 -3.116 1.00 0.00 C ATOM 619 CG MET A 44 1.605 17.949 -2.984 1.00 0.00 C ATOM 620 SD MET A 44 2.483 17.604 -1.447 1.00 0.00 S ATOM 621 CE MET A 44 1.207 17.958 -0.242 1.00 0.00 C ATOM 0 H MET A 44 -0.109 17.851 -4.706 1.00 0.00 H new ATOM 0 HA MET A 44 0.224 20.765 -4.464 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.068 20.035 -2.879 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.436 19.636 -2.379 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.711 17.327 -3.035 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.236 17.671 -3.828 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.635 18.522 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.417 18.545 -0.711 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.791 17.023 0.133 1.00 0.00 H new ATOM 631 N GLY A 45 2.200 18.685 -6.059 1.00 0.00 N ATOM 632 CA GLY A 45 3.292 18.626 -7.013 1.00 0.00 C ATOM 633 C GLY A 45 4.649 18.580 -6.339 1.00 0.00 C ATOM 634 O GLY A 45 5.601 19.210 -6.800 1.00 0.00 O ATOM 0 H GLY A 45 1.746 17.791 -5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.173 17.745 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.245 19.495 -7.669 1.00 0.00 H new ATOM 638 N ARG A 46 4.739 17.833 -5.243 1.00 0.00 N ATOM 639 CA ARG A 46 5.989 17.709 -4.503 1.00 0.00 C ATOM 640 C ARG A 46 5.940 16.518 -3.550 1.00 0.00 C ATOM 641 O ARG A 46 4.869 16.114 -3.099 1.00 0.00 O ATOM 642 CB ARG A 46 6.271 18.992 -3.720 1.00 0.00 C ATOM 643 CG ARG A 46 5.170 19.363 -2.741 1.00 0.00 C ATOM 644 CD ARG A 46 5.099 20.867 -2.526 1.00 0.00 C ATOM 645 NE ARG A 46 6.311 21.388 -1.900 1.00 0.00 N ATOM 646 CZ ARG A 46 6.576 22.684 -1.778 1.00 0.00 C ATOM 647 NH1 ARG A 46 5.718 23.586 -2.235 1.00 0.00 N ATOM 648 NH2 ARG A 46 7.701 23.081 -1.196 1.00 0.00 N ATOM 0 H ARG A 46 3.961 17.305 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 46 6.793 17.545 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.207 18.876 -3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.412 19.813 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.212 19.002 -3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.347 18.866 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.944 21.363 -3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.238 21.104 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 46 6.991 20.720 -1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.852 23.285 -2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.924 24.580 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.363 22.391 -0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.903 24.076 -1.103 1.00 0.00 H new ATOM 662 N GLY A 47 7.109 15.960 -3.248 1.00 0.00 N ATOM 663 CA GLY A 47 7.177 14.822 -2.351 1.00 0.00 C ATOM 664 C GLY A 47 7.679 15.200 -0.971 1.00 0.00 C ATOM 665 O GLY A 47 6.958 15.817 -0.189 1.00 0.00 O ATOM 0 H GLY A 47 8.009 16.276 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.188 14.373 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.835 14.065 -2.779 1.00 0.00 H new ATOM 669 N GLY A 48 8.919 14.826 -0.671 1.00 0.00 N ATOM 670 CA GLY A 48 9.494 15.137 0.625 1.00 0.00 C ATOM 671 C GLY A 48 8.633 14.651 1.773 1.00 0.00 C ATOM 672 O GLY A 48 8.204 15.441 2.614 1.00 0.00 O ATOM 0 H GLY A 48 9.535 14.314 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.482 14.683 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.631 16.215 0.709 1.00 0.00 H new ATOM 676 N ASP A 49 8.377 13.348 1.808 1.00 0.00 N ATOM 677 CA ASP A 49 7.560 12.757 2.862 1.00 0.00 C ATOM 678 C ASP A 49 8.091 11.382 3.255 1.00 0.00 C ATOM 679 O ASP A 49 8.954 10.823 2.579 1.00 0.00 O ATOM 680 CB ASP A 49 6.105 12.644 2.406 1.00 0.00 C ATOM 681 CG ASP A 49 5.375 13.971 2.466 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.663 14.766 3.385 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.514 14.216 1.594 1.00 0.00 O ATOM 0 H ASP A 49 8.723 12.681 1.119 1.00 0.00 H new ATOM 0 HA ASP A 49 7.610 13.409 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.076 12.262 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.586 11.919 3.033 1.00 0.00 H new ATOM 688 N ASN A 50 7.570 10.843 4.352 1.00 0.00 N ATOM 689 CA ASN A 50 7.993 9.533 4.836 1.00 0.00 C ATOM 690 C ASN A 50 6.851 8.525 4.745 1.00 0.00 C ATOM 691 O ASN A 50 5.965 8.496 5.599 1.00 0.00 O ATOM 692 CB ASN A 50 8.485 9.635 6.281 1.00 0.00 C ATOM 693 CG ASN A 50 9.951 10.013 6.367 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.747 9.658 5.499 1.00 0.00 O ATOM 695 ND2 ASN A 50 10.313 10.738 7.419 1.00 0.00 N ATOM 0 H ASN A 50 6.854 11.293 4.923 1.00 0.00 H new ATOM 0 HA ASN A 50 8.811 9.186 4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.889 10.377 6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.329 8.680 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.286 11.023 7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.618 11.010 8.115 1.00 0.00 H new ATOM 702 N VAL A 51 6.880 7.699 3.704 1.00 0.00 N ATOM 703 CA VAL A 51 5.849 6.688 3.502 1.00 0.00 C ATOM 704 C VAL A 51 6.219 5.381 4.193 1.00 0.00 C ATOM 705 O VAL A 51 7.247 4.777 3.890 1.00 0.00 O ATOM 706 CB VAL A 51 5.616 6.416 2.004 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.544 5.353 1.814 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.239 7.700 1.282 1.00 0.00 C ATOM 0 H VAL A 51 7.606 7.710 2.988 1.00 0.00 H new ATOM 0 HA VAL A 51 4.931 7.080 3.940 1.00 0.00 H new ATOM 0 HB VAL A 51 6.544 6.042 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.393 5.174 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.860 4.428 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.610 5.694 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.078 7.489 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.324 8.105 1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.044 8.427 1.389 1.00 0.00 H new ATOM 718 N GLN A 52 5.372 4.950 5.123 1.00 0.00 N ATOM 719 CA GLN A 52 5.611 3.713 5.858 1.00 0.00 C ATOM 720 C GLN A 52 4.717 2.591 5.340 1.00 0.00 C ATOM 721 O GLN A 52 3.491 2.670 5.426 1.00 0.00 O ATOM 722 CB GLN A 52 5.366 3.928 7.353 1.00 0.00 C ATOM 723 CG GLN A 52 6.181 5.066 7.945 1.00 0.00 C ATOM 724 CD GLN A 52 5.871 5.305 9.410 1.00 0.00 C ATOM 725 OE1 GLN A 52 5.191 4.503 10.051 1.00 0.00 O ATOM 726 NE2 GLN A 52 6.371 6.411 9.949 1.00 0.00 N ATOM 0 H GLN A 52 4.516 5.438 5.385 1.00 0.00 H new ATOM 0 HA GLN A 52 6.651 3.424 5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.307 4.129 7.514 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.601 3.007 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.242 4.844 7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.985 5.979 7.382 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.929 7.048 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.197 6.623 10.931 1.00 0.00 H new ATOM 735 N VAL A 53 5.338 1.546 4.802 1.00 0.00 N ATOM 736 CA VAL A 53 4.599 0.407 4.271 1.00 0.00 C ATOM 737 C VAL A 53 4.890 -0.858 5.071 1.00 0.00 C ATOM 738 O VAL A 53 6.042 -1.155 5.385 1.00 0.00 O ATOM 739 CB VAL A 53 4.943 0.156 2.791 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.225 -1.083 2.279 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.590 1.373 1.949 1.00 0.00 C ATOM 0 H VAL A 53 6.352 1.465 4.722 1.00 0.00 H new ATOM 0 HA VAL A 53 3.540 0.650 4.354 1.00 0.00 H new ATOM 0 HB VAL A 53 6.016 -0.015 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.480 -1.245 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.532 -1.949 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.148 -0.944 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.840 1.179 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.523 1.578 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.154 2.236 2.302 1.00 0.00 H new ATOM 751 N ALA A 54 3.837 -1.600 5.397 1.00 0.00 N ATOM 752 CA ALA A 54 3.979 -2.835 6.158 1.00 0.00 C ATOM 753 C ALA A 54 2.801 -3.771 5.911 1.00 0.00 C ATOM 754 O ALA A 54 1.672 -3.484 6.311 1.00 0.00 O ATOM 755 CB ALA A 54 4.110 -2.528 7.642 1.00 0.00 C ATOM 0 H ALA A 54 2.876 -1.367 5.146 1.00 0.00 H new ATOM 0 HA ALA A 54 4.885 -3.338 5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.215 -3.459 8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.989 -1.905 7.808 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.220 -2.000 7.984 1.00 0.00 H new ATOM 761 N VAL A 55 3.069 -4.892 5.249 1.00 0.00 N ATOM 762 CA VAL A 55 2.031 -5.870 4.948 1.00 0.00 C ATOM 763 C VAL A 55 2.194 -7.123 5.801 1.00 0.00 C ATOM 764 O VAL A 55 3.256 -7.746 5.813 1.00 0.00 O ATOM 765 CB VAL A 55 2.049 -6.269 3.461 1.00 0.00 C ATOM 766 CG1 VAL A 55 0.801 -7.063 3.106 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.174 -5.035 2.580 1.00 0.00 C ATOM 0 H VAL A 55 3.997 -5.145 4.911 1.00 0.00 H new ATOM 0 HA VAL A 55 1.076 -5.398 5.178 1.00 0.00 H new ATOM 0 HB VAL A 55 2.917 -6.904 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.831 -7.336 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.760 -7.967 3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.084 -6.456 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.185 -5.336 1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.327 -4.373 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.100 -4.511 2.817 1.00 0.00 H new ATOM 777 N VAL A 56 1.134 -7.489 6.515 1.00 0.00 N ATOM 778 CA VAL A 56 1.158 -8.670 7.370 1.00 0.00 C ATOM 779 C VAL A 56 -0.078 -9.535 7.148 1.00 0.00 C ATOM 780 O VAL A 56 -1.202 -9.042 7.047 1.00 0.00 O ATOM 781 CB VAL A 56 1.239 -8.283 8.859 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.529 -9.507 9.714 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.295 -7.209 9.073 1.00 0.00 C ATOM 0 H VAL A 56 0.248 -6.984 6.518 1.00 0.00 H new ATOM 0 HA VAL A 56 2.048 -9.238 7.100 1.00 0.00 H new ATOM 0 HB VAL A 56 0.275 -7.877 9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.583 -9.214 10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.733 -10.240 9.582 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.480 -9.946 9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.339 -6.947 10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.266 -7.585 8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.037 -6.324 8.491 1.00 0.00 H new ATOM 793 N PRO A 57 0.132 -10.857 7.069 1.00 0.00 N ATOM 794 CA PRO A 57 -0.953 -11.820 6.859 1.00 0.00 C ATOM 795 C PRO A 57 -1.867 -11.938 8.074 1.00 0.00 C ATOM 796 O PRO A 57 -1.398 -12.035 9.208 1.00 0.00 O ATOM 797 CB PRO A 57 -0.215 -13.138 6.614 1.00 0.00 C ATOM 798 CG PRO A 57 1.096 -12.972 7.301 1.00 0.00 C ATOM 799 CD PRO A 57 1.445 -11.514 7.179 1.00 0.00 C ATOM 0 HA PRO A 57 -1.608 -11.524 6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.770 -13.984 7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.083 -13.325 5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.029 -13.271 8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.861 -13.596 6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.000 -11.160 8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.065 -11.321 6.304 1.00 0.00 H new ATOM 807 N LYS A 58 -3.172 -11.931 7.830 1.00 0.00 N ATOM 808 CA LYS A 58 -4.153 -12.039 8.903 1.00 0.00 C ATOM 809 C LYS A 58 -4.075 -13.407 9.575 1.00 0.00 C ATOM 810 O LYS A 58 -4.602 -13.602 10.670 1.00 0.00 O ATOM 811 CB LYS A 58 -5.564 -11.807 8.359 1.00 0.00 C ATOM 812 CG LYS A 58 -6.556 -11.353 9.415 1.00 0.00 C ATOM 813 CD LYS A 58 -7.858 -10.880 8.791 1.00 0.00 C ATOM 814 CE LYS A 58 -8.850 -10.421 9.849 1.00 0.00 C ATOM 815 NZ LYS A 58 -8.371 -9.209 10.570 1.00 0.00 N ATOM 0 H LYS A 58 -3.576 -11.852 6.897 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.927 -11.274 9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.521 -11.059 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.926 -12.730 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.758 -12.174 10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.119 -10.546 10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.655 -10.061 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.297 -11.688 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.810 -10.208 9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.017 -11.227 10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.144 -8.819 11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.574 -9.465 11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.059 -8.496 9.881 1.00 0.00 H new ATOM 829 N ASP A 59 -3.413 -14.349 8.913 1.00 0.00 N ATOM 830 CA ASP A 59 -3.264 -15.698 9.447 1.00 0.00 C ATOM 831 C ASP A 59 -2.187 -15.738 10.527 1.00 0.00 C ATOM 832 O ASP A 59 -2.443 -16.150 11.659 1.00 0.00 O ATOM 833 CB ASP A 59 -2.917 -16.678 8.326 1.00 0.00 C ATOM 834 CG ASP A 59 -3.902 -16.614 7.175 1.00 0.00 C ATOM 835 OD1 ASP A 59 -5.123 -16.618 7.437 1.00 0.00 O ATOM 836 OD2 ASP A 59 -3.451 -16.558 6.012 1.00 0.00 O ATOM 0 H ASP A 59 -2.971 -14.204 8.005 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.213 -15.993 9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.915 -16.461 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.896 -17.691 8.727 1.00 0.00 H new ATOM 841 N LYS A 60 -0.982 -15.309 10.169 1.00 0.00 N ATOM 842 CA LYS A 60 0.135 -15.296 11.106 1.00 0.00 C ATOM 843 C LYS A 60 0.425 -13.878 11.588 1.00 0.00 C ATOM 844 O LYS A 60 0.199 -12.907 10.864 1.00 0.00 O ATOM 845 CB LYS A 60 1.385 -15.888 10.451 1.00 0.00 C ATOM 846 CG LYS A 60 1.124 -17.185 9.705 1.00 0.00 C ATOM 847 CD LYS A 60 1.161 -18.383 10.639 1.00 0.00 C ATOM 848 CE LYS A 60 1.497 -19.664 9.891 1.00 0.00 C ATOM 849 NZ LYS A 60 2.874 -19.629 9.324 1.00 0.00 N ATOM 0 H LYS A 60 -0.754 -14.965 9.236 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.140 -15.905 11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.802 -15.158 9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.138 -16.065 11.219 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.152 -17.135 9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.870 -17.311 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.901 -18.213 11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.195 -18.491 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.404 -20.514 10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.777 -19.815 9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.219 -20.601 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.860 -19.138 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.506 -19.124 9.978 1.00 0.00 H new ATOM 863 N LYS A 61 0.927 -13.765 12.813 1.00 0.00 N ATOM 864 CA LYS A 61 1.250 -12.465 13.391 1.00 0.00 C ATOM 865 C LYS A 61 2.742 -12.173 13.271 1.00 0.00 C ATOM 866 O LYS A 61 3.214 -11.120 13.699 1.00 0.00 O ATOM 867 CB LYS A 61 0.826 -12.418 14.860 1.00 0.00 C ATOM 868 CG LYS A 61 1.519 -13.456 15.727 1.00 0.00 C ATOM 869 CD LYS A 61 1.282 -13.197 17.205 1.00 0.00 C ATOM 870 CE LYS A 61 -0.069 -13.733 17.655 1.00 0.00 C ATOM 871 NZ LYS A 61 -0.234 -13.650 19.132 1.00 0.00 N ATOM 0 H LYS A 61 1.119 -14.558 13.425 1.00 0.00 H new ATOM 0 HA LYS A 61 0.703 -11.702 12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.036 -11.425 15.258 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.252 -12.565 14.923 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.154 -14.450 15.468 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.590 -13.446 15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.074 -13.666 17.789 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.333 -12.126 17.401 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.864 -13.168 17.168 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.173 -14.770 17.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.167 -14.025 19.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.510 -14.210 19.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.160 -12.658 19.434 1.00 0.00 H new ATOM 885 N ASP A 62 3.479 -13.111 12.686 1.00 0.00 N ATOM 886 CA ASP A 62 4.918 -12.952 12.508 1.00 0.00 C ATOM 887 C ASP A 62 5.288 -12.980 11.028 1.00 0.00 C ATOM 888 O ASP A 62 5.804 -12.001 10.489 1.00 0.00 O ATOM 889 CB ASP A 62 5.670 -14.054 13.255 1.00 0.00 C ATOM 890 CG ASP A 62 7.175 -13.888 13.170 1.00 0.00 C ATOM 891 OD1 ASP A 62 7.659 -12.756 13.375 1.00 0.00 O ATOM 892 OD2 ASP A 62 7.868 -14.890 12.897 1.00 0.00 O ATOM 0 H ASP A 62 3.104 -13.989 12.327 1.00 0.00 H new ATOM 0 HA ASP A 62 5.206 -11.984 12.918 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.366 -14.052 14.302 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.391 -15.024 12.843 1.00 0.00 H new ATOM 897 N SER A 63 5.023 -14.108 10.377 1.00 0.00 N ATOM 898 CA SER A 63 5.333 -14.265 8.961 1.00 0.00 C ATOM 899 C SER A 63 5.171 -12.941 8.220 1.00 0.00 C ATOM 900 O SER A 63 4.073 -12.557 7.816 1.00 0.00 O ATOM 901 CB SER A 63 4.428 -15.327 8.334 1.00 0.00 C ATOM 902 OG SER A 63 4.923 -15.737 7.071 1.00 0.00 O ATOM 0 H SER A 63 4.594 -14.927 10.808 1.00 0.00 H new ATOM 0 HA SER A 63 6.371 -14.586 8.875 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.359 -16.189 8.998 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.419 -14.929 8.221 1.00 0.00 H new ATOM 0 HG SER A 63 4.328 -16.417 6.692 1.00 0.00 H new ATOM 908 N PRO A 64 6.291 -12.226 8.036 1.00 0.00 N ATOM 909 CA PRO A 64 6.301 -10.935 7.343 1.00 0.00 C ATOM 910 C PRO A 64 6.030 -11.077 5.849 1.00 0.00 C ATOM 911 O PRO A 64 5.820 -12.182 5.348 1.00 0.00 O ATOM 912 CB PRO A 64 7.721 -10.415 7.582 1.00 0.00 C ATOM 913 CG PRO A 64 8.540 -11.639 7.805 1.00 0.00 C ATOM 914 CD PRO A 64 7.634 -12.624 8.491 1.00 0.00 C ATOM 0 HA PRO A 64 5.521 -10.269 7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.084 -9.847 6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.759 -9.750 8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.908 -12.040 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.413 -11.418 8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.867 -13.650 8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.725 -12.566 9.576 1.00 0.00 H new ATOM 922 N VAL A 65 6.036 -9.952 5.141 1.00 0.00 N ATOM 923 CA VAL A 65 5.793 -9.952 3.704 1.00 0.00 C ATOM 924 C VAL A 65 6.809 -9.080 2.974 1.00 0.00 C ATOM 925 O VAL A 65 6.841 -7.863 3.154 1.00 0.00 O ATOM 926 CB VAL A 65 4.374 -9.451 3.375 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.246 -9.145 1.890 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.335 -10.473 3.809 1.00 0.00 C ATOM 0 H VAL A 65 6.207 -9.029 5.540 1.00 0.00 H new ATOM 0 HA VAL A 65 5.894 -10.983 3.366 1.00 0.00 H new ATOM 0 HB VAL A 65 4.196 -8.529 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.237 -8.792 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.966 -8.374 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.444 -10.049 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.338 -10.103 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.509 -11.413 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.412 -10.636 4.884 1.00 0.00 H new ATOM 938 N ARG A 66 7.639 -9.712 2.150 1.00 0.00 N ATOM 939 CA ARG A 66 8.658 -8.995 1.394 1.00 0.00 C ATOM 940 C ARG A 66 8.035 -7.865 0.578 1.00 0.00 C ATOM 941 O ARG A 66 7.378 -8.105 -0.435 1.00 0.00 O ATOM 942 CB ARG A 66 9.405 -9.955 0.466 1.00 0.00 C ATOM 943 CG ARG A 66 10.624 -10.597 1.109 1.00 0.00 C ATOM 944 CD ARG A 66 11.825 -9.664 1.080 1.00 0.00 C ATOM 945 NE ARG A 66 13.046 -10.330 1.525 1.00 0.00 N ATOM 946 CZ ARG A 66 13.753 -11.156 0.762 1.00 0.00 C ATOM 947 NH1 ARG A 66 13.363 -11.415 -0.478 1.00 0.00 N ATOM 948 NH2 ARG A 66 14.854 -11.723 1.239 1.00 0.00 N ATOM 0 H ARG A 66 7.625 -10.719 1.989 1.00 0.00 H new ATOM 0 HA ARG A 66 9.364 -8.563 2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.721 -10.739 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.718 -9.414 -0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.394 -10.864 2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.868 -11.522 0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.966 -9.287 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.630 -8.802 1.717 1.00 0.00 H new ATOM 0 HE ARG A 66 13.374 -10.151 2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.518 -10.980 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.908 -12.050 -1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.158 -11.525 2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.396 -12.357 0.652 1.00 0.00 H new ATOM 962 N THR A 67 8.246 -6.632 1.028 1.00 0.00 N ATOM 963 CA THR A 67 7.704 -5.465 0.342 1.00 0.00 C ATOM 964 C THR A 67 8.818 -4.612 -0.253 1.00 0.00 C ATOM 965 O THR A 67 9.992 -4.797 0.064 1.00 0.00 O ATOM 966 CB THR A 67 6.859 -4.597 1.293 1.00 0.00 C ATOM 967 OG1 THR A 67 7.544 -4.427 2.540 1.00 0.00 O ATOM 968 CG2 THR A 67 5.498 -5.230 1.539 1.00 0.00 C ATOM 0 H THR A 67 8.788 -6.416 1.864 1.00 0.00 H new ATOM 0 HA THR A 67 7.067 -5.837 -0.460 1.00 0.00 H new ATOM 0 HB THR A 67 6.710 -3.624 0.825 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.001 -3.873 3.139 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.920 -4.599 2.214 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.967 -5.331 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.630 -6.214 1.988 1.00 0.00 H new ATOM 976 N MET A 68 8.441 -3.675 -1.118 1.00 0.00 N ATOM 977 CA MET A 68 9.409 -2.791 -1.756 1.00 0.00 C ATOM 978 C MET A 68 8.844 -1.382 -1.905 1.00 0.00 C ATOM 979 O MET A 68 7.672 -1.205 -2.239 1.00 0.00 O ATOM 980 CB MET A 68 9.807 -3.341 -3.127 1.00 0.00 C ATOM 981 CG MET A 68 11.184 -2.889 -3.587 1.00 0.00 C ATOM 982 SD MET A 68 11.422 -3.084 -5.363 1.00 0.00 S ATOM 983 CE MET A 68 12.317 -1.583 -5.752 1.00 0.00 C ATOM 0 H MET A 68 7.473 -3.509 -1.393 1.00 0.00 H new ATOM 0 HA MET A 68 10.293 -2.743 -1.121 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.784 -4.430 -3.093 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.066 -3.029 -3.863 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.327 -1.842 -3.318 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.946 -3.461 -3.057 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.538 -1.557 -6.819 1.00 0.00 H new ATOM 0 HE2 MET A 68 11.709 -0.718 -5.486 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.249 -1.559 -5.188 1.00 0.00 H new ATOM 993 N VAL A 69 9.683 -0.383 -1.653 1.00 0.00 N ATOM 994 CA VAL A 69 9.267 1.011 -1.759 1.00 0.00 C ATOM 995 C VAL A 69 10.330 1.850 -2.460 1.00 0.00 C ATOM 996 O VAL A 69 11.442 2.005 -1.956 1.00 0.00 O ATOM 997 CB VAL A 69 8.979 1.618 -0.374 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.250 1.668 0.462 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.371 3.005 -0.516 1.00 0.00 C ATOM 0 H VAL A 69 10.655 -0.513 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 69 8.351 1.024 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 69 8.259 0.981 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.027 2.100 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.640 0.658 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.995 2.282 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.174 3.419 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.066 3.654 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.437 2.937 -1.074 1.00 0.00 H new ATOM 1009 N GLN A 70 9.979 2.388 -3.623 1.00 0.00 N ATOM 1010 CA GLN A 70 10.904 3.212 -4.393 1.00 0.00 C ATOM 1011 C GLN A 70 10.531 4.688 -4.293 1.00 0.00 C ATOM 1012 O GLN A 70 9.896 5.240 -5.192 1.00 0.00 O ATOM 1013 CB GLN A 70 10.912 2.774 -5.858 1.00 0.00 C ATOM 1014 CG GLN A 70 12.210 3.092 -6.581 1.00 0.00 C ATOM 1015 CD GLN A 70 12.192 2.656 -8.033 1.00 0.00 C ATOM 1016 OE1 GLN A 70 12.733 1.607 -8.385 1.00 0.00 O ATOM 1017 NE2 GLN A 70 11.568 3.460 -8.885 1.00 0.00 N ATOM 0 H GLN A 70 9.062 2.269 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 70 11.902 3.079 -3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.731 1.700 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.087 3.261 -6.379 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.396 4.165 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.037 2.600 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.133 4.320 -8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.523 3.218 -9.875 1.00 0.00 H new ATOM 1026 N ASP A 71 10.929 5.320 -3.195 1.00 0.00 N ATOM 1027 CA ASP A 71 10.637 6.733 -2.978 1.00 0.00 C ATOM 1028 C ASP A 71 11.249 7.590 -4.081 1.00 0.00 C ATOM 1029 O ASP A 71 12.408 7.410 -4.450 1.00 0.00 O ATOM 1030 CB ASP A 71 11.166 7.181 -1.614 1.00 0.00 C ATOM 1031 CG ASP A 71 12.642 6.881 -1.439 1.00 0.00 C ATOM 1032 OD1 ASP A 71 13.461 7.494 -2.156 1.00 0.00 O ATOM 1033 OD2 ASP A 71 12.977 6.035 -0.584 1.00 0.00 O ATOM 0 H ASP A 71 11.454 4.877 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 71 9.555 6.863 -3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.999 8.252 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.601 6.682 -0.827 1.00 0.00 H new ATOM 1038 N ASN A 72 10.459 8.522 -4.606 1.00 0.00 N ATOM 1039 CA ASN A 72 10.923 9.406 -5.669 1.00 0.00 C ATOM 1040 C ASN A 72 10.791 10.869 -5.256 1.00 0.00 C ATOM 1041 O ASN A 72 11.309 11.764 -5.925 1.00 0.00 O ATOM 1042 CB ASN A 72 10.129 9.154 -6.952 1.00 0.00 C ATOM 1043 CG ASN A 72 10.621 7.933 -7.706 1.00 0.00 C ATOM 1044 OD1 ASN A 72 11.685 7.959 -8.325 1.00 0.00 O ATOM 1045 ND2 ASN A 72 9.847 6.855 -7.655 1.00 0.00 N ATOM 0 H ASN A 72 9.496 8.684 -4.313 1.00 0.00 H new ATOM 0 HA ASN A 72 11.976 9.192 -5.852 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.075 9.025 -6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.200 10.029 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.126 6.003 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.973 6.879 -7.129 1.00 0.00 H new ATOM 1052 N LYS A 73 10.096 11.105 -4.148 1.00 0.00 N ATOM 1053 CA LYS A 73 9.897 12.458 -3.643 1.00 0.00 C ATOM 1054 C LYS A 73 9.452 13.396 -4.760 1.00 0.00 C ATOM 1055 O LYS A 73 9.714 14.598 -4.716 1.00 0.00 O ATOM 1056 CB LYS A 73 11.187 12.982 -3.007 1.00 0.00 C ATOM 1057 CG LYS A 73 11.516 12.331 -1.675 1.00 0.00 C ATOM 1058 CD LYS A 73 12.266 11.022 -1.864 1.00 0.00 C ATOM 1059 CE LYS A 73 12.985 10.603 -0.591 1.00 0.00 C ATOM 1060 NZ LYS A 73 13.881 11.677 -0.081 1.00 0.00 N ATOM 0 H LYS A 73 9.661 10.376 -3.583 1.00 0.00 H new ATOM 0 HA LYS A 73 9.113 12.425 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.015 12.818 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.100 14.059 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.118 13.013 -1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.595 12.147 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.567 10.241 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.989 11.129 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.251 10.349 0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.570 9.703 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.659 11.251 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.271 12.213 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.340 12.318 0.534 1.00 0.00 H new ATOM 1074 N ASP A 74 8.776 12.840 -5.759 1.00 0.00 N ATOM 1075 CA ASP A 74 8.292 13.627 -6.887 1.00 0.00 C ATOM 1076 C ASP A 74 6.772 13.759 -6.845 1.00 0.00 C ATOM 1077 O ASP A 74 6.116 13.822 -7.884 1.00 0.00 O ATOM 1078 CB ASP A 74 8.724 12.987 -8.207 1.00 0.00 C ATOM 1079 CG ASP A 74 8.859 14.001 -9.326 1.00 0.00 C ATOM 1080 OD1 ASP A 74 7.845 14.643 -9.669 1.00 0.00 O ATOM 1081 OD2 ASP A 74 9.979 14.152 -9.858 1.00 0.00 O ATOM 0 H ASP A 74 8.551 11.847 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 74 8.728 14.623 -6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.677 12.478 -8.065 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.997 12.228 -8.494 1.00 0.00 H new ATOM 1086 N GLY A 75 6.220 13.798 -5.637 1.00 0.00 N ATOM 1087 CA GLY A 75 4.782 13.921 -5.482 1.00 0.00 C ATOM 1088 C GLY A 75 4.076 12.581 -5.548 1.00 0.00 C ATOM 1089 O GLY A 75 2.906 12.468 -5.180 1.00 0.00 O ATOM 0 H GLY A 75 6.742 13.747 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.562 14.398 -4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.390 14.574 -6.262 1.00 0.00 H new ATOM 1093 N THR A 76 4.786 11.561 -6.020 1.00 0.00 N ATOM 1094 CA THR A 76 4.220 10.224 -6.136 1.00 0.00 C ATOM 1095 C THR A 76 5.218 9.163 -5.686 1.00 0.00 C ATOM 1096 O THR A 76 6.420 9.289 -5.920 1.00 0.00 O ATOM 1097 CB THR A 76 3.784 9.922 -7.582 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.900 10.057 -8.469 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.667 10.859 -8.017 1.00 0.00 C ATOM 0 H THR A 76 5.755 11.636 -6.328 1.00 0.00 H new ATOM 0 HA THR A 76 3.345 10.194 -5.487 1.00 0.00 H new ATOM 0 HB THR A 76 3.413 8.898 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.615 9.862 -9.386 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.376 10.627 -9.041 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.808 10.732 -7.358 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.016 11.890 -7.964 1.00 0.00 H new ATOM 1107 N TYR A 77 4.713 8.118 -5.041 1.00 0.00 N ATOM 1108 CA TYR A 77 5.561 7.035 -4.557 1.00 0.00 C ATOM 1109 C TYR A 77 5.242 5.729 -5.278 1.00 0.00 C ATOM 1110 O TYR A 77 4.118 5.517 -5.734 1.00 0.00 O ATOM 1111 CB TYR A 77 5.383 6.855 -3.049 1.00 0.00 C ATOM 1112 CG TYR A 77 6.063 7.926 -2.226 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.539 9.212 -2.156 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.229 7.654 -1.521 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.157 10.194 -1.406 1.00 0.00 C ATOM 1116 CE2 TYR A 77 7.852 8.630 -0.768 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.313 9.899 -0.714 1.00 0.00 C ATOM 1118 OH TYR A 77 7.932 10.874 0.034 1.00 0.00 O ATOM 0 H TYR A 77 3.720 7.998 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 77 6.598 7.299 -4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.318 6.851 -2.815 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.777 5.881 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.634 9.447 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.655 6.663 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.737 11.188 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.757 8.401 -0.224 1.00 0.00 H new ATOM 0 HH TYR A 77 8.257 10.486 0.873 1.00 0.00 H new ATOM 1128 N TYR A 78 6.239 4.856 -5.376 1.00 0.00 N ATOM 1129 CA TYR A 78 6.066 3.571 -6.042 1.00 0.00 C ATOM 1130 C TYR A 78 6.291 2.418 -5.068 1.00 0.00 C ATOM 1131 O TYR A 78 7.422 2.137 -4.672 1.00 0.00 O ATOM 1132 CB TYR A 78 7.031 3.451 -7.223 1.00 0.00 C ATOM 1133 CG TYR A 78 6.507 2.589 -8.349 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.239 2.798 -8.878 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.278 1.564 -8.883 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.755 2.013 -9.906 1.00 0.00 C ATOM 1137 CE2 TYR A 78 6.803 0.775 -9.912 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.541 1.003 -10.420 1.00 0.00 C ATOM 1139 OH TYR A 78 5.064 0.217 -11.444 1.00 0.00 O ATOM 0 H TYR A 78 7.175 5.015 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 78 5.042 3.517 -6.411 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.245 4.448 -7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.975 3.037 -6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.621 3.588 -8.478 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.266 1.381 -8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.767 2.189 -10.305 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.416 -0.016 -10.317 1.00 0.00 H new ATOM 0 HH TYR A 78 5.742 -0.446 -11.690 1.00 0.00 H new ATOM 1149 N ILE A 79 5.205 1.754 -4.688 1.00 0.00 N ATOM 1150 CA ILE A 79 5.282 0.630 -3.762 1.00 0.00 C ATOM 1151 C ILE A 79 4.949 -0.683 -4.462 1.00 0.00 C ATOM 1152 O ILE A 79 4.142 -0.715 -5.391 1.00 0.00 O ATOM 1153 CB ILE A 79 4.329 0.818 -2.568 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.657 2.115 -1.825 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.417 -0.374 -1.627 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.456 2.751 -1.161 1.00 0.00 C ATOM 0 H ILE A 79 4.261 1.974 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 79 6.308 0.593 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 79 3.308 0.885 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.414 1.909 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.093 2.826 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.737 -0.226 -0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.140 -1.282 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.437 -0.469 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.763 3.666 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.706 2.989 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.032 2.058 -0.434 1.00 0.00 H new ATOM 1168 N SER A 80 5.575 -1.764 -4.009 1.00 0.00 N ATOM 1169 CA SER A 80 5.346 -3.081 -4.593 1.00 0.00 C ATOM 1170 C SER A 80 5.467 -4.173 -3.535 1.00 0.00 C ATOM 1171 O SER A 80 6.320 -4.104 -2.649 1.00 0.00 O ATOM 1172 CB SER A 80 6.342 -3.340 -5.725 1.00 0.00 C ATOM 1173 OG SER A 80 5.900 -2.755 -6.937 1.00 0.00 O ATOM 0 H SER A 80 6.245 -1.754 -3.240 1.00 0.00 H new ATOM 0 HA SER A 80 4.334 -3.101 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.317 -2.934 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.471 -4.414 -5.862 1.00 0.00 H new ATOM 0 HG SER A 80 6.555 -2.933 -7.644 1.00 0.00 H new ATOM 1179 N TYR A 81 4.607 -5.180 -3.633 1.00 0.00 N ATOM 1180 CA TYR A 81 4.614 -6.287 -2.683 1.00 0.00 C ATOM 1181 C TYR A 81 4.253 -7.599 -3.373 1.00 0.00 C ATOM 1182 O TYR A 81 3.426 -7.629 -4.285 1.00 0.00 O ATOM 1183 CB TYR A 81 3.634 -6.012 -1.541 1.00 0.00 C ATOM 1184 CG TYR A 81 2.182 -6.125 -1.948 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.609 -7.363 -2.212 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.384 -4.994 -2.069 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.283 -7.471 -2.585 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.057 -5.093 -2.439 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.489 -6.333 -2.697 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.810 -6.435 -3.067 1.00 0.00 O ATOM 0 H TYR A 81 3.896 -5.253 -4.361 1.00 0.00 H new ATOM 0 HA TYR A 81 5.621 -6.377 -2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.830 -6.712 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.816 -5.011 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.210 -8.256 -2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.809 -4.021 -1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.147 -8.441 -2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.550 -4.204 -2.526 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.211 -5.541 -3.098 1.00 0.00 H new ATOM 1200 N THR A 82 4.880 -8.685 -2.930 1.00 0.00 N ATOM 1201 CA THR A 82 4.627 -10.000 -3.503 1.00 0.00 C ATOM 1202 C THR A 82 4.367 -11.034 -2.413 1.00 0.00 C ATOM 1203 O THR A 82 5.270 -11.442 -1.683 1.00 0.00 O ATOM 1204 CB THR A 82 5.810 -10.472 -4.370 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.271 -9.396 -5.195 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.404 -11.650 -5.244 1.00 0.00 C ATOM 0 H THR A 82 5.567 -8.679 -2.176 1.00 0.00 H new ATOM 0 HA THR A 82 3.741 -9.906 -4.130 1.00 0.00 H new ATOM 0 HB THR A 82 6.614 -10.792 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.024 -9.703 -5.742 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.255 -11.966 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.080 -12.477 -4.612 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.586 -11.352 -5.899 1.00 0.00 H new ATOM 1214 N PRO A 83 3.104 -11.470 -2.300 1.00 0.00 N ATOM 1215 CA PRO A 83 2.696 -12.464 -1.302 1.00 0.00 C ATOM 1216 C PRO A 83 3.252 -13.851 -1.604 1.00 0.00 C ATOM 1217 O PRO A 83 3.169 -14.332 -2.735 1.00 0.00 O ATOM 1218 CB PRO A 83 1.169 -12.465 -1.406 1.00 0.00 C ATOM 1219 CG PRO A 83 0.883 -12.001 -2.792 1.00 0.00 C ATOM 1220 CD PRO A 83 1.976 -11.028 -3.137 1.00 0.00 C ATOM 0 HA PRO A 83 3.069 -12.220 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.761 -13.460 -1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.721 -11.801 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.872 -12.839 -3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.096 -11.525 -2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.225 -11.063 -4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.686 -10.002 -2.911 1.00 0.00 H new ATOM 1228 N LYS A 84 3.818 -14.492 -0.587 1.00 0.00 N ATOM 1229 CA LYS A 84 4.386 -15.825 -0.743 1.00 0.00 C ATOM 1230 C LYS A 84 3.291 -16.888 -0.735 1.00 0.00 C ATOM 1231 O LYS A 84 3.306 -17.813 -1.545 1.00 0.00 O ATOM 1232 CB LYS A 84 5.393 -16.107 0.374 1.00 0.00 C ATOM 1233 CG LYS A 84 6.726 -15.405 0.183 1.00 0.00 C ATOM 1234 CD LYS A 84 7.492 -15.298 1.491 1.00 0.00 C ATOM 1235 CE LYS A 84 8.808 -14.557 1.307 1.00 0.00 C ATOM 1236 NZ LYS A 84 9.450 -14.234 2.611 1.00 0.00 N ATOM 0 H LYS A 84 3.895 -14.109 0.355 1.00 0.00 H new ATOM 0 HA LYS A 84 4.899 -15.864 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.962 -15.798 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.563 -17.182 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.324 -15.951 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.558 -14.408 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.881 -14.779 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.687 -16.296 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.487 -15.165 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.632 -13.636 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.344 -13.730 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.813 -13.633 3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.642 -15.114 3.131 1.00 0.00 H new ATOM 1250 N GLU A 85 2.342 -16.746 0.185 1.00 0.00 N ATOM 1251 CA GLU A 85 1.239 -17.693 0.297 1.00 0.00 C ATOM 1252 C GLU A 85 -0.103 -16.989 0.125 1.00 0.00 C ATOM 1253 O GLU A 85 -0.257 -15.807 0.433 1.00 0.00 O ATOM 1254 CB GLU A 85 1.285 -18.405 1.651 1.00 0.00 C ATOM 1255 CG GLU A 85 2.644 -18.998 1.982 1.00 0.00 C ATOM 1256 CD GLU A 85 3.660 -17.943 2.374 1.00 0.00 C ATOM 1257 OE1 GLU A 85 3.246 -16.803 2.671 1.00 0.00 O ATOM 1258 OE2 GLU A 85 4.869 -18.257 2.383 1.00 0.00 O ATOM 0 H GLU A 85 2.315 -15.985 0.863 1.00 0.00 H new ATOM 0 HA GLU A 85 1.346 -18.431 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.006 -17.699 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.539 -19.200 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.535 -19.713 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.015 -19.552 1.119 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.100 -17.731 -0.380 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.447 -17.199 -0.605 1.00 0.00 C ATOM 1267 C PRO A 86 -3.185 -16.920 0.700 1.00 0.00 C ATOM 1268 O PRO A 86 -2.882 -17.511 1.735 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.144 -18.317 -1.384 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.416 -19.559 -0.999 1.00 0.00 C ATOM 1271 CD PRO A 86 -0.988 -19.147 -0.770 1.00 0.00 C ATOM 0 HA PRO A 86 -2.426 -16.244 -1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.201 -18.381 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.090 -18.144 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.844 -19.999 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.484 -20.311 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.518 -19.743 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.385 -19.270 -1.670 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.157 -16.013 0.642 1.00 0.00 N ATOM 1280 CA GLY A 87 -4.923 -15.671 1.826 1.00 0.00 C ATOM 1281 C GLY A 87 -5.113 -14.176 1.982 1.00 0.00 C ATOM 1282 O GLY A 87 -4.638 -13.393 1.159 1.00 0.00 O ATOM 0 H GLY A 87 -4.427 -15.510 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.898 -16.155 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.417 -16.064 2.708 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.810 -13.776 3.041 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.062 -12.364 3.302 1.00 0.00 C ATOM 1288 C VAL A 88 -4.867 -11.710 3.987 1.00 0.00 C ATOM 1289 O VAL A 88 -4.207 -12.324 4.826 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.313 -12.170 4.180 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.098 -12.779 5.557 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.663 -10.694 4.289 1.00 0.00 C ATOM 0 H VAL A 88 -6.210 -14.410 3.732 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.228 -11.888 2.336 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.150 -12.684 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.992 -12.632 6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.899 -13.846 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.249 -12.296 6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.549 -10.575 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.829 -10.154 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.862 -10.293 3.295 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.596 -10.461 3.626 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.479 -9.724 4.204 1.00 0.00 C ATOM 1304 C TYR A 89 -3.913 -8.325 4.632 1.00 0.00 C ATOM 1305 O TYR A 89 -5.015 -7.878 4.313 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.329 -9.628 3.200 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.598 -10.935 2.991 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.210 -12.001 2.343 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.294 -11.103 3.441 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.545 -13.196 2.150 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.379 -12.295 3.251 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.251 -13.339 2.606 1.00 0.00 C ATOM 1313 OH TYR A 89 0.415 -14.528 2.415 1.00 0.00 O ATOM 0 H TYR A 89 -5.135 -9.938 2.936 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.138 -10.265 5.086 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.721 -9.283 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.619 -8.875 3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.223 -11.893 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.202 -10.288 3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.036 -14.015 1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.393 -12.409 3.606 1.00 0.00 H new ATOM 0 HH TYR A 89 0.341 -14.797 1.476 1.00 0.00 H new ATOM 1323 N THR A 90 -3.037 -7.637 5.358 1.00 0.00 N ATOM 1324 CA THR A 90 -3.328 -6.289 5.831 1.00 0.00 C ATOM 1325 C THR A 90 -2.222 -5.317 5.435 1.00 0.00 C ATOM 1326 O THR A 90 -1.090 -5.423 5.908 1.00 0.00 O ATOM 1327 CB THR A 90 -3.501 -6.257 7.361 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.244 -7.402 7.794 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.217 -4.987 7.797 1.00 0.00 C ATOM 0 H THR A 90 -2.120 -7.991 5.631 1.00 0.00 H new ATOM 0 HA THR A 90 -4.262 -5.983 5.360 1.00 0.00 H new ATOM 0 HB THR A 90 -2.511 -6.273 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.348 -7.375 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.328 -4.986 8.881 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.635 -4.118 7.491 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.202 -4.946 7.331 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.557 -4.369 4.566 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.592 -3.377 4.108 1.00 0.00 C ATOM 1339 C VAL A 91 -1.616 -2.137 4.995 1.00 0.00 C ATOM 1340 O VAL A 91 -2.672 -1.553 5.235 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.867 -2.957 2.652 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.648 -2.271 2.054 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -2.273 -4.162 1.818 1.00 0.00 C ATOM 0 H VAL A 91 -3.489 -4.267 4.165 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.608 -3.843 4.165 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.693 -2.246 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.862 -1.982 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.407 -1.383 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.199 -2.956 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.464 -3.847 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.470 -4.899 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.177 -4.605 2.235 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.444 -1.742 5.480 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.330 -0.570 6.342 1.00 0.00 C ATOM 1355 C TRP A 92 0.324 0.590 5.600 1.00 0.00 C ATOM 1356 O TRP A 92 1.478 0.499 5.179 1.00 0.00 O ATOM 1357 CB TRP A 92 0.478 -0.910 7.595 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.318 -1.640 8.635 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.181 -2.678 8.427 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.325 -1.386 10.044 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.724 -3.084 9.622 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.215 -2.308 10.629 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.335 -0.470 10.868 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.460 -2.338 11.999 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.090 -0.501 12.227 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.801 -1.430 12.782 1.00 0.00 C ATOM 0 H TRP A 92 0.440 -2.215 5.292 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.335 -0.268 6.637 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.336 -1.519 7.311 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.869 0.011 8.027 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.404 -3.115 7.465 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.397 -3.841 9.740 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.024 0.249 10.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.146 -3.053 12.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.594 0.203 12.873 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.971 -1.429 13.849 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.419 1.680 5.442 1.00 0.00 N ATOM 1378 CA VAL A 93 0.090 2.859 4.751 1.00 0.00 C ATOM 1379 C VAL A 93 -0.144 4.122 5.573 1.00 0.00 C ATOM 1380 O VAL A 93 -1.274 4.597 5.693 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.571 3.030 3.370 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.071 4.295 2.691 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.309 1.809 2.501 1.00 0.00 C ATOM 0 H VAL A 93 -1.376 1.772 5.783 1.00 0.00 H new ATOM 0 HA VAL A 93 1.161 2.709 4.617 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.648 3.124 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.549 4.398 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.314 5.160 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.009 4.235 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.783 1.946 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.765 1.682 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.722 0.923 2.984 1.00 0.00 H new ATOM 1393 N CYS A 94 0.931 4.660 6.138 1.00 0.00 N ATOM 1394 CA CYS A 94 0.843 5.869 6.950 1.00 0.00 C ATOM 1395 C CYS A 94 1.956 6.847 6.591 1.00 0.00 C ATOM 1396 O CYS A 94 3.076 6.441 6.277 1.00 0.00 O ATOM 1397 CB CYS A 94 0.918 5.516 8.437 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.094 4.094 8.909 1.00 0.00 S ATOM 0 H CYS A 94 1.873 4.279 6.049 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.115 6.346 6.745 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.956 5.313 8.699 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.605 6.381 9.021 1.00 0.00 H new ATOM 0 HG CYS A 94 0.037 3.872 10.183 1.00 0.00 H new ATOM 1404 N ILE A 95 1.641 8.137 6.638 1.00 0.00 N ATOM 1405 CA ILE A 95 2.615 9.173 6.317 1.00 0.00 C ATOM 1406 C ILE A 95 2.915 10.042 7.534 1.00 0.00 C ATOM 1407 O ILE A 95 2.027 10.702 8.074 1.00 0.00 O ATOM 1408 CB ILE A 95 2.122 10.072 5.167 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.146 9.304 3.844 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.977 11.327 5.073 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.452 10.029 2.712 1.00 0.00 C ATOM 0 H ILE A 95 0.719 8.490 6.895 1.00 0.00 H new ATOM 0 HA ILE A 95 3.526 8.663 6.004 1.00 0.00 H new ATOM 0 HB ILE A 95 1.094 10.370 5.373 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.182 9.114 3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.672 8.333 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.617 11.952 4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.914 11.881 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.014 11.048 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.508 9.426 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.407 10.196 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.940 10.988 2.541 1.00 0.00 H new ATOM 1423 N LYS A 96 4.173 10.039 7.960 1.00 0.00 N ATOM 1424 CA LYS A 96 4.593 10.829 9.111 1.00 0.00 C ATOM 1425 C LYS A 96 3.850 10.394 10.370 1.00 0.00 C ATOM 1426 O LYS A 96 3.299 11.223 11.093 1.00 0.00 O ATOM 1427 CB LYS A 96 4.350 12.317 8.851 1.00 0.00 C ATOM 1428 CG LYS A 96 5.155 12.870 7.687 1.00 0.00 C ATOM 1429 CD LYS A 96 5.168 14.390 7.691 1.00 0.00 C ATOM 1430 CE LYS A 96 3.959 14.959 6.964 1.00 0.00 C ATOM 1431 NZ LYS A 96 2.690 14.671 7.688 1.00 0.00 N ATOM 0 H LYS A 96 4.920 9.498 7.525 1.00 0.00 H new ATOM 0 HA LYS A 96 5.659 10.663 9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.289 12.475 8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.596 12.880 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.178 12.496 7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.733 12.511 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.180 14.752 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.081 14.748 7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.077 16.037 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.908 14.538 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.023 15.456 7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.273 13.791 7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.886 14.565 8.704 1.00 0.00 H new ATOM 1445 N GLU A 97 3.840 9.089 10.625 1.00 0.00 N ATOM 1446 CA GLU A 97 3.164 8.546 11.798 1.00 0.00 C ATOM 1447 C GLU A 97 1.678 8.895 11.780 1.00 0.00 C ATOM 1448 O GLU A 97 1.098 9.237 12.810 1.00 0.00 O ATOM 1449 CB GLU A 97 3.808 9.080 13.079 1.00 0.00 C ATOM 1450 CG GLU A 97 5.310 8.859 13.142 1.00 0.00 C ATOM 1451 CD GLU A 97 5.934 9.445 14.393 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.739 10.653 14.644 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.617 8.696 15.122 1.00 0.00 O ATOM 0 H GLU A 97 4.292 8.389 10.036 1.00 0.00 H new ATOM 0 HA GLU A 97 3.266 7.461 11.774 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.602 10.147 13.162 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.342 8.598 13.938 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.518 7.790 13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.776 9.306 12.264 1.00 0.00 H new ATOM 1460 N GLN A 98 1.070 8.807 10.601 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.347 9.115 10.448 1.00 0.00 C ATOM 1462 C GLN A 98 -0.975 8.258 9.354 1.00 0.00 C ATOM 1463 O GLN A 98 -0.473 8.200 8.231 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.537 10.597 10.124 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.132 11.525 11.258 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.398 12.984 10.942 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.500 13.351 10.533 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.612 13.824 11.130 1.00 0.00 N ATOM 0 H GLN A 98 1.536 8.525 9.739 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.845 8.891 11.391 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.047 10.844 9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.583 10.775 9.876 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.676 11.248 12.161 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.929 11.391 11.471 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.508 13.476 11.471 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.492 14.818 10.934 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.077 7.594 9.688 1.00 0.00 N ATOM 1478 CA HIS A 99 -2.774 6.740 8.733 1.00 0.00 C ATOM 1479 C HIS A 99 -3.505 7.577 7.688 1.00 0.00 C ATOM 1480 O HIS A 99 -4.204 8.534 8.022 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.766 5.831 9.460 1.00 0.00 C ATOM 1482 CG HIS A 99 -4.878 6.574 10.133 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.179 6.559 9.676 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -4.878 7.358 11.237 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -6.931 7.302 10.469 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -6.166 7.798 11.424 1.00 0.00 N ATOM 0 H HIS A 99 -2.506 7.631 10.612 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.032 6.124 8.225 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.191 5.126 8.745 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.229 5.244 10.205 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.024 7.594 11.855 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.991 7.474 10.355 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.480 8.409 12.178 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.337 7.211 6.421 1.00 0.00 N ATOM 1496 CA VAL A 100 -3.981 7.928 5.327 1.00 0.00 C ATOM 1497 C VAL A 100 -5.413 7.448 5.122 1.00 0.00 C ATOM 1498 O VAL A 100 -5.916 6.623 5.885 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.201 7.758 4.009 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.722 8.041 4.224 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.409 6.361 3.444 1.00 0.00 C ATOM 0 H VAL A 100 -2.761 6.422 6.127 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.991 8.983 5.602 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.582 8.478 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.187 7.916 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.595 9.063 4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.322 7.347 4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.851 6.258 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.055 5.622 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.470 6.201 3.251 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.065 7.971 4.088 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.441 7.595 3.784 1.00 0.00 C ATOM 1513 C GLN A 101 -7.500 6.206 3.157 1.00 0.00 C ATOM 1514 O GLN A 101 -6.626 5.828 2.379 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.075 8.620 2.842 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.437 8.200 2.314 1.00 0.00 C ATOM 1517 CD GLN A 101 -10.060 9.244 1.410 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -9.568 10.369 1.310 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -11.148 8.878 0.743 1.00 0.00 N ATOM 0 H GLN A 101 -5.663 8.655 3.447 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.001 7.575 4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.175 9.570 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.405 8.790 2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.337 7.263 1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.104 8.008 3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.522 7.936 0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.610 9.539 0.118 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.537 5.449 3.504 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.690 4.110 2.966 1.00 0.00 C ATOM 1530 C GLY A 102 -7.543 3.196 3.350 1.00 0.00 C ATOM 1531 O GLY A 102 -7.168 2.306 2.587 1.00 0.00 O ATOM 0 H GLY A 102 -9.273 5.739 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.627 3.683 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.759 4.164 1.880 1.00 0.00 H new ATOM 1535 N SER A 103 -6.984 3.417 4.535 1.00 0.00 N ATOM 1536 CA SER A 103 -5.868 2.610 5.016 1.00 0.00 C ATOM 1537 C SER A 103 -5.887 2.511 6.539 1.00 0.00 C ATOM 1538 O SER A 103 -6.230 3.460 7.244 1.00 0.00 O ATOM 1539 CB SER A 103 -4.540 3.208 4.549 1.00 0.00 C ATOM 1540 OG SER A 103 -3.442 2.480 5.071 1.00 0.00 O ATOM 0 H SER A 103 -7.285 4.148 5.180 1.00 0.00 H new ATOM 0 HA SER A 103 -5.972 1.607 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.499 3.204 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.474 4.249 4.866 1.00 0.00 H new ATOM 0 HG SER A 103 -2.752 3.104 5.378 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.509 1.334 7.058 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.098 0.197 6.229 1.00 0.00 C ATOM 1548 C PRO A 104 -6.266 -0.408 5.456 1.00 0.00 C ATOM 1549 O PRO A 104 -7.424 -0.066 5.694 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.553 -0.807 7.247 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.245 -0.468 8.522 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.453 1.022 8.496 1.00 0.00 C ATOM 0 HA PRO A 104 -4.374 0.488 5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.763 -1.832 6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.471 -0.720 7.349 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.197 -0.994 8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.645 -0.763 9.383 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.373 1.308 9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.638 1.550 8.990 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.953 -1.308 4.530 1.00 0.00 N ATOM 1561 CA PHE A 105 -6.977 -1.961 3.722 1.00 0.00 C ATOM 1562 C PHE A 105 -6.699 -3.456 3.596 1.00 0.00 C ATOM 1563 O PHE A 105 -5.547 -3.889 3.615 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.043 -1.324 2.333 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.739 -1.369 1.590 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -4.741 -0.446 1.858 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.510 -2.335 0.623 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -3.540 -0.485 1.175 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.311 -2.380 -0.063 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.324 -1.454 0.215 1.00 0.00 C ATOM 0 H PHE A 105 -4.999 -1.602 4.320 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.937 -1.829 4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.805 -1.834 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.359 -0.286 2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.903 0.313 2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.278 -3.062 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -2.771 0.242 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.146 -3.138 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.385 -1.488 -0.318 1.00 0.00 H new ATOM 1580 N THR A 106 -7.764 -4.241 3.468 1.00 0.00 N ATOM 1581 CA THR A 106 -7.637 -5.687 3.340 1.00 0.00 C ATOM 1582 C THR A 106 -7.340 -6.088 1.899 1.00 0.00 C ATOM 1583 O THR A 106 -7.748 -5.407 0.958 1.00 0.00 O ATOM 1584 CB THR A 106 -8.915 -6.408 3.809 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.489 -5.713 4.921 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.612 -7.845 4.204 1.00 0.00 C ATOM 0 H THR A 106 -8.725 -3.899 3.450 1.00 0.00 H new ATOM 0 HA THR A 106 -6.805 -5.988 3.977 1.00 0.00 H new ATOM 0 HB THR A 106 -9.625 -6.418 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.302 -6.176 5.212 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.530 -8.334 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.203 -8.379 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.886 -7.853 5.017 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.629 -7.199 1.733 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.280 -7.691 0.406 1.00 0.00 C ATOM 1596 C VAL A 107 -6.304 -9.215 0.362 1.00 0.00 C ATOM 1597 O VAL A 107 -5.592 -9.881 1.114 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.886 -7.198 -0.027 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.374 -8.012 -1.205 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.929 -5.717 -0.371 1.00 0.00 C ATOM 0 H VAL A 107 -6.284 -7.775 2.501 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.027 -7.298 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.196 -7.335 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.388 -7.649 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.305 -9.062 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.062 -7.909 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.936 -5.385 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.632 -5.553 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.250 -5.150 0.503 1.00 0.00 H new ATOM 1610 N THR A 108 -7.128 -9.763 -0.526 1.00 0.00 N ATOM 1611 CA THR A 108 -7.246 -11.208 -0.669 1.00 0.00 C ATOM 1612 C THR A 108 -6.313 -11.731 -1.756 1.00 0.00 C ATOM 1613 O THR A 108 -6.398 -11.318 -2.912 1.00 0.00 O ATOM 1614 CB THR A 108 -8.691 -11.623 -1.005 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.576 -11.205 0.040 1.00 0.00 O ATOM 1616 CG2 THR A 108 -8.792 -13.130 -1.190 1.00 0.00 C ATOM 0 H THR A 108 -7.724 -9.227 -1.157 1.00 0.00 H new ATOM 0 HA THR A 108 -6.964 -11.645 0.289 1.00 0.00 H new ATOM 0 HB THR A 108 -8.977 -11.138 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.493 -11.471 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.821 -13.399 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.139 -13.441 -2.005 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.488 -13.631 -0.271 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.424 -12.644 -1.377 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.476 -13.225 -2.320 1.00 0.00 C ATOM 1626 C VAL A 109 -4.910 -14.624 -2.743 1.00 0.00 C ATOM 1627 O VAL A 109 -4.841 -15.571 -1.958 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.060 -13.299 -1.719 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.060 -13.769 -2.764 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.653 -11.948 -1.149 1.00 0.00 C ATOM 0 H VAL A 109 -5.341 -12.997 -0.424 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.458 -12.573 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.066 -14.024 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.065 -13.815 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.345 -14.759 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.053 -13.070 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.650 -12.018 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.663 -11.201 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.355 -11.656 -0.368 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.356 -14.748 -3.988 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.802 -16.032 -4.516 1.00 0.00 C ATOM 1642 C ARG A 110 -4.623 -16.984 -4.698 1.00 0.00 C ATOM 1643 O ARG A 110 -3.465 -16.578 -4.604 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.524 -15.836 -5.851 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.635 -14.801 -5.796 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.591 -14.947 -6.969 1.00 0.00 C ATOM 1647 NE ARG A 110 -7.989 -14.507 -8.225 1.00 0.00 N ATOM 1648 CZ ARG A 110 -7.852 -13.230 -8.566 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -8.272 -12.273 -7.750 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -7.294 -12.909 -9.726 1.00 0.00 N ATOM 0 H ARG A 110 -5.418 -13.975 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.494 -16.471 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.798 -15.537 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.943 -16.790 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.186 -14.906 -4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.202 -13.801 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.897 -15.989 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.493 -14.366 -6.776 1.00 0.00 H new ATOM 0 HE ARG A 110 -7.656 -15.218 -8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.702 -12.516 -6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.165 -11.294 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.970 -13.643 -10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.189 -11.929 -9.987 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.928 -18.251 -4.958 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.894 -19.261 -5.151 1.00 0.00 C ATOM 1666 C ARG A 111 -3.376 -19.241 -6.586 1.00 0.00 C ATOM 1667 O ARG A 111 -4.138 -19.037 -7.531 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.438 -20.650 -4.813 1.00 0.00 C ATOM 1669 CG ARG A 111 -5.021 -21.383 -6.011 1.00 0.00 C ATOM 1670 CD ARG A 111 -6.318 -20.743 -6.479 1.00 0.00 C ATOM 1671 NE ARG A 111 -6.873 -21.421 -7.647 1.00 0.00 N ATOM 1672 CZ ARG A 111 -8.153 -21.354 -7.998 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -9.005 -20.642 -7.273 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -8.582 -21.999 -9.075 1.00 0.00 N ATOM 0 H ARG A 111 -5.882 -18.603 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.066 -19.030 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.636 -21.251 -4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.207 -20.553 -4.047 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.298 -21.381 -6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.202 -22.425 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -7.046 -20.764 -5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.139 -19.695 -6.719 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.243 -21.977 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.678 -20.145 -6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -9.987 -20.592 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -7.929 -22.547 -9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.565 -21.947 -9.343 1.00 0.00 H new