USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 899 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 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 TYR OH : rot -139:sc= -2.62! USER MOD Set 2.2: A 48 HIS : no HD1:sc= -2.59! C(o=-5.2!,f=-8.5!) USER MOD Set 3.1: A 44 CYS SG : rot 76:sc= -1.76! USER MOD Set 3.2: A 68 ASN : amide:sc= -4.65! C(o=-6.4!,f=-9.9!) USER MOD Set 4.1: A 21 GLN : amide:sc= -0.526 K(o=-0.1,f=-5.5!) USER MOD Set 4.2: A 50 TYR OH : rot -72:sc= 0.426 USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.00936 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -142:sc= 1.27 USER MOD Single : A 19 GLN : amide:sc= -0.0783 X(o=-0.078,f=-0.009) USER MOD Single : A 22 THR OG1 : rot -104:sc= 1.03 USER MOD Single : A 29 ASN : amide:sc= -0.622 X(o=-0.62,f=-0.43) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 170:sc= 0.467 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -90:sc= -0.227 USER MOD Single : A 38 LYS NZ :NH3+ -111:sc= 2.27 (180deg=-0.465) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0854 K(o=-0.085,f=-1.5!) USER MOD Single : A 64 ASN : amide:sc= -0.42 K(o=-0.42,f=-1.3) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.909 K(o=0.91,f=-0.15) USER MOD Single : A 70 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.12) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00476 USER MOD Single : A 89 LYS NZ :NH3+ 152:sc= -0.915 (180deg=-1.98) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -60:sc= 0.751 USER MOD Single : A 102 MET CE :methyl 156:sc= -2.65 (180deg=-4.31) USER MOD Single : A 104 MET CE :methyl 155:sc= -0.151 (180deg=-0.806) USER MOD Single : A 105 TYR OH : rot -100:sc= 0.18 USER MOD Single : A 107 THR OG1 : rot 98:sc= 1.14 USER MOD Single : A 108 GLN :FLIP amide:sc= -2.23! C(o=-2.9!,f=-2.2!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -161:sc= -0.743 (180deg=-0.961) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.735 -16.619 -8.486 1.00 0.00 N ATOM 2 CA GLY A 1 23.890 -17.362 -9.403 1.00 0.00 C ATOM 3 C GLY A 1 22.637 -16.597 -9.785 1.00 0.00 C ATOM 4 O GLY A 1 22.056 -15.892 -8.960 1.00 0.00 O ATOM 0 H1 GLY A 1 25.229 -17.282 -7.854 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.434 -16.069 -9.026 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.149 -15.973 -7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.456 -17.599 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.608 -18.310 -8.945 1.00 0.00 H new ATOM 8 N SER A 2 22.221 -16.736 -11.040 1.00 0.00 N ATOM 9 CA SER A 2 21.033 -16.048 -11.531 1.00 0.00 C ATOM 10 C SER A 2 20.197 -16.971 -12.413 1.00 0.00 C ATOM 11 O SER A 2 20.724 -17.882 -13.051 1.00 0.00 O ATOM 12 CB SER A 2 21.430 -14.796 -12.316 1.00 0.00 C ATOM 13 OG SER A 2 20.368 -13.859 -12.353 1.00 0.00 O ATOM 0 H SER A 2 22.689 -17.318 -11.735 1.00 0.00 H new ATOM 0 HA SER A 2 20.432 -15.753 -10.671 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.307 -14.339 -11.858 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.710 -15.074 -13.332 1.00 0.00 H new ATOM 0 HG SER A 2 20.648 -13.068 -12.859 1.00 0.00 H new ATOM 19 N SER A 3 18.891 -16.727 -12.443 1.00 0.00 N ATOM 20 CA SER A 3 17.980 -17.538 -13.242 1.00 0.00 C ATOM 21 C SER A 3 16.624 -16.853 -13.383 1.00 0.00 C ATOM 22 O SER A 3 16.120 -16.249 -12.438 1.00 0.00 O ATOM 23 CB SER A 3 17.803 -18.919 -12.609 1.00 0.00 C ATOM 24 OG SER A 3 16.963 -19.740 -13.402 1.00 0.00 O ATOM 0 H SER A 3 18.440 -15.974 -11.923 1.00 0.00 H new ATOM 0 HA SER A 3 18.414 -17.655 -14.235 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.776 -19.396 -12.491 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.377 -18.813 -11.611 1.00 0.00 H new ATOM 0 HG SER A 3 16.867 -20.618 -12.977 1.00 0.00 H new ATOM 30 N GLY A 4 16.038 -16.952 -14.573 1.00 0.00 N ATOM 31 CA GLY A 4 14.747 -16.337 -14.817 1.00 0.00 C ATOM 32 C GLY A 4 14.005 -16.986 -15.969 1.00 0.00 C ATOM 33 O GLY A 4 14.474 -16.968 -17.107 1.00 0.00 O ATOM 0 H GLY A 4 16.435 -17.447 -15.372 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.140 -16.403 -13.914 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.887 -15.277 -15.030 1.00 0.00 H new ATOM 37 N SER A 5 12.844 -17.562 -15.674 1.00 0.00 N ATOM 38 CA SER A 5 12.038 -18.224 -16.693 1.00 0.00 C ATOM 39 C SER A 5 10.920 -17.309 -17.181 1.00 0.00 C ATOM 40 O SER A 5 10.719 -16.217 -16.649 1.00 0.00 O ATOM 41 CB SER A 5 11.446 -19.523 -16.141 1.00 0.00 C ATOM 42 OG SER A 5 11.058 -20.393 -17.190 1.00 0.00 O ATOM 0 H SER A 5 12.440 -17.584 -14.737 1.00 0.00 H new ATOM 0 HA SER A 5 12.686 -18.459 -17.538 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.179 -20.019 -15.505 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.583 -19.296 -15.515 1.00 0.00 H new ATOM 0 HG SER A 5 10.685 -21.216 -16.811 1.00 0.00 H new ATOM 48 N SER A 6 10.195 -17.762 -18.199 1.00 0.00 N ATOM 49 CA SER A 6 9.098 -16.983 -18.763 1.00 0.00 C ATOM 50 C SER A 6 7.753 -17.495 -18.259 1.00 0.00 C ATOM 51 O SER A 6 7.220 -18.479 -18.769 1.00 0.00 O ATOM 52 CB SER A 6 9.138 -17.039 -20.291 1.00 0.00 C ATOM 53 OG SER A 6 10.405 -16.637 -20.784 1.00 0.00 O ATOM 0 H SER A 6 10.347 -18.664 -18.650 1.00 0.00 H new ATOM 0 HA SER A 6 9.217 -15.948 -18.441 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.919 -18.053 -20.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.363 -16.392 -20.702 1.00 0.00 H new ATOM 0 HG SER A 6 10.405 -16.683 -21.763 1.00 0.00 H new ATOM 59 N GLY A 7 7.208 -16.817 -17.252 1.00 0.00 N ATOM 60 CA GLY A 7 5.929 -17.217 -16.695 1.00 0.00 C ATOM 61 C GLY A 7 5.639 -16.543 -15.368 1.00 0.00 C ATOM 62 O GLY A 7 5.498 -15.322 -15.302 1.00 0.00 O ATOM 0 H GLY A 7 7.630 -15.999 -16.813 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.136 -16.975 -17.403 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.917 -18.299 -16.560 1.00 0.00 H new ATOM 66 N VAL A 8 5.547 -17.340 -14.309 1.00 0.00 N ATOM 67 CA VAL A 8 5.270 -16.814 -12.978 1.00 0.00 C ATOM 68 C VAL A 8 6.553 -16.369 -12.285 1.00 0.00 C ATOM 69 O VAL A 8 7.640 -16.855 -12.598 1.00 0.00 O ATOM 70 CB VAL A 8 4.559 -17.859 -12.097 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.185 -18.187 -12.661 1.00 0.00 C ATOM 72 CG2 VAL A 8 5.407 -19.115 -11.973 1.00 0.00 C ATOM 0 H VAL A 8 5.660 -18.353 -14.347 1.00 0.00 H new ATOM 0 HA VAL A 8 4.614 -15.954 -13.108 1.00 0.00 H new ATOM 0 HB VAL A 8 4.425 -17.438 -11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.698 -18.927 -12.026 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.579 -17.281 -12.693 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.292 -18.588 -13.669 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.890 -19.843 -11.347 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.574 -19.541 -12.963 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.366 -18.863 -11.520 1.00 0.00 H new ATOM 82 N ALA A 9 6.419 -15.444 -11.340 1.00 0.00 N ATOM 83 CA ALA A 9 7.568 -14.936 -10.601 1.00 0.00 C ATOM 84 C ALA A 9 7.146 -14.383 -9.244 1.00 0.00 C ATOM 85 O ALA A 9 5.984 -14.028 -9.041 1.00 0.00 O ATOM 86 CB ALA A 9 8.285 -13.865 -11.410 1.00 0.00 C ATOM 0 H ALA A 9 5.527 -15.031 -11.068 1.00 0.00 H new ATOM 0 HA ALA A 9 8.254 -15.765 -10.429 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.141 -13.495 -10.846 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.629 -14.290 -12.353 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.600 -13.042 -11.612 1.00 0.00 H new ATOM 92 N ARG A 10 8.096 -14.312 -8.317 1.00 0.00 N ATOM 93 CA ARG A 10 7.822 -13.804 -6.979 1.00 0.00 C ATOM 94 C ARG A 10 8.698 -12.595 -6.666 1.00 0.00 C ATOM 95 O ARG A 10 9.569 -12.226 -7.454 1.00 0.00 O ATOM 96 CB ARG A 10 8.055 -14.899 -5.936 1.00 0.00 C ATOM 97 CG ARG A 10 7.010 -16.003 -5.969 1.00 0.00 C ATOM 98 CD ARG A 10 7.176 -16.962 -4.800 1.00 0.00 C ATOM 99 NE ARG A 10 6.655 -18.292 -5.104 1.00 0.00 N ATOM 100 CZ ARG A 10 7.246 -19.139 -5.939 1.00 0.00 C ATOM 101 NH1 ARG A 10 8.372 -18.797 -6.550 1.00 0.00 N ATOM 102 NH2 ARG A 10 6.711 -20.332 -6.165 1.00 0.00 N ATOM 0 H ARG A 10 9.063 -14.600 -8.469 1.00 0.00 H new ATOM 0 HA ARG A 10 6.778 -13.494 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.040 -15.338 -6.096 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.064 -14.448 -4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.013 -15.563 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.090 -16.553 -6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.232 -17.037 -4.540 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.661 -16.562 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 10 5.790 -18.586 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.787 -17.881 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.823 -19.450 -7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.845 -20.599 -5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.166 -20.982 -6.807 1.00 0.00 H new ATOM 116 N SER A 11 8.461 -11.981 -5.511 1.00 0.00 N ATOM 117 CA SER A 11 9.226 -10.811 -5.096 1.00 0.00 C ATOM 118 C SER A 11 9.273 -9.770 -6.210 1.00 0.00 C ATOM 119 O SER A 11 10.347 -9.318 -6.607 1.00 0.00 O ATOM 120 CB SER A 11 10.647 -11.218 -4.701 1.00 0.00 C ATOM 121 OG SER A 11 10.709 -11.598 -3.338 1.00 0.00 O ATOM 0 H SER A 11 7.745 -12.274 -4.846 1.00 0.00 H new ATOM 0 HA SER A 11 8.729 -10.370 -4.232 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.979 -12.046 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.330 -10.388 -4.882 1.00 0.00 H new ATOM 0 HG SER A 11 11.627 -11.855 -3.112 1.00 0.00 H new ATOM 127 N SER A 12 8.100 -9.394 -6.710 1.00 0.00 N ATOM 128 CA SER A 12 8.006 -8.409 -7.781 1.00 0.00 C ATOM 129 C SER A 12 8.814 -7.160 -7.443 1.00 0.00 C ATOM 130 O SER A 12 8.937 -6.782 -6.278 1.00 0.00 O ATOM 131 CB SER A 12 6.544 -8.033 -8.030 1.00 0.00 C ATOM 132 OG SER A 12 6.364 -7.527 -9.341 1.00 0.00 O ATOM 0 H SER A 12 7.202 -9.757 -6.390 1.00 0.00 H new ATOM 0 HA SER A 12 8.419 -8.853 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.910 -8.908 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.228 -7.286 -7.302 1.00 0.00 H new ATOM 0 HG SER A 12 5.421 -7.296 -9.476 1.00 0.00 H new ATOM 138 N LYS A 13 9.365 -6.523 -8.471 1.00 0.00 N ATOM 139 CA LYS A 13 10.161 -5.315 -8.286 1.00 0.00 C ATOM 140 C LYS A 13 9.465 -4.345 -7.337 1.00 0.00 C ATOM 141 O LYS A 13 10.098 -3.756 -6.460 1.00 0.00 O ATOM 142 CB LYS A 13 10.413 -4.635 -9.633 1.00 0.00 C ATOM 143 CG LYS A 13 11.649 -3.752 -9.646 1.00 0.00 C ATOM 144 CD LYS A 13 12.922 -4.575 -9.754 1.00 0.00 C ATOM 145 CE LYS A 13 14.162 -3.701 -9.647 1.00 0.00 C ATOM 146 NZ LYS A 13 14.494 -3.049 -10.944 1.00 0.00 N ATOM 0 H LYS A 13 9.275 -6.823 -9.442 1.00 0.00 H new ATOM 0 HA LYS A 13 11.116 -5.603 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.515 -5.400 -10.403 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.543 -4.032 -9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.592 -3.057 -10.484 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.678 -3.153 -8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.937 -5.328 -8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.932 -5.108 -10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.003 -2.937 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.006 -4.307 -9.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.345 -2.462 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.671 -3.778 -11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.699 -2.451 -11.245 1.00 0.00 H new ATOM 160 N LEU A 14 8.158 -4.184 -7.516 1.00 0.00 N ATOM 161 CA LEU A 14 7.375 -3.286 -6.674 1.00 0.00 C ATOM 162 C LEU A 14 7.300 -3.808 -5.243 1.00 0.00 C ATOM 163 O LEU A 14 7.655 -3.107 -4.295 1.00 0.00 O ATOM 164 CB LEU A 14 5.966 -3.120 -7.244 1.00 0.00 C ATOM 165 CG LEU A 14 4.997 -2.283 -6.408 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.450 -0.832 -6.359 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.585 -2.385 -6.965 1.00 0.00 C ATOM 0 H LEU A 14 7.618 -4.664 -8.237 1.00 0.00 H new ATOM 0 HA LEU A 14 7.871 -2.315 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.047 -2.667 -8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.533 -4.111 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 14 4.993 -2.675 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.748 -0.252 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.442 -0.776 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.485 -0.427 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.910 -1.783 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.572 -2.020 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.260 -3.425 -6.946 1.00 0.00 H new ATOM 179 N LEU A 15 6.837 -5.044 -5.094 1.00 0.00 N ATOM 180 CA LEU A 15 6.716 -5.663 -3.779 1.00 0.00 C ATOM 181 C LEU A 15 7.924 -5.330 -2.908 1.00 0.00 C ATOM 182 O LEU A 15 7.778 -4.885 -1.770 1.00 0.00 O ATOM 183 CB LEU A 15 6.576 -7.180 -3.917 1.00 0.00 C ATOM 184 CG LEU A 15 6.648 -7.982 -2.618 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.434 -7.698 -1.747 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.756 -9.471 -2.915 1.00 0.00 C ATOM 0 H LEU A 15 6.539 -5.638 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 15 5.822 -5.265 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.623 -7.394 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.359 -7.538 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 15 7.541 -7.675 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.503 -8.278 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.400 -6.636 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.527 -7.977 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.806 -10.026 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.882 -9.793 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.657 -9.661 -3.498 1.00 0.00 H new ATOM 198 N GLY A 16 9.117 -5.547 -3.452 1.00 0.00 N ATOM 199 CA GLY A 16 10.333 -5.263 -2.712 1.00 0.00 C ATOM 200 C GLY A 16 10.296 -3.907 -2.036 1.00 0.00 C ATOM 201 O GLY A 16 10.581 -3.794 -0.844 1.00 0.00 O ATOM 0 H GLY A 16 9.264 -5.914 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.486 -6.037 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.185 -5.305 -3.390 1.00 0.00 H new ATOM 205 N TRP A 17 9.946 -2.877 -2.797 1.00 0.00 N ATOM 206 CA TRP A 17 9.875 -1.522 -2.264 1.00 0.00 C ATOM 207 C TRP A 17 8.955 -1.462 -1.049 1.00 0.00 C ATOM 208 O TRP A 17 9.278 -0.826 -0.046 1.00 0.00 O ATOM 209 CB TRP A 17 9.383 -0.553 -3.340 1.00 0.00 C ATOM 210 CG TRP A 17 9.469 0.886 -2.929 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.588 1.668 -2.913 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.393 1.713 -2.473 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.273 2.931 -2.474 1.00 0.00 N ATOM 214 CE2 TRP A 17 8.932 2.985 -2.199 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.026 1.503 -2.271 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.152 4.039 -1.733 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.253 2.551 -1.809 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.817 3.806 -1.545 1.00 0.00 C ATOM 0 H TRP A 17 9.707 -2.954 -3.786 1.00 0.00 H new ATOM 0 HA TRP A 17 10.877 -1.229 -1.952 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.970 -0.700 -4.247 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.349 -0.791 -3.588 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.576 1.342 -3.203 1.00 0.00 H new ATOM 0 HE1 TRP A 17 10.931 3.703 -2.370 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.582 0.539 -2.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.585 5.007 -1.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.196 2.400 -1.649 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.186 4.605 -1.186 1.00 0.00 H new ATOM 229 N CYS A 18 7.810 -2.128 -1.147 1.00 0.00 N ATOM 230 CA CYS A 18 6.843 -2.150 -0.055 1.00 0.00 C ATOM 231 C CYS A 18 7.423 -2.847 1.171 1.00 0.00 C ATOM 232 O CYS A 18 7.209 -2.413 2.303 1.00 0.00 O ATOM 233 CB CYS A 18 5.560 -2.855 -0.497 1.00 0.00 C ATOM 234 SG CYS A 18 4.770 -2.111 -1.943 1.00 0.00 S ATOM 0 H CYS A 18 7.528 -2.660 -1.971 1.00 0.00 H new ATOM 0 HA CYS A 18 6.610 -1.119 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.789 -3.898 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.852 -2.852 0.332 1.00 0.00 H new ATOM 0 HG CYS A 18 3.479 -2.145 -1.798 1.00 0.00 H new ATOM 240 N GLN A 19 8.158 -3.930 0.938 1.00 0.00 N ATOM 241 CA GLN A 19 8.766 -4.688 2.025 1.00 0.00 C ATOM 242 C GLN A 19 9.834 -3.861 2.734 1.00 0.00 C ATOM 243 O GLN A 19 10.077 -4.036 3.928 1.00 0.00 O ATOM 244 CB GLN A 19 9.380 -5.984 1.490 1.00 0.00 C ATOM 245 CG GLN A 19 8.395 -6.852 0.725 1.00 0.00 C ATOM 246 CD GLN A 19 8.728 -8.328 0.812 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.847 -8.743 0.509 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.756 -9.132 1.228 1.00 0.00 N ATOM 0 H GLN A 19 8.347 -4.302 0.007 1.00 0.00 H new ATOM 0 HA GLN A 19 7.985 -4.934 2.744 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.217 -5.737 0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.784 -6.557 2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.391 -6.686 1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.384 -6.547 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.843 -8.746 1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.923 -10.135 1.306 1.00 0.00 H new ATOM 257 N ARG A 20 10.468 -2.961 1.991 1.00 0.00 N ATOM 258 CA ARG A 20 11.511 -2.108 2.548 1.00 0.00 C ATOM 259 C ARG A 20 10.908 -0.869 3.204 1.00 0.00 C ATOM 260 O ARG A 20 11.351 -0.441 4.269 1.00 0.00 O ATOM 261 CB ARG A 20 12.497 -1.690 1.455 1.00 0.00 C ATOM 262 CG ARG A 20 13.289 -2.850 0.874 1.00 0.00 C ATOM 263 CD ARG A 20 14.545 -2.368 0.166 1.00 0.00 C ATOM 264 NE ARG A 20 15.344 -3.477 -0.347 1.00 0.00 N ATOM 265 CZ ARG A 20 16.211 -3.358 -1.346 1.00 0.00 C ATOM 266 NH1 ARG A 20 16.390 -2.184 -1.936 1.00 0.00 N ATOM 267 NH2 ARG A 20 16.902 -4.414 -1.757 1.00 0.00 N ATOM 0 H ARG A 20 10.278 -2.803 1.001 1.00 0.00 H new ATOM 0 HA ARG A 20 12.043 -2.679 3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.949 -1.197 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.191 -0.956 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.562 -3.541 1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.664 -3.403 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.267 -1.710 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.146 -1.777 0.857 1.00 0.00 H new ATOM 0 HE ARG A 20 15.230 -4.394 0.086 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.861 -1.370 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.056 -2.095 -2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.768 -5.319 -1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.567 -4.321 -2.524 1.00 0.00 H new ATOM 281 N GLN A 21 9.895 -0.298 2.559 1.00 0.00 N ATOM 282 CA GLN A 21 9.233 0.892 3.079 1.00 0.00 C ATOM 283 C GLN A 21 8.374 0.550 4.293 1.00 0.00 C ATOM 284 O GLN A 21 8.468 1.199 5.335 1.00 0.00 O ATOM 285 CB GLN A 21 8.368 1.535 1.993 1.00 0.00 C ATOM 286 CG GLN A 21 9.172 2.130 0.849 1.00 0.00 C ATOM 287 CD GLN A 21 10.523 2.654 1.295 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.608 3.552 2.133 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.590 2.094 0.736 1.00 0.00 N ATOM 0 H GLN A 21 9.516 -0.640 1.676 1.00 0.00 H new ATOM 0 HA GLN A 21 10.002 1.600 3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.684 0.786 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.757 2.318 2.443 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.317 1.372 0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.604 2.942 0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.474 1.352 0.045 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.525 2.406 0.997 1.00 0.00 H new ATOM 298 N THR A 22 7.538 -0.473 4.151 1.00 0.00 N ATOM 299 CA THR A 22 6.662 -0.900 5.235 1.00 0.00 C ATOM 300 C THR A 22 7.450 -1.604 6.334 1.00 0.00 C ATOM 301 O THR A 22 6.876 -2.086 7.311 1.00 0.00 O ATOM 302 CB THR A 22 5.557 -1.845 4.725 1.00 0.00 C ATOM 303 OG1 THR A 22 6.120 -3.114 4.377 1.00 0.00 O ATOM 304 CG2 THR A 22 4.851 -1.249 3.517 1.00 0.00 C ATOM 0 H THR A 22 7.449 -1.022 3.296 1.00 0.00 H new ATOM 0 HA THR A 22 6.201 -0.000 5.642 1.00 0.00 H new ATOM 0 HB THR A 22 4.827 -1.979 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.184 -3.187 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.075 -1.934 3.175 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.398 -0.297 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.573 -1.089 2.716 1.00 0.00 H new ATOM 312 N ASP A 23 8.766 -1.659 6.168 1.00 0.00 N ATOM 313 CA ASP A 23 9.634 -2.303 7.148 1.00 0.00 C ATOM 314 C ASP A 23 9.693 -1.491 8.438 1.00 0.00 C ATOM 315 O ASP A 23 10.062 -0.317 8.428 1.00 0.00 O ATOM 316 CB ASP A 23 11.041 -2.480 6.576 1.00 0.00 C ATOM 317 CG ASP A 23 11.996 -3.110 7.571 1.00 0.00 C ATOM 318 OD1 ASP A 23 12.212 -2.513 8.646 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.525 -4.202 7.275 1.00 0.00 O ATOM 0 H ASP A 23 9.256 -1.266 5.364 1.00 0.00 H new ATOM 0 HA ASP A 23 9.218 -3.284 7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.991 -3.101 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.430 -1.509 6.268 1.00 0.00 H new ATOM 324 N GLY A 24 9.327 -2.125 9.548 1.00 0.00 N ATOM 325 CA GLY A 24 9.345 -1.446 10.830 1.00 0.00 C ATOM 326 C GLY A 24 8.000 -1.487 11.527 1.00 0.00 C ATOM 327 O GLY A 24 7.930 -1.622 12.749 1.00 0.00 O ATOM 0 H GLY A 24 9.018 -3.097 9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.097 -1.906 11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.643 -0.408 10.684 1.00 0.00 H new ATOM 331 N TYR A 25 6.929 -1.369 10.750 1.00 0.00 N ATOM 332 CA TYR A 25 5.579 -1.390 11.300 1.00 0.00 C ATOM 333 C TYR A 25 5.302 -2.709 12.014 1.00 0.00 C ATOM 334 O TYR A 25 6.133 -3.617 12.009 1.00 0.00 O ATOM 335 CB TYR A 25 4.550 -1.172 10.190 1.00 0.00 C ATOM 336 CG TYR A 25 4.476 0.258 9.704 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.496 0.805 8.936 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.386 1.062 10.014 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.433 2.111 8.491 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.313 2.369 9.572 1.00 0.00 C ATOM 341 CZ TYR A 25 4.339 2.889 8.811 1.00 0.00 C ATOM 342 OH TYR A 25 4.272 4.190 8.369 1.00 0.00 O ATOM 0 H TYR A 25 6.970 -1.258 9.737 1.00 0.00 H new ATOM 0 HA TYR A 25 5.497 -0.581 12.026 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.793 -1.821 9.348 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.568 -1.475 10.552 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.353 0.199 8.682 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.582 0.658 10.611 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.235 2.521 7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.458 2.980 9.821 1.00 0.00 H new ATOM 0 HH TYR A 25 3.921 4.761 9.084 1.00 0.00 H new ATOM 352 N ALA A 26 4.127 -2.807 12.628 1.00 0.00 N ATOM 353 CA ALA A 26 3.738 -4.015 13.344 1.00 0.00 C ATOM 354 C ALA A 26 2.485 -4.635 12.735 1.00 0.00 C ATOM 355 O ALA A 26 1.487 -3.950 12.513 1.00 0.00 O ATOM 356 CB ALA A 26 3.513 -3.706 14.817 1.00 0.00 C ATOM 0 H ALA A 26 3.428 -2.064 12.644 1.00 0.00 H new ATOM 0 HA ALA A 26 4.549 -4.737 13.255 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.223 -4.617 15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.433 -3.316 15.252 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.721 -2.963 14.916 1.00 0.00 H new ATOM 362 N GLY A 27 2.544 -5.936 12.467 1.00 0.00 N ATOM 363 CA GLY A 27 1.407 -6.626 11.885 1.00 0.00 C ATOM 364 C GLY A 27 1.406 -6.566 10.370 1.00 0.00 C ATOM 365 O GLY A 27 0.949 -7.495 9.705 1.00 0.00 O ATOM 0 H GLY A 27 3.358 -6.524 12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.416 -7.668 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.485 -6.185 12.264 1.00 0.00 H new ATOM 369 N VAL A 28 1.917 -5.467 9.822 1.00 0.00 N ATOM 370 CA VAL A 28 1.973 -5.289 8.376 1.00 0.00 C ATOM 371 C VAL A 28 2.840 -6.360 7.723 1.00 0.00 C ATOM 372 O VAL A 28 2.339 -7.231 7.014 1.00 0.00 O ATOM 373 CB VAL A 28 2.524 -3.900 8.003 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.658 -3.766 6.494 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.632 -2.804 8.567 1.00 0.00 C ATOM 0 H VAL A 28 2.298 -4.687 10.358 1.00 0.00 H new ATOM 0 HA VAL A 28 0.951 -5.378 8.006 1.00 0.00 H new ATOM 0 HB VAL A 28 3.516 -3.792 8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.049 -2.778 6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.341 -4.529 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.681 -3.895 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.036 -1.829 8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.627 -2.907 8.159 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.593 -2.889 9.653 1.00 0.00 H new ATOM 385 N ASN A 29 4.144 -6.289 7.969 1.00 0.00 N ATOM 386 CA ASN A 29 5.082 -7.252 7.405 1.00 0.00 C ATOM 387 C ASN A 29 4.644 -7.684 6.008 1.00 0.00 C ATOM 388 O ASN A 29 4.531 -8.875 5.722 1.00 0.00 O ATOM 389 CB ASN A 29 5.198 -8.476 8.316 1.00 0.00 C ATOM 390 CG ASN A 29 6.237 -9.465 7.826 1.00 0.00 C ATOM 391 OD1 ASN A 29 7.429 -9.161 7.785 1.00 0.00 O ATOM 392 ND2 ASN A 29 5.789 -10.658 7.451 1.00 0.00 N ATOM 0 H ASN A 29 4.575 -5.574 8.555 1.00 0.00 H new ATOM 0 HA ASN A 29 6.057 -6.770 7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.456 -8.152 9.324 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.229 -8.972 8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.442 -11.365 7.113 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.792 -10.867 7.502 1.00 0.00 H new ATOM 399 N VAL A 30 4.401 -6.705 5.142 1.00 0.00 N ATOM 400 CA VAL A 30 3.978 -6.983 3.775 1.00 0.00 C ATOM 401 C VAL A 30 4.711 -8.193 3.207 1.00 0.00 C ATOM 402 O VAL A 30 5.941 -8.253 3.225 1.00 0.00 O ATOM 403 CB VAL A 30 4.221 -5.771 2.855 1.00 0.00 C ATOM 404 CG1 VAL A 30 4.070 -6.170 1.395 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.271 -4.636 3.207 1.00 0.00 C ATOM 0 H VAL A 30 4.490 -5.713 5.363 1.00 0.00 H new ATOM 0 HA VAL A 30 2.909 -7.194 3.812 1.00 0.00 H new ATOM 0 HB VAL A 30 5.242 -5.420 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.245 -5.301 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.795 -6.948 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.062 -6.547 1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.457 -3.788 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.241 -4.972 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.433 -4.333 4.241 1.00 0.00 H new ATOM 415 N THR A 31 3.947 -9.158 2.703 1.00 0.00 N ATOM 416 CA THR A 31 4.524 -10.368 2.130 1.00 0.00 C ATOM 417 C THR A 31 3.931 -10.662 0.757 1.00 0.00 C ATOM 418 O THR A 31 4.635 -11.106 -0.151 1.00 0.00 O ATOM 419 CB THR A 31 4.297 -11.585 3.046 1.00 0.00 C ATOM 420 OG1 THR A 31 3.078 -11.427 3.780 1.00 0.00 O ATOM 421 CG2 THR A 31 5.459 -11.758 4.014 1.00 0.00 C ATOM 0 H THR A 31 2.928 -9.125 2.680 1.00 0.00 H new ATOM 0 HA THR A 31 5.595 -10.192 2.030 1.00 0.00 H new ATOM 0 HB THR A 31 4.230 -12.475 2.420 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.941 -12.206 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.276 -12.624 4.651 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.381 -11.909 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.553 -10.866 4.633 1.00 0.00 H new ATOM 429 N ASP A 32 2.635 -10.411 0.611 1.00 0.00 N ATOM 430 CA ASP A 32 1.948 -10.648 -0.654 1.00 0.00 C ATOM 431 C ASP A 32 1.665 -9.333 -1.373 1.00 0.00 C ATOM 432 O ASP A 32 2.072 -8.263 -0.917 1.00 0.00 O ATOM 433 CB ASP A 32 0.641 -11.405 -0.415 1.00 0.00 C ATOM 434 CG ASP A 32 0.868 -12.771 0.204 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.785 -13.485 -0.253 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.129 -13.125 1.146 1.00 0.00 O ATOM 0 H ASP A 32 2.039 -10.044 1.352 1.00 0.00 H new ATOM 0 HA ASP A 32 2.599 -11.253 -1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.003 -10.816 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.114 -11.521 -1.362 1.00 0.00 H new ATOM 441 N LEU A 33 0.965 -9.419 -2.498 1.00 0.00 N ATOM 442 CA LEU A 33 0.627 -8.235 -3.282 1.00 0.00 C ATOM 443 C LEU A 33 -0.879 -8.136 -3.497 1.00 0.00 C ATOM 444 O LEU A 33 -1.360 -7.255 -4.210 1.00 0.00 O ATOM 445 CB LEU A 33 1.345 -8.271 -4.632 1.00 0.00 C ATOM 446 CG LEU A 33 2.844 -7.970 -4.604 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.469 -8.242 -5.963 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.091 -6.530 -4.179 1.00 0.00 C ATOM 0 H LEU A 33 0.620 -10.296 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 33 0.955 -7.356 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.201 -9.258 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.863 -7.554 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 33 3.314 -8.629 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.536 -8.022 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.324 -9.290 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.996 -7.610 -6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.163 -6.334 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.608 -5.854 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.679 -6.369 -3.183 1.00 0.00 H new ATOM 460 N THR A 34 -1.622 -9.046 -2.873 1.00 0.00 N ATOM 461 CA THR A 34 -3.074 -9.061 -2.995 1.00 0.00 C ATOM 462 C THR A 34 -3.742 -8.871 -1.638 1.00 0.00 C ATOM 463 O THR A 34 -4.256 -7.795 -1.334 1.00 0.00 O ATOM 464 CB THR A 34 -3.572 -10.378 -3.619 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.977 -11.494 -2.948 1.00 0.00 O ATOM 466 CG2 THR A 34 -3.238 -10.434 -5.102 1.00 0.00 C ATOM 0 H THR A 34 -1.241 -9.782 -2.278 1.00 0.00 H new ATOM 0 HA THR A 34 -3.344 -8.232 -3.649 1.00 0.00 H new ATOM 0 HB THR A 34 -4.655 -10.422 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.412 -12.322 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.599 -11.373 -5.521 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.717 -9.600 -5.615 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.158 -10.369 -5.234 1.00 0.00 H new ATOM 474 N MET A 35 -3.729 -9.922 -0.825 1.00 0.00 N ATOM 475 CA MET A 35 -4.333 -9.869 0.502 1.00 0.00 C ATOM 476 C MET A 35 -3.505 -8.997 1.441 1.00 0.00 C ATOM 477 O MET A 35 -4.036 -8.400 2.377 1.00 0.00 O ATOM 478 CB MET A 35 -4.466 -11.278 1.082 1.00 0.00 C ATOM 479 CG MET A 35 -5.406 -12.174 0.291 1.00 0.00 C ATOM 480 SD MET A 35 -5.124 -13.927 0.607 1.00 0.00 S ATOM 481 CE MET A 35 -5.676 -14.057 2.306 1.00 0.00 C ATOM 0 H MET A 35 -3.307 -10.820 -1.061 1.00 0.00 H new ATOM 0 HA MET A 35 -5.325 -9.429 0.405 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.480 -11.742 1.119 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.823 -11.207 2.109 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.437 -11.925 0.542 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.281 -11.976 -0.773 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.564 -15.086 2.647 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.076 -13.399 2.935 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.724 -13.765 2.371 1.00 0.00 H new ATOM 491 N SER A 36 -2.203 -8.928 1.184 1.00 0.00 N ATOM 492 CA SER A 36 -1.302 -8.131 2.009 1.00 0.00 C ATOM 493 C SER A 36 -1.876 -6.739 2.252 1.00 0.00 C ATOM 494 O SER A 36 -1.535 -6.078 3.233 1.00 0.00 O ATOM 495 CB SER A 36 0.070 -8.020 1.341 1.00 0.00 C ATOM 496 OG SER A 36 1.025 -7.465 2.229 1.00 0.00 O ATOM 0 H SER A 36 -1.748 -9.414 0.411 1.00 0.00 H new ATOM 0 HA SER A 36 -1.191 -8.632 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.401 -9.006 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.006 -7.399 0.448 1.00 0.00 H new ATOM 0 HG SER A 36 1.032 -6.490 2.134 1.00 0.00 H new ATOM 502 N TRP A 37 -2.749 -6.301 1.352 1.00 0.00 N ATOM 503 CA TRP A 37 -3.371 -4.987 1.468 1.00 0.00 C ATOM 504 C TRP A 37 -4.865 -5.114 1.744 1.00 0.00 C ATOM 505 O TRP A 37 -5.525 -4.141 2.110 1.00 0.00 O ATOM 506 CB TRP A 37 -3.144 -4.177 0.190 1.00 0.00 C ATOM 507 CG TRP A 37 -1.748 -4.290 -0.343 1.00 0.00 C ATOM 508 CD1 TRP A 37 -1.161 -5.402 -0.877 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.763 -3.251 -0.393 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.129 -5.117 -1.255 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.397 -3.805 -0.970 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.749 -1.908 -0.009 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.557 -3.060 -1.169 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.402 -1.171 -0.207 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.542 -1.747 -0.783 1.00 0.00 C ATOM 0 H TRP A 37 -3.042 -6.836 0.534 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.908 -4.467 2.307 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.845 -4.512 -0.574 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.366 -3.128 0.388 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.640 -6.364 -0.986 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.781 -5.776 -1.679 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.623 -1.454 0.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.437 -3.503 -1.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.424 -0.132 0.087 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.426 -1.143 -0.925 1.00 0.00 H new ATOM 526 N LYS A 38 -5.395 -6.320 1.567 1.00 0.00 N ATOM 527 CA LYS A 38 -6.811 -6.576 1.799 1.00 0.00 C ATOM 528 C LYS A 38 -7.260 -5.985 3.131 1.00 0.00 C ATOM 529 O LYS A 38 -8.407 -5.563 3.279 1.00 0.00 O ATOM 530 CB LYS A 38 -7.089 -8.081 1.776 1.00 0.00 C ATOM 531 CG LYS A 38 -7.510 -8.602 0.413 1.00 0.00 C ATOM 532 CD LYS A 38 -8.983 -8.342 0.147 1.00 0.00 C ATOM 533 CE LYS A 38 -9.864 -9.373 0.837 1.00 0.00 C ATOM 534 NZ LYS A 38 -11.246 -8.863 1.056 1.00 0.00 N ATOM 0 H LYS A 38 -4.864 -7.136 1.263 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.377 -6.096 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.193 -8.612 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.872 -8.308 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.910 -8.124 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.312 -9.672 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.246 -7.344 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.169 -8.363 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.903 -10.280 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.421 -9.646 1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.405 -8.718 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.366 -7.960 0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.933 -9.555 0.693 1.00 0.00 H new ATOM 548 N SER A 39 -6.348 -5.957 4.098 1.00 0.00 N ATOM 549 CA SER A 39 -6.651 -5.420 5.419 1.00 0.00 C ATOM 550 C SER A 39 -6.609 -3.895 5.408 1.00 0.00 C ATOM 551 O SER A 39 -7.344 -3.236 6.143 1.00 0.00 O ATOM 552 CB SER A 39 -5.662 -5.961 6.453 1.00 0.00 C ATOM 553 OG SER A 39 -4.334 -5.580 6.136 1.00 0.00 O ATOM 0 H SER A 39 -5.393 -6.300 3.991 1.00 0.00 H new ATOM 0 HA SER A 39 -7.658 -5.737 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.925 -5.587 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.732 -7.048 6.494 1.00 0.00 H new ATOM 0 HG SER A 39 -3.721 -5.936 6.813 1.00 0.00 H new ATOM 559 N GLY A 40 -5.741 -3.339 4.568 1.00 0.00 N ATOM 560 CA GLY A 40 -5.617 -1.896 4.477 1.00 0.00 C ATOM 561 C GLY A 40 -4.434 -1.364 5.262 1.00 0.00 C ATOM 562 O GLY A 40 -3.778 -0.410 4.841 1.00 0.00 O ATOM 0 H GLY A 40 -5.122 -3.862 3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.513 -1.609 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.532 -1.432 4.846 1.00 0.00 H new ATOM 566 N LEU A 41 -4.161 -1.980 6.407 1.00 0.00 N ATOM 567 CA LEU A 41 -3.050 -1.562 7.254 1.00 0.00 C ATOM 568 C LEU A 41 -1.818 -1.236 6.416 1.00 0.00 C ATOM 569 O LEU A 41 -1.202 -0.185 6.583 1.00 0.00 O ATOM 570 CB LEU A 41 -2.716 -2.658 8.268 1.00 0.00 C ATOM 571 CG LEU A 41 -3.831 -3.032 9.244 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.431 -4.242 10.074 1.00 0.00 C ATOM 573 CD2 LEU A 41 -4.169 -1.853 10.145 1.00 0.00 C ATOM 0 H LEU A 41 -4.694 -2.770 6.770 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.352 -0.661 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.424 -3.554 7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.848 -2.339 8.845 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.720 -3.290 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.237 -4.493 10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.240 -5.089 9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.528 -4.013 10.640 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.965 -2.138 10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.285 -1.564 10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.500 -1.012 9.535 1.00 0.00 H new ATOM 585 N ALA A 42 -1.467 -2.145 5.512 1.00 0.00 N ATOM 586 CA ALA A 42 -0.312 -1.952 4.644 1.00 0.00 C ATOM 587 C ALA A 42 -0.397 -0.622 3.903 1.00 0.00 C ATOM 588 O ALA A 42 0.435 0.265 4.099 1.00 0.00 O ATOM 589 CB ALA A 42 -0.197 -3.103 3.655 1.00 0.00 C ATOM 0 H ALA A 42 -1.966 -3.022 5.362 1.00 0.00 H new ATOM 0 HA ALA A 42 0.581 -1.933 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.670 -2.946 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.080 -4.040 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.098 -3.149 3.043 1.00 0.00 H new ATOM 595 N LEU A 43 -1.407 -0.489 3.050 1.00 0.00 N ATOM 596 CA LEU A 43 -1.602 0.733 2.279 1.00 0.00 C ATOM 597 C LEU A 43 -1.556 1.961 3.183 1.00 0.00 C ATOM 598 O LEU A 43 -0.975 2.986 2.825 1.00 0.00 O ATOM 599 CB LEU A 43 -2.937 0.683 1.535 1.00 0.00 C ATOM 600 CG LEU A 43 -3.054 1.583 0.304 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.787 1.508 -0.534 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.269 1.196 -0.527 1.00 0.00 C ATOM 0 H LEU A 43 -2.104 -1.213 2.875 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.792 0.808 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.120 -0.346 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.730 0.952 2.233 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.182 2.612 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.888 2.155 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.936 1.835 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.627 0.481 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.336 1.847 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.171 0.161 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.171 1.303 0.076 1.00 0.00 H new ATOM 614 N CYS A 44 -2.169 1.849 4.356 1.00 0.00 N ATOM 615 CA CYS A 44 -2.197 2.949 5.313 1.00 0.00 C ATOM 616 C CYS A 44 -0.807 3.208 5.884 1.00 0.00 C ATOM 617 O CYS A 44 -0.434 4.352 6.142 1.00 0.00 O ATOM 618 CB CYS A 44 -3.178 2.643 6.445 1.00 0.00 C ATOM 619 SG CYS A 44 -4.903 2.522 5.914 1.00 0.00 S ATOM 0 H CYS A 44 -2.654 1.007 4.667 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.527 3.846 4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.888 1.705 6.919 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.096 3.422 7.203 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.096 1.381 5.322 1.00 0.00 H new ATOM 625 N ALA A 45 -0.045 2.137 6.082 1.00 0.00 N ATOM 626 CA ALA A 45 1.304 2.248 6.623 1.00 0.00 C ATOM 627 C ALA A 45 2.239 2.930 5.629 1.00 0.00 C ATOM 628 O ALA A 45 3.182 3.618 6.022 1.00 0.00 O ATOM 629 CB ALA A 45 1.838 0.874 6.996 1.00 0.00 C ATOM 0 H ALA A 45 -0.339 1.182 5.876 1.00 0.00 H new ATOM 0 HA ALA A 45 1.259 2.864 7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.846 0.972 7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.190 0.423 7.747 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.862 0.240 6.110 1.00 0.00 H new ATOM 635 N ILE A 46 1.973 2.732 4.343 1.00 0.00 N ATOM 636 CA ILE A 46 2.792 3.328 3.294 1.00 0.00 C ATOM 637 C ILE A 46 2.745 4.851 3.358 1.00 0.00 C ATOM 638 O ILE A 46 3.776 5.508 3.507 1.00 0.00 O ATOM 639 CB ILE A 46 2.336 2.871 1.896 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.519 1.359 1.745 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.109 3.614 0.817 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.918 0.959 1.330 1.00 0.00 C ATOM 0 H ILE A 46 1.197 2.164 4.002 1.00 0.00 H new ATOM 0 HA ILE A 46 3.815 2.991 3.463 1.00 0.00 H new ATOM 0 HB ILE A 46 1.277 3.103 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.277 0.875 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.809 0.987 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.775 3.280 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.932 4.685 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.174 3.410 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.975 -0.126 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.156 1.414 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.632 1.300 2.080 1.00 0.00 H new ATOM 654 N ILE A 47 1.542 5.406 3.248 1.00 0.00 N ATOM 655 CA ILE A 47 1.361 6.851 3.297 1.00 0.00 C ATOM 656 C ILE A 47 1.913 7.431 4.595 1.00 0.00 C ATOM 657 O ILE A 47 2.598 8.454 4.589 1.00 0.00 O ATOM 658 CB ILE A 47 -0.124 7.237 3.166 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.715 6.650 1.883 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.282 8.750 3.185 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.225 6.557 1.900 1.00 0.00 C ATOM 0 H ILE A 47 0.679 4.877 3.124 1.00 0.00 H new ATOM 0 HA ILE A 47 1.912 7.267 2.453 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.668 6.824 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.406 7.264 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.300 5.655 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.337 9.007 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.106 9.145 4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.272 9.184 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.574 6.132 0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.541 5.919 2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.649 7.553 2.028 1.00 0.00 H new ATOM 673 N HIS A 48 1.611 6.769 5.708 1.00 0.00 N ATOM 674 CA HIS A 48 2.079 7.217 7.015 1.00 0.00 C ATOM 675 C HIS A 48 3.603 7.197 7.082 1.00 0.00 C ATOM 676 O HIS A 48 4.231 8.186 7.460 1.00 0.00 O ATOM 677 CB HIS A 48 1.496 6.335 8.119 1.00 0.00 C ATOM 678 CG HIS A 48 2.016 6.663 9.485 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.350 6.572 9.824 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.374 7.084 10.599 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.505 6.922 11.088 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.321 7.238 11.581 1.00 0.00 N ATOM 0 H HIS A 48 1.045 5.921 5.731 1.00 0.00 H new ATOM 0 HA HIS A 48 1.740 8.242 7.163 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.411 6.436 8.118 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.719 5.292 7.895 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.314 7.265 10.697 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.441 6.946 11.627 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.140 7.546 12.536 1.00 0.00 H new ATOM 691 N ARG A 49 4.192 6.063 6.714 1.00 0.00 N ATOM 692 CA ARG A 49 5.642 5.914 6.735 1.00 0.00 C ATOM 693 C ARG A 49 6.328 7.215 6.329 1.00 0.00 C ATOM 694 O ARG A 49 7.065 7.811 7.114 1.00 0.00 O ATOM 695 CB ARG A 49 6.073 4.783 5.799 1.00 0.00 C ATOM 696 CG ARG A 49 7.434 4.198 6.137 1.00 0.00 C ATOM 697 CD ARG A 49 8.552 5.192 5.860 1.00 0.00 C ATOM 698 NE ARG A 49 9.862 4.657 6.222 1.00 0.00 N ATOM 699 CZ ARG A 49 10.360 4.704 7.452 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.661 5.257 8.434 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.560 4.195 7.703 1.00 0.00 N ATOM 0 H ARG A 49 3.687 5.235 6.398 1.00 0.00 H new ATOM 0 HA ARG A 49 5.943 5.668 7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.327 3.989 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.092 5.157 4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.456 3.908 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.597 3.293 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.548 5.457 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.368 6.110 6.419 1.00 0.00 H new ATOM 0 HE ARG A 49 10.425 4.224 5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.738 5.648 8.246 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.046 5.291 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.100 3.767 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.942 4.231 8.648 1.00 0.00 H new ATOM 715 N TYR A 50 6.082 7.648 5.097 1.00 0.00 N ATOM 716 CA TYR A 50 6.679 8.876 4.586 1.00 0.00 C ATOM 717 C TYR A 50 5.983 10.103 5.166 1.00 0.00 C ATOM 718 O TYR A 50 6.634 11.042 5.622 1.00 0.00 O ATOM 719 CB TYR A 50 6.602 8.907 3.058 1.00 0.00 C ATOM 720 CG TYR A 50 7.579 7.971 2.383 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.488 6.596 2.560 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.592 8.461 1.570 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.379 5.736 1.946 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.487 7.610 0.951 1.00 0.00 C ATOM 725 CZ TYR A 50 9.376 6.248 1.142 1.00 0.00 C ATOM 726 OH TYR A 50 10.266 5.396 0.528 1.00 0.00 O ATOM 0 H TYR A 50 5.474 7.167 4.434 1.00 0.00 H new ATOM 0 HA TYR A 50 7.725 8.896 4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.590 8.647 2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.789 9.924 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.708 6.192 3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.682 9.527 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.295 4.670 2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.269 8.008 0.321 1.00 0.00 H new ATOM 0 HH TYR A 50 10.878 5.025 1.197 1.00 0.00 H new ATOM 736 N ARG A 51 4.654 10.086 5.146 1.00 0.00 N ATOM 737 CA ARG A 51 3.868 11.196 5.670 1.00 0.00 C ATOM 738 C ARG A 51 2.819 10.700 6.661 1.00 0.00 C ATOM 739 O ARG A 51 1.719 10.295 6.287 1.00 0.00 O ATOM 740 CB ARG A 51 3.187 11.951 4.527 1.00 0.00 C ATOM 741 CG ARG A 51 4.129 12.312 3.389 1.00 0.00 C ATOM 742 CD ARG A 51 4.928 13.567 3.704 1.00 0.00 C ATOM 743 NE ARG A 51 5.282 14.307 2.496 1.00 0.00 N ATOM 744 CZ ARG A 51 6.183 15.282 2.469 1.00 0.00 C ATOM 745 NH1 ARG A 51 6.819 15.632 3.579 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.451 15.910 1.331 1.00 0.00 N ATOM 0 H ARG A 51 4.099 9.316 4.773 1.00 0.00 H new ATOM 0 HA ARG A 51 4.545 11.873 6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.373 11.342 4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.740 12.864 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.811 11.482 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.555 12.464 2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.348 14.210 4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.836 13.293 4.241 1.00 0.00 H new ATOM 0 HE ARG A 51 4.811 14.061 1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.616 15.152 4.456 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.511 16.381 3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.964 15.644 0.475 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.143 16.659 1.312 1.00 0.00 H new ATOM 760 N PRO A 52 3.167 10.733 7.956 1.00 0.00 N ATOM 761 CA PRO A 52 2.270 10.290 9.028 1.00 0.00 C ATOM 762 C PRO A 52 1.087 11.234 9.221 1.00 0.00 C ATOM 763 O PRO A 52 0.035 10.832 9.718 1.00 0.00 O ATOM 764 CB PRO A 52 3.168 10.298 10.268 1.00 0.00 C ATOM 765 CG PRO A 52 4.233 11.292 9.958 1.00 0.00 C ATOM 766 CD PRO A 52 4.462 11.204 8.474 1.00 0.00 C ATOM 0 HA PRO A 52 1.826 9.318 8.813 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.609 10.582 11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.590 9.311 10.457 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.925 12.297 10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.147 11.069 10.508 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.736 12.171 8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.268 10.511 8.232 1.00 0.00 H new ATOM 774 N ASP A 53 1.267 12.489 8.824 1.00 0.00 N ATOM 775 CA ASP A 53 0.214 13.489 8.952 1.00 0.00 C ATOM 776 C ASP A 53 -0.986 13.130 8.081 1.00 0.00 C ATOM 777 O ASP A 53 -2.133 13.205 8.524 1.00 0.00 O ATOM 778 CB ASP A 53 0.744 14.871 8.566 1.00 0.00 C ATOM 779 CG ASP A 53 -0.363 15.823 8.160 1.00 0.00 C ATOM 780 OD1 ASP A 53 -0.986 15.593 7.102 1.00 0.00 O ATOM 781 OD2 ASP A 53 -0.607 16.799 8.900 1.00 0.00 O ATOM 0 H ASP A 53 2.132 12.838 8.411 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.108 13.509 9.993 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.293 15.294 9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.451 14.769 7.743 1.00 0.00 H new ATOM 786 N LEU A 54 -0.714 12.740 6.840 1.00 0.00 N ATOM 787 CA LEU A 54 -1.771 12.370 5.906 1.00 0.00 C ATOM 788 C LEU A 54 -2.696 11.323 6.517 1.00 0.00 C ATOM 789 O LEU A 54 -3.900 11.546 6.649 1.00 0.00 O ATOM 790 CB LEU A 54 -1.166 11.836 4.606 1.00 0.00 C ATOM 791 CG LEU A 54 -0.052 12.680 3.988 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.435 12.054 2.690 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.533 14.104 3.747 1.00 0.00 C ATOM 0 H LEU A 54 0.229 12.672 6.458 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.357 13.263 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.775 10.836 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.965 11.732 3.872 1.00 0.00 H new ATOM 0 HG LEU A 54 0.783 12.713 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.228 12.669 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.819 11.054 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.393 11.990 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.273 14.691 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.385 14.090 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.832 14.552 4.694 1.00 0.00 H new ATOM 805 N ILE A 55 -2.126 10.183 6.891 1.00 0.00 N ATOM 806 CA ILE A 55 -2.900 9.103 7.492 1.00 0.00 C ATOM 807 C ILE A 55 -2.309 8.685 8.834 1.00 0.00 C ATOM 808 O ILE A 55 -1.090 8.624 8.995 1.00 0.00 O ATOM 809 CB ILE A 55 -2.964 7.874 6.566 1.00 0.00 C ATOM 810 CG1 ILE A 55 -4.184 7.015 6.907 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.686 7.057 6.681 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.669 6.169 5.751 1.00 0.00 C ATOM 0 H ILE A 55 -1.131 9.983 6.789 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.909 9.485 7.645 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.061 8.218 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.937 6.363 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.995 7.664 7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.747 6.192 6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.833 7.673 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.561 6.720 7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.535 5.587 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.948 6.815 4.919 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.873 5.494 5.435 1.00 0.00 H new ATOM 824 N ASP A 56 -3.181 8.396 9.793 1.00 0.00 N ATOM 825 CA ASP A 56 -2.746 7.979 11.122 1.00 0.00 C ATOM 826 C ASP A 56 -2.894 6.471 11.294 1.00 0.00 C ATOM 827 O ASP A 56 -3.983 5.921 11.132 1.00 0.00 O ATOM 828 CB ASP A 56 -3.552 8.709 12.197 1.00 0.00 C ATOM 829 CG ASP A 56 -2.768 8.897 13.481 1.00 0.00 C ATOM 830 OD1 ASP A 56 -1.875 8.069 13.756 1.00 0.00 O ATOM 831 OD2 ASP A 56 -3.047 9.872 14.210 1.00 0.00 O ATOM 0 H ASP A 56 -4.193 8.443 9.676 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.692 8.237 11.230 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.860 9.683 11.817 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.462 8.147 12.409 1.00 0.00 H new ATOM 836 N PHE A 57 -1.790 5.807 11.621 1.00 0.00 N ATOM 837 CA PHE A 57 -1.795 4.362 11.813 1.00 0.00 C ATOM 838 C PHE A 57 -2.129 4.006 13.259 1.00 0.00 C ATOM 839 O PHE A 57 -2.837 3.034 13.523 1.00 0.00 O ATOM 840 CB PHE A 57 -0.437 3.770 11.431 1.00 0.00 C ATOM 841 CG PHE A 57 -0.421 2.268 11.412 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.926 1.571 10.326 1.00 0.00 C ATOM 843 CD2 PHE A 57 0.097 1.554 12.480 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.913 0.189 10.305 1.00 0.00 C ATOM 845 CE2 PHE A 57 0.113 0.172 12.464 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.393 -0.512 11.376 1.00 0.00 C ATOM 0 H PHE A 57 -0.880 6.247 11.759 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.563 3.938 11.166 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.152 4.141 10.446 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.316 4.124 12.135 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.334 2.114 9.486 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.493 2.083 13.334 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.309 -0.342 9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.521 -0.373 13.302 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.382 -1.592 11.362 1.00 0.00 H new ATOM 856 N ASP A 58 -1.614 4.801 14.191 1.00 0.00 N ATOM 857 CA ASP A 58 -1.858 4.571 15.610 1.00 0.00 C ATOM 858 C ASP A 58 -3.350 4.620 15.921 1.00 0.00 C ATOM 859 O ASP A 58 -3.831 3.927 16.818 1.00 0.00 O ATOM 860 CB ASP A 58 -1.115 5.611 16.451 1.00 0.00 C ATOM 861 CG ASP A 58 0.384 5.570 16.231 1.00 0.00 C ATOM 862 OD1 ASP A 58 0.830 5.930 15.122 1.00 0.00 O ATOM 863 OD2 ASP A 58 1.112 5.178 17.167 1.00 0.00 O ATOM 0 H ASP A 58 -1.026 5.609 13.989 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.486 3.578 15.861 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.488 6.606 16.206 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.329 5.441 17.506 1.00 0.00 H new ATOM 868 N SER A 59 -4.079 5.443 15.174 1.00 0.00 N ATOM 869 CA SER A 59 -5.516 5.586 15.373 1.00 0.00 C ATOM 870 C SER A 59 -6.268 4.401 14.773 1.00 0.00 C ATOM 871 O SER A 59 -7.200 3.872 15.380 1.00 0.00 O ATOM 872 CB SER A 59 -6.012 6.890 14.744 1.00 0.00 C ATOM 873 OG SER A 59 -5.945 7.960 15.670 1.00 0.00 O ATOM 0 H SER A 59 -3.698 6.021 14.425 1.00 0.00 H new ATOM 0 HA SER A 59 -5.709 5.612 16.446 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.410 7.126 13.866 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.039 6.765 14.402 1.00 0.00 H new ATOM 0 HG SER A 59 -6.266 8.782 15.244 1.00 0.00 H new ATOM 879 N LEU A 60 -5.855 3.990 13.580 1.00 0.00 N ATOM 880 CA LEU A 60 -6.488 2.867 12.896 1.00 0.00 C ATOM 881 C LEU A 60 -6.431 1.606 13.752 1.00 0.00 C ATOM 882 O LEU A 60 -5.829 1.600 14.826 1.00 0.00 O ATOM 883 CB LEU A 60 -5.808 2.615 11.550 1.00 0.00 C ATOM 884 CG LEU A 60 -5.988 3.703 10.491 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.003 3.506 9.350 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.418 3.708 9.970 1.00 0.00 C ATOM 0 H LEU A 60 -5.085 4.417 13.066 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.534 3.121 12.725 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.741 2.480 11.725 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.186 1.676 11.145 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.787 4.670 10.953 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.146 4.290 8.606 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.985 3.554 9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.171 2.533 8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.528 4.489 9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.646 2.740 9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.105 3.899 10.794 1.00 0.00 H new ATOM 898 N ASP A 61 -7.060 0.541 13.269 1.00 0.00 N ATOM 899 CA ASP A 61 -7.078 -0.728 13.989 1.00 0.00 C ATOM 900 C ASP A 61 -7.266 -1.896 13.026 1.00 0.00 C ATOM 901 O ASP A 61 -8.124 -1.853 12.145 1.00 0.00 O ATOM 902 CB ASP A 61 -8.193 -0.729 15.036 1.00 0.00 C ATOM 903 CG ASP A 61 -8.049 -1.862 16.033 1.00 0.00 C ATOM 904 OD1 ASP A 61 -6.917 -2.357 16.210 1.00 0.00 O ATOM 905 OD2 ASP A 61 -9.070 -2.253 16.637 1.00 0.00 O ATOM 0 H ASP A 61 -7.564 0.530 12.382 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.118 -0.846 14.492 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.189 0.222 15.568 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.158 -0.810 14.535 1.00 0.00 H new ATOM 910 N GLU A 62 -6.458 -2.937 13.201 1.00 0.00 N ATOM 911 CA GLU A 62 -6.536 -4.115 12.346 1.00 0.00 C ATOM 912 C GLU A 62 -7.984 -4.555 12.156 1.00 0.00 C ATOM 913 O GLU A 62 -8.386 -4.945 11.059 1.00 0.00 O ATOM 914 CB GLU A 62 -5.718 -5.262 12.944 1.00 0.00 C ATOM 915 CG GLU A 62 -6.214 -5.718 14.305 1.00 0.00 C ATOM 916 CD GLU A 62 -5.403 -6.869 14.867 1.00 0.00 C ATOM 917 OE1 GLU A 62 -4.175 -6.707 15.029 1.00 0.00 O ATOM 918 OE2 GLU A 62 -5.996 -7.933 15.144 1.00 0.00 O ATOM 0 H GLU A 62 -5.743 -2.988 13.926 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.123 -3.853 11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.738 -6.108 12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.678 -4.948 13.032 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.177 -4.879 15.000 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.258 -6.020 14.224 1.00 0.00 H new ATOM 925 N GLN A 63 -8.763 -4.490 13.231 1.00 0.00 N ATOM 926 CA GLN A 63 -10.166 -4.883 13.183 1.00 0.00 C ATOM 927 C GLN A 63 -10.874 -4.228 12.002 1.00 0.00 C ATOM 928 O GLN A 63 -11.585 -4.890 11.247 1.00 0.00 O ATOM 929 CB GLN A 63 -10.869 -4.504 14.488 1.00 0.00 C ATOM 930 CG GLN A 63 -10.371 -5.283 15.695 1.00 0.00 C ATOM 931 CD GLN A 63 -11.380 -5.313 16.826 1.00 0.00 C ATOM 932 OE1 GLN A 63 -12.458 -4.726 16.728 1.00 0.00 O ATOM 933 NE2 GLN A 63 -11.035 -6.000 17.909 1.00 0.00 N ATOM 0 H GLN A 63 -8.446 -4.169 14.146 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.210 -5.965 13.056 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.729 -3.439 14.670 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.940 -4.670 14.375 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -10.139 -6.304 15.393 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.443 -4.837 16.053 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.131 -6.471 17.947 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.674 -6.056 18.702 1.00 0.00 H new ATOM 942 N ASN A 64 -10.675 -2.923 11.848 1.00 0.00 N ATOM 943 CA ASN A 64 -11.296 -2.178 10.759 1.00 0.00 C ATOM 944 C ASN A 64 -10.579 -2.445 9.439 1.00 0.00 C ATOM 945 O ASN A 64 -9.438 -2.025 9.244 1.00 0.00 O ATOM 946 CB ASN A 64 -11.282 -0.679 11.066 1.00 0.00 C ATOM 947 CG ASN A 64 -11.450 -0.390 12.545 1.00 0.00 C ATOM 948 OD1 ASN A 64 -12.107 -1.142 13.265 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.854 0.704 13.005 1.00 0.00 N ATOM 0 H ASN A 64 -10.089 -2.360 12.464 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.329 -2.513 10.665 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.343 -0.249 10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.082 -0.190 10.510 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.931 0.950 13.992 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.319 1.298 12.371 1.00 0.00 H new ATOM 956 N VAL A 65 -11.256 -3.146 8.535 1.00 0.00 N ATOM 957 CA VAL A 65 -10.684 -3.469 7.233 1.00 0.00 C ATOM 958 C VAL A 65 -11.224 -2.540 6.151 1.00 0.00 C ATOM 959 O VAL A 65 -10.460 -1.934 5.402 1.00 0.00 O ATOM 960 CB VAL A 65 -10.979 -4.927 6.836 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.554 -5.186 5.399 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.284 -5.889 7.788 1.00 0.00 C ATOM 0 H VAL A 65 -12.201 -3.501 8.680 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.606 -3.335 7.319 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.054 -5.094 6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.770 -6.222 5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.102 -4.521 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.485 -5.002 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.503 -6.915 7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.207 -5.723 7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.643 -5.719 8.803 1.00 0.00 H new ATOM 972 N GLU A 66 -12.547 -2.434 6.077 1.00 0.00 N ATOM 973 CA GLU A 66 -13.190 -1.578 5.086 1.00 0.00 C ATOM 974 C GLU A 66 -12.825 -0.114 5.312 1.00 0.00 C ATOM 975 O GLU A 66 -12.823 0.689 4.379 1.00 0.00 O ATOM 976 CB GLU A 66 -14.709 -1.751 5.139 1.00 0.00 C ATOM 977 CG GLU A 66 -15.468 -0.712 4.330 1.00 0.00 C ATOM 978 CD GLU A 66 -16.972 -0.846 4.473 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.476 -1.986 4.402 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.644 0.191 4.655 1.00 0.00 O ATOM 0 H GLU A 66 -13.194 -2.929 6.690 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.832 -1.875 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.966 -2.744 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.036 -1.701 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.164 0.285 4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.197 -0.807 3.279 1.00 0.00 H new ATOM 987 N LYS A 67 -12.516 0.226 6.559 1.00 0.00 N ATOM 988 CA LYS A 67 -12.148 1.593 6.910 1.00 0.00 C ATOM 989 C LYS A 67 -10.736 1.917 6.431 1.00 0.00 C ATOM 990 O LYS A 67 -10.550 2.725 5.522 1.00 0.00 O ATOM 991 CB LYS A 67 -12.243 1.795 8.424 1.00 0.00 C ATOM 992 CG LYS A 67 -12.117 3.247 8.853 1.00 0.00 C ATOM 993 CD LYS A 67 -12.889 3.518 10.133 1.00 0.00 C ATOM 994 CE LYS A 67 -13.041 5.010 10.386 1.00 0.00 C ATOM 995 NZ LYS A 67 -13.542 5.292 11.760 1.00 0.00 N ATOM 0 H LYS A 67 -12.513 -0.426 7.343 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.845 2.269 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.197 1.403 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.460 1.212 8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.066 3.494 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.487 3.896 8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.874 3.056 10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.374 3.056 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.079 5.502 10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.729 5.434 9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.632 6.320 11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.471 4.844 11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.873 4.910 12.459 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.746 1.280 7.048 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.351 1.500 6.683 1.00 0.00 C ATOM 1011 C ASN A 68 -8.214 1.747 5.183 1.00 0.00 C ATOM 1012 O ASN A 68 -7.449 2.609 4.754 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.499 0.298 7.093 1.00 0.00 C ATOM 1014 CG ASN A 68 -7.085 0.354 8.551 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.931 0.642 8.870 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -8.028 0.078 9.445 1.00 0.00 N ATOM 0 H ASN A 68 -9.884 0.608 7.803 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.998 2.385 7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.059 -0.620 6.912 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.608 0.257 6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.809 0.100 10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.971 -0.156 9.136 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.961 0.984 4.393 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.923 1.119 2.941 1.00 0.00 C ATOM 1025 C ASN A 69 -9.658 2.379 2.493 1.00 0.00 C ATOM 1026 O ASN A 69 -9.057 3.291 1.926 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.545 -0.111 2.277 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.644 -1.329 2.358 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.598 -1.386 1.712 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.048 -2.310 3.156 1.00 0.00 N ATOM 0 H ASN A 69 -9.600 0.266 4.733 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.880 1.200 2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.499 -0.335 2.755 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.757 0.112 1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.484 -3.154 3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.923 -2.220 3.673 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.961 2.421 2.752 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.778 3.568 2.375 1.00 0.00 C ATOM 1039 C GLN A 70 -11.042 4.875 2.652 1.00 0.00 C ATOM 1040 O GLN A 70 -11.069 5.800 1.839 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.106 3.547 3.132 1.00 0.00 C ATOM 1042 CG GLN A 70 -14.022 4.711 2.789 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.547 4.640 1.368 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -15.480 3.892 1.076 1.00 0.00 O ATOM 1045 NE2 GLN A 70 -13.950 5.422 0.476 1.00 0.00 N ATOM 0 H GLN A 70 -11.473 1.674 3.221 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.977 3.504 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.623 2.613 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.904 3.558 4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.863 4.724 3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.481 5.647 2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.180 6.027 0.762 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.262 5.418 -0.495 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.385 4.945 3.805 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.641 6.139 4.190 1.00 0.00 C ATOM 1056 C LEU A 71 -8.517 6.424 3.199 1.00 0.00 C ATOM 1057 O LEU A 71 -8.545 7.426 2.485 1.00 0.00 O ATOM 1058 CB LEU A 71 -9.066 5.973 5.598 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.385 7.206 6.194 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.338 8.390 6.203 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.884 6.910 7.601 1.00 0.00 C ATOM 0 H LEU A 71 -10.353 4.189 4.489 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.329 6.984 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.873 5.670 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.344 5.157 5.580 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.528 7.462 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.836 9.258 6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.647 8.616 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.215 8.146 6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.402 7.798 8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.725 6.629 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.166 6.091 7.567 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.530 5.535 3.160 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.399 5.688 2.254 1.00 0.00 C ATOM 1075 C ALA A 72 -6.865 6.079 0.856 1.00 0.00 C ATOM 1076 O ALA A 72 -6.439 7.097 0.311 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.586 4.403 2.202 1.00 0.00 C ATOM 0 H ALA A 72 -7.491 4.701 3.746 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.766 6.489 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.745 4.532 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.213 4.168 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.217 3.587 1.848 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.740 5.262 0.279 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.263 5.521 -1.057 1.00 0.00 C ATOM 1085 C PHE A 73 -8.636 6.992 -1.219 1.00 0.00 C ATOM 1086 O PHE A 73 -8.619 7.530 -2.327 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.484 4.641 -1.330 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.136 3.215 -1.649 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.133 2.920 -2.559 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.810 2.170 -1.038 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.811 1.609 -2.855 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.492 0.857 -1.330 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.490 0.576 -2.238 1.00 0.00 C ATOM 0 H PHE A 73 -8.102 4.414 0.716 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.482 5.280 -1.778 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.138 4.661 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.048 5.064 -2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.597 3.724 -3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.593 2.384 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.029 1.392 -3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.027 0.052 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.238 -0.449 -2.465 1.00 0.00 H new ATOM 1103 N ASP A 74 -8.974 7.636 -0.108 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.351 9.045 -0.125 1.00 0.00 C ATOM 1105 C ASP A 74 -8.146 9.934 0.168 1.00 0.00 C ATOM 1106 O ASP A 74 -7.783 10.790 -0.639 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.457 9.311 0.897 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.341 10.478 0.502 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.445 10.761 -0.710 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -11.930 11.108 1.405 1.00 0.00 O ATOM 0 H ASP A 74 -8.995 7.205 0.816 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.722 9.284 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.069 8.416 1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.008 9.512 1.870 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.531 9.725 1.327 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.368 10.507 1.726 1.00 0.00 C ATOM 1117 C ILE A 75 -5.328 10.553 0.612 1.00 0.00 C ATOM 1118 O ILE A 75 -4.844 11.623 0.244 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.715 9.936 2.999 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.753 9.806 4.116 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.560 10.820 3.444 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.508 11.087 4.392 1.00 0.00 C ATOM 0 H ILE A 75 -7.819 9.021 2.006 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.723 11.517 1.931 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.323 8.944 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.465 9.024 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.253 9.484 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.109 10.403 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.812 10.868 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.930 11.823 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.226 10.920 5.195 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.806 11.866 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.037 11.399 3.491 1.00 0.00 H new ATOM 1134 N ALA A 76 -4.990 9.384 0.077 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.010 9.290 -0.998 1.00 0.00 C ATOM 1136 C ALA A 76 -4.297 10.313 -2.093 1.00 0.00 C ATOM 1137 O ALA A 76 -3.597 11.318 -2.214 1.00 0.00 O ATOM 1138 CB ALA A 76 -3.995 7.884 -1.578 1.00 0.00 C ATOM 0 H ALA A 76 -5.381 8.489 0.371 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.027 9.509 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.259 7.829 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.734 7.171 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.981 7.643 -1.974 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.330 10.049 -2.887 1.00 0.00 N ATOM 1145 CA GLU A 77 -5.707 10.946 -3.972 1.00 0.00 C ATOM 1146 C GLU A 77 -5.856 12.379 -3.467 1.00 0.00 C ATOM 1147 O GLU A 77 -5.378 13.324 -4.095 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.016 10.483 -4.616 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.302 11.140 -5.955 1.00 0.00 C ATOM 1150 CD GLU A 77 -8.098 12.423 -5.818 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -8.059 13.032 -4.728 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -8.761 12.818 -6.800 1.00 0.00 O ATOM 0 H GLU A 77 -5.920 9.222 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.914 10.922 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.982 9.402 -4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.840 10.693 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.359 11.354 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.851 10.442 -6.588 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.523 12.532 -2.328 1.00 0.00 N ATOM 1160 CA LYS A 78 -6.735 13.847 -1.736 1.00 0.00 C ATOM 1161 C LYS A 78 -5.454 14.675 -1.776 1.00 0.00 C ATOM 1162 O LYS A 78 -5.435 15.778 -2.320 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.219 13.707 -0.291 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.730 13.614 -0.162 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.375 14.990 -0.169 1.00 0.00 C ATOM 1166 CE LYS A 78 -9.169 15.709 1.156 1.00 0.00 C ATOM 1167 NZ LYS A 78 -9.298 17.185 1.011 1.00 0.00 N ATOM 0 H LYS A 78 -6.926 11.761 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.498 14.362 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.770 12.817 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.865 14.561 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.130 13.019 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.986 13.096 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.953 15.587 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.442 14.892 -0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.899 15.350 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.182 15.468 1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.151 17.639 1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.585 17.531 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.248 17.417 0.658 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.387 14.134 -1.197 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.103 14.824 -1.168 1.00 0.00 C ATOM 1183 C GLU A 79 -2.158 14.261 -2.226 1.00 0.00 C ATOM 1184 O GLU A 79 -1.755 14.965 -3.152 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.464 14.702 0.218 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.303 15.310 1.330 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.000 16.779 1.552 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -1.806 17.143 1.559 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -3.957 17.564 1.720 1.00 0.00 O ATOM 0 H GLU A 79 -4.386 13.221 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.281 15.877 -1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.292 13.648 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.488 15.188 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.359 15.193 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.125 14.762 2.255 1.00 0.00 H new ATOM 1196 N LEU A 80 -1.810 12.987 -2.081 1.00 0.00 N ATOM 1197 CA LEU A 80 -0.913 12.327 -3.024 1.00 0.00 C ATOM 1198 C LEU A 80 -1.390 12.524 -4.459 1.00 0.00 C ATOM 1199 O LEU A 80 -0.629 12.954 -5.324 1.00 0.00 O ATOM 1200 CB LEU A 80 -0.815 10.834 -2.706 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.563 10.474 -1.242 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.482 8.966 -1.069 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.710 11.140 -0.741 1.00 0.00 C ATOM 0 H LEU A 80 -2.135 12.391 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 80 0.074 12.778 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.741 10.354 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.013 10.407 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.400 10.842 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.302 8.729 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.420 8.512 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.335 8.574 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.874 10.873 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.557 10.803 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.613 12.222 -0.828 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.659 12.208 -4.704 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.217 12.358 -6.035 1.00 0.00 C ATOM 1217 C GLY A 81 -3.487 11.026 -6.704 1.00 0.00 C ATOM 1218 O GLY A 81 -4.015 10.978 -7.816 1.00 0.00 O ATOM 0 H GLY A 81 -3.310 11.851 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.146 12.925 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.529 12.937 -6.651 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.124 9.941 -6.028 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.331 8.602 -6.565 1.00 0.00 C ATOM 1224 C ILE A 82 -4.801 8.203 -6.497 1.00 0.00 C ATOM 1225 O ILE A 82 -5.318 7.880 -5.427 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.491 7.556 -5.808 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.007 7.928 -5.858 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.716 6.171 -6.394 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.128 7.020 -5.027 1.00 0.00 C ATOM 0 H ILE A 82 -2.685 9.963 -5.108 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.012 8.627 -7.607 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.808 7.543 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.668 7.900 -6.894 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.886 8.954 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.116 5.443 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.770 5.907 -6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.424 6.168 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.910 7.343 -5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.440 7.066 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.219 5.995 -5.388 1.00 0.00 H new ATOM 1241 N SER A 83 -5.468 8.225 -7.646 1.00 0.00 N ATOM 1242 CA SER A 83 -6.880 7.868 -7.717 1.00 0.00 C ATOM 1243 C SER A 83 -7.093 6.411 -7.315 1.00 0.00 C ATOM 1244 O SER A 83 -6.422 5.502 -7.804 1.00 0.00 O ATOM 1245 CB SER A 83 -7.417 8.103 -9.130 1.00 0.00 C ATOM 1246 OG SER A 83 -8.525 7.262 -9.401 1.00 0.00 O ATOM 0 H SER A 83 -5.054 8.486 -8.541 1.00 0.00 H new ATOM 0 HA SER A 83 -7.425 8.503 -7.019 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.713 9.146 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.628 7.916 -9.858 1.00 0.00 H new ATOM 0 HG SER A 83 -8.851 7.433 -10.309 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.049 6.183 -6.403 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.374 4.840 -5.915 1.00 0.00 C ATOM 1254 C PRO A 84 -9.049 3.983 -6.981 1.00 0.00 C ATOM 1255 O PRO A 84 -9.919 4.458 -7.712 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.336 5.106 -4.755 1.00 0.00 C ATOM 1257 CG PRO A 84 -9.950 6.427 -5.068 1.00 0.00 C ATOM 1258 CD PRO A 84 -8.888 7.220 -5.778 1.00 0.00 C ATOM 0 HA PRO A 84 -7.481 4.285 -5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.093 4.325 -4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.809 5.130 -3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.833 6.308 -5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.272 6.933 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.317 7.892 -6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.316 7.836 -5.085 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.644 2.721 -7.063 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.212 1.798 -8.038 1.00 0.00 C ATOM 1268 C ILE A 85 -10.552 1.250 -7.561 1.00 0.00 C ATOM 1269 O ILE A 85 -11.405 0.881 -8.367 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.259 0.622 -8.321 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.931 -0.121 -7.024 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.986 1.119 -8.990 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -7.209 -1.432 -7.244 1.00 0.00 C ATOM 0 H ILE A 85 -7.924 2.314 -6.466 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.361 2.363 -8.958 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.755 -0.072 -9.000 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.317 0.521 -6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.856 -0.312 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.323 0.275 -9.183 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.237 1.607 -9.932 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.485 1.831 -8.335 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.009 -1.903 -6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.830 -2.092 -7.849 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.267 -1.246 -7.760 1.00 0.00 H new ATOM 1285 N MET A 86 -10.730 1.201 -6.245 1.00 0.00 N ATOM 1286 CA MET A 86 -11.968 0.700 -5.660 1.00 0.00 C ATOM 1287 C MET A 86 -12.216 1.328 -4.292 1.00 0.00 C ATOM 1288 O MET A 86 -11.358 2.028 -3.753 1.00 0.00 O ATOM 1289 CB MET A 86 -11.918 -0.824 -5.533 1.00 0.00 C ATOM 1290 CG MET A 86 -10.971 -1.312 -4.448 1.00 0.00 C ATOM 1291 SD MET A 86 -10.978 -3.107 -4.276 1.00 0.00 S ATOM 1292 CE MET A 86 -9.397 -3.524 -5.006 1.00 0.00 C ATOM 0 H MET A 86 -10.033 1.502 -5.564 1.00 0.00 H new ATOM 0 HA MET A 86 -12.790 0.975 -6.321 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.921 -1.196 -5.323 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.613 -1.250 -6.489 1.00 0.00 H new ATOM 0 HG2 MET A 86 -9.959 -0.977 -4.676 1.00 0.00 H new ATOM 0 HG3 MET A 86 -11.250 -0.859 -3.497 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.255 -4.604 -4.974 1.00 0.00 H new ATOM 0 HE2 MET A 86 -9.374 -3.186 -6.042 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.598 -3.036 -4.447 1.00 0.00 H new ATOM 1302 N THR A 87 -13.396 1.074 -3.734 1.00 0.00 N ATOM 1303 CA THR A 87 -13.758 1.615 -2.430 1.00 0.00 C ATOM 1304 C THR A 87 -13.524 0.591 -1.326 1.00 0.00 C ATOM 1305 O THR A 87 -13.706 -0.608 -1.529 1.00 0.00 O ATOM 1306 CB THR A 87 -15.231 2.063 -2.397 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.088 0.920 -2.300 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.582 2.863 -3.642 1.00 0.00 C ATOM 0 H THR A 87 -14.117 0.496 -4.166 1.00 0.00 H new ATOM 0 HA THR A 87 -13.119 2.481 -2.259 1.00 0.00 H new ATOM 0 HB THR A 87 -15.375 2.700 -1.524 1.00 0.00 H new ATOM 0 HG1 THR A 87 -17.023 1.213 -2.278 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.627 3.168 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.948 3.748 -3.697 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.423 2.247 -4.527 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.120 1.073 -0.154 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.868 0.185 0.966 1.00 0.00 C ATOM 1318 C GLY A 88 -13.869 -0.951 1.041 1.00 0.00 C ATOM 1319 O GLY A 88 -13.496 -2.103 1.262 1.00 0.00 O ATOM 0 H GLY A 88 -12.963 2.062 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.862 -0.226 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.901 0.756 1.894 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.144 -0.627 0.858 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.203 -1.629 0.906 1.00 0.00 C ATOM 1325 C LYS A 89 -15.964 -2.723 -0.129 1.00 0.00 C ATOM 1326 O LYS A 89 -15.829 -3.897 0.216 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.565 -0.974 0.666 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.739 -1.833 1.102 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.174 -2.784 0.000 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.217 -2.147 -0.906 1.00 0.00 C ATOM 1331 NZ LYS A 89 -19.621 -1.114 -1.797 1.00 0.00 N ATOM 0 H LYS A 89 -15.470 0.322 0.675 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.195 -2.083 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.602 -0.025 1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.667 -0.746 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.464 -2.404 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.575 -1.193 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.307 -3.078 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.581 -3.693 0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.692 -2.919 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.999 -1.694 -0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.180 -1.045 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.623 -0.194 -1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.643 -1.380 -2.031 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.912 -2.330 -1.398 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.688 -3.279 -2.482 1.00 0.00 C ATOM 1347 C GLU A 90 -14.440 -4.118 -2.223 1.00 0.00 C ATOM 1348 O GLU A 90 -14.282 -5.203 -2.780 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.552 -2.541 -3.816 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.884 -2.156 -4.437 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.631 -3.349 -5.001 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.969 -4.334 -5.389 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -18.878 -3.298 -5.054 1.00 0.00 O ATOM 0 H GLU A 90 -16.022 -1.362 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.549 -3.946 -2.530 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.958 -1.640 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.003 -3.171 -4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.503 -1.667 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.714 -1.430 -5.232 1.00 0.00 H new ATOM 1360 N MET A 91 -13.556 -3.605 -1.373 1.00 0.00 N ATOM 1361 CA MET A 91 -12.322 -4.306 -1.039 1.00 0.00 C ATOM 1362 C MET A 91 -12.561 -5.331 0.065 1.00 0.00 C ATOM 1363 O MET A 91 -11.862 -6.341 0.149 1.00 0.00 O ATOM 1364 CB MET A 91 -11.246 -3.310 -0.602 1.00 0.00 C ATOM 1365 CG MET A 91 -9.940 -3.968 -0.188 1.00 0.00 C ATOM 1366 SD MET A 91 -9.058 -4.696 -1.582 1.00 0.00 S ATOM 1367 CE MET A 91 -7.505 -3.806 -1.502 1.00 0.00 C ATOM 0 H MET A 91 -13.671 -2.707 -0.903 1.00 0.00 H new ATOM 0 HA MET A 91 -11.980 -4.831 -1.931 1.00 0.00 H new ATOM 0 HB2 MET A 91 -11.051 -2.617 -1.420 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.626 -2.720 0.232 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.302 -3.228 0.295 1.00 0.00 H new ATOM 0 HG3 MET A 91 -10.146 -4.742 0.551 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.849 -4.146 -2.304 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.692 -2.738 -1.614 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.028 -3.992 -0.540 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.552 -5.065 0.909 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.884 -5.966 2.006 1.00 0.00 C ATOM 1379 C ALA A 92 -14.809 -7.084 1.538 1.00 0.00 C ATOM 1380 O ALA A 92 -14.717 -8.217 2.010 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.524 -5.192 3.149 1.00 0.00 C ATOM 0 H ALA A 92 -14.139 -4.233 0.854 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.960 -6.421 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.767 -5.877 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.829 -4.434 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.436 -4.710 2.796 1.00 0.00 H new ATOM 1387 N SER A 93 -15.701 -6.758 0.608 1.00 0.00 N ATOM 1388 CA SER A 93 -16.646 -7.734 0.079 1.00 0.00 C ATOM 1389 C SER A 93 -15.939 -8.742 -0.822 1.00 0.00 C ATOM 1390 O SER A 93 -16.261 -9.930 -0.815 1.00 0.00 O ATOM 1391 CB SER A 93 -17.758 -7.029 -0.700 1.00 0.00 C ATOM 1392 OG SER A 93 -17.226 -6.256 -1.762 1.00 0.00 O ATOM 0 H SER A 93 -15.789 -5.825 0.205 1.00 0.00 H new ATOM 0 HA SER A 93 -17.085 -8.270 0.920 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.453 -7.769 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.326 -6.386 -0.028 1.00 0.00 H new ATOM 0 HG SER A 93 -17.957 -5.817 -2.245 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.974 -8.258 -1.597 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.220 -9.116 -2.504 1.00 0.00 C ATOM 1400 C VAL A 94 -13.348 -10.100 -1.732 1.00 0.00 C ATOM 1401 O VAL A 94 -12.947 -9.834 -0.600 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.328 -8.288 -3.448 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.144 -7.706 -2.690 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.858 -9.138 -4.618 1.00 0.00 C ATOM 0 H VAL A 94 -14.696 -7.277 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.949 -9.668 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.917 -7.461 -3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.525 -7.124 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.506 -7.061 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.552 -8.515 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.229 -8.537 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.286 -9.987 -4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.722 -9.500 -5.175 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.058 -11.239 -2.353 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.235 -12.246 -1.710 1.00 0.00 C ATOM 1416 C GLY A 95 -10.753 -11.967 -1.862 1.00 0.00 C ATOM 1417 O GLY A 95 -9.952 -12.361 -1.015 1.00 0.00 O ATOM 0 H GLY A 95 -13.379 -11.482 -3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.486 -12.293 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.463 -13.223 -2.136 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.388 -11.287 -2.944 1.00 0.00 N ATOM 1422 CA GLU A 96 -8.991 -10.959 -3.204 1.00 0.00 C ATOM 1423 C GLU A 96 -8.861 -10.077 -4.443 1.00 0.00 C ATOM 1424 O GLU A 96 -9.510 -10.300 -5.465 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.169 -12.237 -3.386 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.705 -11.979 -3.697 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.080 -13.086 -4.525 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.834 -13.819 -5.198 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -4.839 -13.218 -4.499 1.00 0.00 O ATOM 0 H GLU A 96 -11.039 -10.953 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.608 -10.408 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.239 -12.836 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.604 -12.827 -4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.612 -11.034 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.152 -11.873 -2.763 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.004 -9.050 -4.350 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.768 -8.113 -5.452 1.00 0.00 C ATOM 1438 C PRO A 97 -7.020 -8.760 -6.613 1.00 0.00 C ATOM 1439 O PRO A 97 -6.453 -9.844 -6.471 1.00 0.00 O ATOM 1440 CB PRO A 97 -6.914 -7.017 -4.810 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.233 -7.688 -3.667 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.198 -8.724 -3.161 1.00 0.00 C ATOM 0 HA PRO A 97 -8.700 -7.748 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.192 -6.612 -5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.529 -6.184 -4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.298 -8.148 -3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.985 -6.971 -2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.679 -9.601 -2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.816 -8.336 -2.351 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.022 -8.089 -7.759 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.341 -8.598 -8.944 1.00 0.00 C ATOM 1452 C ASP A 98 -4.880 -8.160 -8.962 1.00 0.00 C ATOM 1453 O ASP A 98 -4.571 -6.983 -8.779 1.00 0.00 O ATOM 1454 CB ASP A 98 -7.047 -8.113 -10.211 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.635 -8.899 -11.440 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.419 -9.109 -11.629 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.528 -9.303 -12.214 1.00 0.00 O ATOM 0 H ASP A 98 -7.487 -7.191 -7.893 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.374 -9.687 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.126 -8.194 -10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.824 -7.058 -10.367 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.984 -9.116 -9.183 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.555 -8.831 -9.225 1.00 0.00 C ATOM 1464 C LYS A 99 -2.275 -7.572 -10.039 1.00 0.00 C ATOM 1465 O LYS A 99 -1.766 -6.581 -9.514 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.795 -10.017 -9.823 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.290 -9.813 -9.873 1.00 0.00 C ATOM 1468 CD LYS A 99 0.320 -9.826 -8.481 1.00 0.00 C ATOM 1469 CE LYS A 99 0.525 -11.245 -7.975 1.00 0.00 C ATOM 1470 NZ LYS A 99 1.823 -11.815 -8.433 1.00 0.00 N ATOM 0 H LYS A 99 -4.223 -10.096 -9.336 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.213 -8.666 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.013 -10.910 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.162 -10.201 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.165 -10.597 -10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.066 -8.864 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.276 -9.303 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.329 -9.284 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.490 -11.251 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.292 -11.877 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.925 -12.783 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.847 -11.833 -9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.604 -11.227 -8.079 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.612 -7.616 -11.323 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.398 -6.478 -12.210 1.00 0.00 C ATOM 1486 C LEU A 100 -2.844 -5.179 -11.546 1.00 0.00 C ATOM 1487 O LEU A 100 -2.024 -4.314 -11.238 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.157 -6.679 -13.523 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.667 -7.821 -14.414 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.665 -8.095 -15.528 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.297 -7.496 -14.991 1.00 0.00 C ATOM 0 H LEU A 100 -3.035 -8.428 -11.773 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.331 -6.409 -12.421 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.207 -6.852 -13.289 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.106 -5.752 -14.094 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.579 -8.720 -13.804 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.299 -8.911 -16.152 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.626 -8.372 -15.095 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.786 -7.199 -16.137 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.964 -8.319 -15.623 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.360 -6.585 -15.586 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.585 -7.351 -14.178 1.00 0.00 H new ATOM 1503 N SER A 101 -4.149 -5.050 -11.325 1.00 0.00 N ATOM 1504 CA SER A 101 -4.704 -3.856 -10.699 1.00 0.00 C ATOM 1505 C SER A 101 -3.849 -3.417 -9.514 1.00 0.00 C ATOM 1506 O SER A 101 -3.402 -2.273 -9.448 1.00 0.00 O ATOM 1507 CB SER A 101 -6.139 -4.117 -10.238 1.00 0.00 C ATOM 1508 OG SER A 101 -6.161 -4.896 -9.054 1.00 0.00 O ATOM 0 H SER A 101 -4.841 -5.758 -11.570 1.00 0.00 H new ATOM 0 HA SER A 101 -4.707 -3.056 -11.439 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.646 -3.168 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.689 -4.631 -11.026 1.00 0.00 H new ATOM 0 HG SER A 101 -5.729 -5.759 -9.222 1.00 0.00 H new ATOM 1514 N MET A 102 -3.626 -4.336 -8.580 1.00 0.00 N ATOM 1515 CA MET A 102 -2.824 -4.045 -7.398 1.00 0.00 C ATOM 1516 C MET A 102 -1.461 -3.484 -7.790 1.00 0.00 C ATOM 1517 O MET A 102 -1.145 -2.331 -7.494 1.00 0.00 O ATOM 1518 CB MET A 102 -2.644 -5.308 -6.553 1.00 0.00 C ATOM 1519 CG MET A 102 -3.915 -5.754 -5.849 1.00 0.00 C ATOM 1520 SD MET A 102 -4.430 -4.609 -4.555 1.00 0.00 S ATOM 1521 CE MET A 102 -3.144 -4.872 -3.337 1.00 0.00 C ATOM 0 H MET A 102 -3.990 -5.288 -8.619 1.00 0.00 H new ATOM 0 HA MET A 102 -3.351 -3.294 -6.809 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.290 -6.116 -7.193 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.869 -5.129 -5.808 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.716 -5.853 -6.582 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.758 -6.741 -5.414 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.057 -3.990 -2.703 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.396 -5.737 -2.723 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.195 -5.050 -3.843 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.657 -4.305 -8.458 1.00 0.00 N ATOM 1532 CA VAL A 103 0.671 -3.890 -8.892 1.00 0.00 C ATOM 1533 C VAL A 103 0.642 -2.486 -9.486 1.00 0.00 C ATOM 1534 O VAL A 103 1.367 -1.598 -9.041 1.00 0.00 O ATOM 1535 CB VAL A 103 1.252 -4.864 -9.934 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.554 -4.323 -10.504 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.461 -6.239 -9.318 1.00 0.00 C ATOM 0 H VAL A 103 -0.903 -5.262 -8.710 1.00 0.00 H new ATOM 0 HA VAL A 103 1.308 -3.894 -8.007 1.00 0.00 H new ATOM 0 HB VAL A 103 0.538 -4.961 -10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.949 -5.025 -11.238 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.370 -3.362 -10.984 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.278 -4.194 -9.699 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.872 -6.915 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.155 -6.161 -8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.506 -6.628 -8.963 1.00 0.00 H new ATOM 1547 N MET A 104 -0.203 -2.294 -10.494 1.00 0.00 N ATOM 1548 CA MET A 104 -0.328 -0.997 -11.149 1.00 0.00 C ATOM 1549 C MET A 104 -0.646 0.096 -10.133 1.00 0.00 C ATOM 1550 O MET A 104 0.184 0.963 -9.859 1.00 0.00 O ATOM 1551 CB MET A 104 -1.419 -1.046 -12.220 1.00 0.00 C ATOM 1552 CG MET A 104 -1.192 -2.123 -13.269 1.00 0.00 C ATOM 1553 SD MET A 104 -2.579 -2.284 -14.410 1.00 0.00 S ATOM 1554 CE MET A 104 -2.788 -0.584 -14.932 1.00 0.00 C ATOM 0 H MET A 104 -0.811 -3.019 -10.875 1.00 0.00 H new ATOM 0 HA MET A 104 0.626 -0.763 -11.622 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.382 -1.216 -11.739 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.476 -0.076 -12.713 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.288 -1.891 -13.832 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.022 -3.078 -12.773 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.262 -0.560 -15.913 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.416 -0.057 -14.213 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.814 -0.098 -14.988 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.852 0.049 -9.578 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.280 1.037 -8.595 1.00 0.00 C ATOM 1566 C TYR A 105 -1.157 1.346 -7.609 1.00 0.00 C ATOM 1567 O TYR A 105 -0.745 2.498 -7.461 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.512 0.535 -7.839 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.808 1.314 -6.578 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.565 2.478 -6.618 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.331 0.886 -5.345 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.837 3.194 -5.468 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -3.599 1.594 -4.190 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.352 2.747 -4.257 1.00 0.00 C ATOM 1575 OH TYR A 105 -4.622 3.457 -3.109 1.00 0.00 O ATOM 0 H TYR A 105 -2.550 -0.663 -9.792 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.536 1.953 -9.127 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.378 0.585 -8.499 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.368 -0.514 -7.582 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.948 2.830 -7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.740 -0.016 -5.289 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.426 4.098 -5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.221 1.247 -3.240 1.00 0.00 H new ATOM 0 HH TYR A 105 -3.843 4.002 -2.871 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.666 0.311 -6.938 1.00 0.00 N ATOM 1586 CA LEU A 106 0.411 0.470 -5.966 1.00 0.00 C ATOM 1587 C LEU A 106 1.594 1.211 -6.581 1.00 0.00 C ATOM 1588 O LEU A 106 2.046 2.228 -6.055 1.00 0.00 O ATOM 1589 CB LEU A 106 0.863 -0.896 -5.448 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.138 -1.645 -4.567 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.203 -3.126 -4.512 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.165 -1.050 -3.167 1.00 0.00 C ATOM 0 H LEU A 106 -0.996 -0.648 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 106 0.031 1.060 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.104 -1.525 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.785 -0.761 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.130 -1.538 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.520 -3.643 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.171 -3.544 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.203 -3.254 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.883 -1.595 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.826 -1.126 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.458 -0.002 -3.223 1.00 0.00 H new ATOM 1604 N THR A 107 2.092 0.694 -7.700 1.00 0.00 N ATOM 1605 CA THR A 107 3.222 1.306 -8.388 1.00 0.00 C ATOM 1606 C THR A 107 3.192 2.824 -8.251 1.00 0.00 C ATOM 1607 O THR A 107 4.218 3.453 -7.992 1.00 0.00 O ATOM 1608 CB THR A 107 3.237 0.938 -9.883 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.348 -0.482 -10.037 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.391 1.622 -10.598 1.00 0.00 C ATOM 0 H THR A 107 1.730 -0.147 -8.149 1.00 0.00 H new ATOM 0 HA THR A 107 4.125 0.918 -7.917 1.00 0.00 H new ATOM 0 HB THR A 107 2.302 1.280 -10.327 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.458 -0.866 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.380 1.346 -11.653 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.288 2.703 -10.504 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.334 1.308 -10.150 1.00 0.00 H new ATOM 1618 N GLN A 108 2.010 3.406 -8.425 1.00 0.00 N ATOM 1619 CA GLN A 108 1.849 4.852 -8.320 1.00 0.00 C ATOM 1620 C GLN A 108 2.528 5.386 -7.064 1.00 0.00 C ATOM 1621 O GLN A 108 3.289 6.352 -7.120 1.00 0.00 O ATOM 1622 CB GLN A 108 0.364 5.220 -8.307 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.330 4.994 -9.640 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.691 5.660 -9.710 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.725 4.939 -9.291 1.00 0.00 O flip ATOM 1626 NE2 GLN A 108 -1.812 6.809 -10.136 1.00 0.00 N flip ATOM 0 H GLN A 108 1.151 2.900 -8.639 1.00 0.00 H new ATOM 0 HA GLN A 108 2.323 5.309 -9.189 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.141 4.633 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.260 6.268 -8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.300 5.378 -10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.445 3.923 -9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.990 7.327 -10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.734 7.243 -10.177 1.00 0.00 H new ATOM 1635 N PHE A 109 2.248 4.751 -5.930 1.00 0.00 N ATOM 1636 CA PHE A 109 2.831 5.164 -4.659 1.00 0.00 C ATOM 1637 C PHE A 109 4.351 5.033 -4.690 1.00 0.00 C ATOM 1638 O PHE A 109 5.068 5.852 -4.113 1.00 0.00 O ATOM 1639 CB PHE A 109 2.259 4.324 -3.515 1.00 0.00 C ATOM 1640 CG PHE A 109 0.835 4.662 -3.178 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.209 4.150 -3.931 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.540 5.491 -2.107 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.521 4.460 -3.623 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -0.769 5.804 -1.794 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.801 5.287 -2.553 1.00 0.00 C ATOM 0 H PHE A 109 1.621 3.949 -5.866 1.00 0.00 H new ATOM 0 HA PHE A 109 2.577 6.211 -4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.320 3.269 -3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.877 4.464 -2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.004 3.502 -4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.343 5.897 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.326 4.056 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -0.985 6.452 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.825 5.529 -2.310 1.00 0.00 H new ATOM 1655 N TYR A 110 4.836 3.997 -5.366 1.00 0.00 N ATOM 1656 CA TYR A 110 6.270 3.756 -5.470 1.00 0.00 C ATOM 1657 C TYR A 110 6.943 4.832 -6.316 1.00 0.00 C ATOM 1658 O TYR A 110 7.876 5.497 -5.866 1.00 0.00 O ATOM 1659 CB TYR A 110 6.534 2.376 -6.076 1.00 0.00 C ATOM 1660 CG TYR A 110 7.838 2.288 -6.836 1.00 0.00 C ATOM 1661 CD1 TYR A 110 7.896 2.587 -8.191 1.00 0.00 C ATOM 1662 CD2 TYR A 110 9.012 1.905 -6.199 1.00 0.00 C ATOM 1663 CE1 TYR A 110 9.085 2.507 -8.890 1.00 0.00 C ATOM 1664 CE2 TYR A 110 10.205 1.824 -6.889 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.237 2.125 -8.235 1.00 0.00 C ATOM 1666 OH TYR A 110 11.424 2.044 -8.926 1.00 0.00 O ATOM 0 H TYR A 110 4.257 3.311 -5.850 1.00 0.00 H new ATOM 0 HA TYR A 110 6.692 3.792 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.537 1.633 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.714 2.120 -6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 110 6.996 2.887 -8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.991 1.667 -5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.112 2.742 -9.944 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.109 1.527 -6.378 1.00 0.00 H new ATOM 0 HH TYR A 110 12.138 1.762 -8.317 1.00 0.00 H new ATOM 1676 N GLU A 111 6.462 4.998 -7.544 1.00 0.00 N ATOM 1677 CA GLU A 111 7.017 5.993 -8.454 1.00 0.00 C ATOM 1678 C GLU A 111 6.924 7.392 -7.851 1.00 0.00 C ATOM 1679 O GLU A 111 7.614 8.314 -8.287 1.00 0.00 O ATOM 1680 CB GLU A 111 6.284 5.955 -9.796 1.00 0.00 C ATOM 1681 CG GLU A 111 6.689 4.784 -10.677 1.00 0.00 C ATOM 1682 CD GLU A 111 6.224 4.946 -12.111 1.00 0.00 C ATOM 1683 OE1 GLU A 111 5.081 5.404 -12.317 1.00 0.00 O ATOM 1684 OE2 GLU A 111 7.004 4.613 -13.028 1.00 0.00 O ATOM 0 H GLU A 111 5.689 4.456 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 111 8.068 5.754 -8.616 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.211 5.907 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.475 6.885 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.774 4.679 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.274 3.864 -10.266 1.00 0.00 H new ATOM 1691 N MET A 112 6.066 7.543 -6.848 1.00 0.00 N ATOM 1692 CA MET A 112 5.883 8.829 -6.186 1.00 0.00 C ATOM 1693 C MET A 112 6.872 8.994 -5.036 1.00 0.00 C ATOM 1694 O MET A 112 7.197 10.113 -4.639 1.00 0.00 O ATOM 1695 CB MET A 112 4.450 8.959 -5.664 1.00 0.00 C ATOM 1696 CG MET A 112 4.162 10.299 -5.007 1.00 0.00 C ATOM 1697 SD MET A 112 3.594 11.542 -6.184 1.00 0.00 S ATOM 1698 CE MET A 112 1.854 11.629 -5.771 1.00 0.00 C ATOM 0 H MET A 112 5.486 6.791 -6.476 1.00 0.00 H new ATOM 0 HA MET A 112 6.068 9.616 -6.917 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.756 8.813 -6.492 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.260 8.163 -4.944 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.406 10.165 -4.233 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.064 10.658 -4.512 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.306 12.079 -6.599 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.473 10.625 -5.586 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.722 12.237 -4.876 1.00 0.00 H new ATOM 1708 N PHE A 113 7.347 7.872 -4.505 1.00 0.00 N ATOM 1709 CA PHE A 113 8.298 7.893 -3.400 1.00 0.00 C ATOM 1710 C PHE A 113 9.562 7.116 -3.756 1.00 0.00 C ATOM 1711 O PHE A 113 10.332 6.725 -2.878 1.00 0.00 O ATOM 1712 CB PHE A 113 7.661 7.302 -2.140 1.00 0.00 C ATOM 1713 CG PHE A 113 6.505 8.108 -1.619 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.598 9.486 -1.507 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.325 7.487 -1.242 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.536 10.229 -1.027 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.260 8.225 -0.762 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.365 9.598 -0.655 1.00 0.00 C ATOM 0 H PHE A 113 7.089 6.937 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 113 8.572 8.931 -3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.320 6.289 -2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.420 7.224 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.511 9.985 -1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.237 6.414 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.622 11.302 -0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.346 7.729 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.533 10.177 -0.281 1.00 0.00 H new ATOM 1728 N LYS A 114 9.769 6.896 -5.049 1.00 0.00 N ATOM 1729 CA LYS A 114 10.940 6.167 -5.524 1.00 0.00 C ATOM 1730 C LYS A 114 12.192 7.035 -5.441 1.00 0.00 C ATOM 1731 O LYS A 114 13.265 6.558 -5.073 1.00 0.00 O ATOM 1732 CB LYS A 114 10.725 5.699 -6.965 1.00 0.00 C ATOM 1733 CG LYS A 114 10.749 6.828 -7.981 1.00 0.00 C ATOM 1734 CD LYS A 114 10.528 6.313 -9.393 1.00 0.00 C ATOM 1735 CE LYS A 114 11.840 5.930 -10.060 1.00 0.00 C ATOM 1736 NZ LYS A 114 11.731 5.937 -11.545 1.00 0.00 N ATOM 0 H LYS A 114 9.141 7.212 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 114 11.080 5.297 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.497 4.974 -7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.768 5.182 -7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.977 7.557 -7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.706 7.346 -7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.866 5.447 -9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.027 7.078 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 114 12.621 6.624 -9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.143 4.939 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.646 5.671 -11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.004 5.256 -11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.467 6.889 -11.869 1.00 0.00 H new ATOM 1750 N ASP A 115 12.046 8.309 -5.785 1.00 0.00 N ATOM 1751 CA ASP A 115 13.165 9.244 -5.747 1.00 0.00 C ATOM 1752 C ASP A 115 13.517 9.612 -4.309 1.00 0.00 C ATOM 1753 O ASP A 115 14.686 9.605 -3.925 1.00 0.00 O ATOM 1754 CB ASP A 115 12.829 10.507 -6.542 1.00 0.00 C ATOM 1755 CG ASP A 115 11.420 11.000 -6.277 1.00 0.00 C ATOM 1756 OD1 ASP A 115 10.469 10.400 -6.822 1.00 0.00 O ATOM 1757 OD2 ASP A 115 11.268 11.985 -5.525 1.00 0.00 O ATOM 0 H ASP A 115 11.164 8.719 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 115 14.029 8.757 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.540 11.293 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.946 10.305 -7.607 1.00 0.00 H new ATOM 1762 N SER A 116 12.498 9.934 -3.519 1.00 0.00 N ATOM 1763 CA SER A 116 12.700 10.309 -2.125 1.00 0.00 C ATOM 1764 C SER A 116 13.834 9.499 -1.503 1.00 0.00 C ATOM 1765 O SER A 116 13.921 8.286 -1.690 1.00 0.00 O ATOM 1766 CB SER A 116 11.412 10.101 -1.326 1.00 0.00 C ATOM 1767 OG SER A 116 11.377 10.942 -0.186 1.00 0.00 O ATOM 0 H SER A 116 11.524 9.943 -3.821 1.00 0.00 H new ATOM 0 HA SER A 116 12.971 11.364 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.550 10.307 -1.960 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.337 9.059 -1.015 1.00 0.00 H new ATOM 0 HG SER A 116 10.543 10.791 0.306 1.00 0.00 H new ATOM 1773 N GLY A 117 14.702 10.180 -0.761 1.00 0.00 N ATOM 1774 CA GLY A 117 15.819 9.509 -0.123 1.00 0.00 C ATOM 1775 C GLY A 117 17.159 10.033 -0.599 1.00 0.00 C ATOM 1776 O GLY A 117 17.329 10.398 -1.763 1.00 0.00 O ATOM 0 H GLY A 117 14.651 11.184 -0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.746 9.636 0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 117 15.759 8.439 -0.323 1.00 0.00 H new ATOM 1780 N PRO A 118 18.141 10.078 0.314 1.00 0.00 N ATOM 1781 CA PRO A 118 19.489 10.561 0.004 1.00 0.00 C ATOM 1782 C PRO A 118 20.251 9.608 -0.910 1.00 0.00 C ATOM 1783 O PRO A 118 21.372 9.896 -1.328 1.00 0.00 O ATOM 1784 CB PRO A 118 20.163 10.637 1.377 1.00 0.00 C ATOM 1785 CG PRO A 118 19.429 9.648 2.215 1.00 0.00 C ATOM 1786 CD PRO A 118 18.009 9.659 1.720 1.00 0.00 C ATOM 0 HA PRO A 118 19.468 11.511 -0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 118 21.223 10.391 1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 118 20.094 11.640 1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 118 19.868 8.655 2.120 1.00 0.00 H new ATOM 0 HG3 PRO A 118 19.477 9.918 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 118 17.546 8.676 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 118 17.390 10.352 2.290 1.00 0.00 H new ATOM 1794 N SER A 119 19.634 8.471 -1.218 1.00 0.00 N ATOM 1795 CA SER A 119 20.256 7.473 -2.081 1.00 0.00 C ATOM 1796 C SER A 119 19.247 6.915 -3.080 1.00 0.00 C ATOM 1797 O SER A 119 18.076 7.294 -3.074 1.00 0.00 O ATOM 1798 CB SER A 119 20.842 6.337 -1.242 1.00 0.00 C ATOM 1799 OG SER A 119 19.892 5.847 -0.311 1.00 0.00 O ATOM 0 H SER A 119 18.704 8.218 -0.883 1.00 0.00 H new ATOM 0 HA SER A 119 21.060 7.957 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 119 21.166 5.527 -1.896 1.00 0.00 H new ATOM 0 HB3 SER A 119 21.726 6.691 -0.712 1.00 0.00 H new ATOM 0 HG SER A 119 20.291 5.120 0.212 1.00 0.00 H new ATOM 1805 N SER A 120 19.711 6.012 -3.938 1.00 0.00 N ATOM 1806 CA SER A 120 18.852 5.403 -4.947 1.00 0.00 C ATOM 1807 C SER A 120 19.278 3.965 -5.227 1.00 0.00 C ATOM 1808 O SER A 120 20.462 3.635 -5.174 1.00 0.00 O ATOM 1809 CB SER A 120 18.890 6.220 -6.240 1.00 0.00 C ATOM 1810 OG SER A 120 17.756 5.951 -7.046 1.00 0.00 O ATOM 0 H SER A 120 20.677 5.686 -3.955 1.00 0.00 H new ATOM 0 HA SER A 120 17.832 5.393 -4.562 1.00 0.00 H new ATOM 0 HB2 SER A 120 18.927 7.283 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 120 19.798 5.986 -6.795 1.00 0.00 H new ATOM 0 HG SER A 120 17.803 6.486 -7.866 1.00 0.00 H new ATOM 1816 N GLY A 121 18.302 3.113 -5.527 1.00 0.00 N ATOM 1817 CA GLY A 121 18.595 1.721 -5.811 1.00 0.00 C ATOM 1818 C GLY A 121 18.946 1.488 -7.268 1.00 0.00 C ATOM 1819 O GLY A 121 18.065 1.255 -8.096 1.00 0.00 O ATOM 0 H GLY A 121 17.314 3.362 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 121 19.423 1.392 -5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 121 17.732 1.110 -5.546 1.00 0.00 H new TER 1823 GLY A 121