USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 780 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 48 TYR OH : rot 14:sc= 0.00726 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.00705 X(o=0.014,f=-0.15) USER MOD Single : A 4 MET CE :methyl 140:sc= -0.932 (180deg=-2.6) USER MOD Single : A 6 LYS NZ :NH3+ -147:sc= -1.34 (180deg=-2.78!) USER MOD Single : A 11 LYS NZ :NH3+ -115:sc= 0.568 (180deg=-0.0814) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -17:sc= 0.349 USER MOD Single : A 20 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-0.93) USER MOD Single : A 23 SER OG : rot 36:sc= 0.986 USER MOD Single : A 24 MET CE :methyl -157:sc= -0.112 (180deg=-0.64) USER MOD Single : A 29 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.15) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 MET CE :methyl 163:sc= -0.0537 (180deg=-0.392) USER MOD Single : A 36 CYS SG : rot 180:sc= 0.00854 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 45 GLN : amide:sc= 0.438 K(o=0.44,f=-2.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -78:sc= 0.34 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -76:sc= 0.686 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.142 F(o=-1.6,f=-0.14) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -125:sc= -0.176 (180deg=-2.89!) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= -0.896 (180deg=-0.949) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc=-0.00378 (180deg=-0.168) USER MOD Single : A 100 THR OG1 : rot -75:sc= 0.659 USER MOD Single : A 102 LYS NZ :NH3+ 169:sc= -0.0334 (180deg=-0.162) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 10.147 14.485 -4.701 1.00 0.00 N ATOM 21 CA GLY A 2 11.570 14.291 -4.464 1.00 0.00 C ATOM 22 C GLY A 2 11.872 12.930 -3.851 1.00 0.00 C ATOM 23 O GLY A 2 10.941 12.189 -3.533 1.00 0.00 O ATOM 0 HA2 GLY A 2 12.110 14.391 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.936 15.075 -3.801 1.00 0.00 H new ATOM 27 N PRO A 3 13.168 12.563 -3.672 1.00 0.00 N ATOM 28 CA PRO A 3 13.544 11.278 -3.093 1.00 0.00 C ATOM 29 C PRO A 3 13.444 11.269 -1.567 1.00 0.00 C ATOM 30 O PRO A 3 14.087 12.070 -0.882 1.00 0.00 O ATOM 31 CB PRO A 3 14.993 11.067 -3.544 1.00 0.00 C ATOM 32 CG PRO A 3 15.446 12.340 -4.185 1.00 0.00 C ATOM 33 CD PRO A 3 14.357 13.360 -4.016 1.00 0.00 C ATOM 0 HA PRO A 3 12.874 10.484 -3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.628 10.817 -2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.060 10.237 -4.247 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.370 12.690 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.657 12.180 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.599 14.075 -3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.202 13.933 -4.930 1.00 0.00 H new ATOM 41 N MET A 4 12.628 10.349 -1.054 1.00 0.00 N ATOM 42 CA MET A 4 12.410 10.197 0.383 1.00 0.00 C ATOM 43 C MET A 4 12.373 8.680 0.729 1.00 0.00 C ATOM 44 O MET A 4 12.523 7.871 -0.191 1.00 0.00 O ATOM 45 CB MET A 4 11.124 10.967 0.795 1.00 0.00 C ATOM 46 CG MET A 4 9.803 10.321 0.394 1.00 0.00 C ATOM 47 SD MET A 4 9.553 10.247 -1.385 1.00 0.00 S ATOM 48 CE MET A 4 9.436 8.481 -1.589 1.00 0.00 C ATOM 0 H MET A 4 12.100 9.688 -1.624 1.00 0.00 H new ATOM 0 HA MET A 4 13.226 10.633 0.959 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.131 11.093 1.878 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.166 11.965 0.358 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.763 9.311 0.801 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.983 10.879 0.845 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.656 8.249 -2.315 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.390 8.092 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.190 8.020 -0.633 1.00 0.00 H new ATOM 58 N PRO A 5 12.209 8.249 2.033 1.00 0.00 N ATOM 59 CA PRO A 5 12.197 6.814 2.408 1.00 0.00 C ATOM 60 C PRO A 5 11.308 5.943 1.520 1.00 0.00 C ATOM 61 O PRO A 5 10.270 6.386 1.022 1.00 0.00 O ATOM 62 CB PRO A 5 11.658 6.822 3.832 1.00 0.00 C ATOM 63 CG PRO A 5 12.086 8.130 4.386 1.00 0.00 C ATOM 64 CD PRO A 5 12.054 9.101 3.237 1.00 0.00 C ATOM 0 HA PRO A 5 13.192 6.382 2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.573 6.722 3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.062 5.994 4.414 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.419 8.451 5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.087 8.064 4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.117 9.658 3.213 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.858 9.833 3.312 1.00 0.00 H new ATOM 72 N LYS A 6 11.748 4.700 1.327 1.00 0.00 N ATOM 73 CA LYS A 6 11.038 3.731 0.495 1.00 0.00 C ATOM 74 C LYS A 6 10.030 2.908 1.299 1.00 0.00 C ATOM 75 O LYS A 6 9.296 2.109 0.719 1.00 0.00 O ATOM 76 CB LYS A 6 12.033 2.783 -0.196 1.00 0.00 C ATOM 77 CG LYS A 6 12.888 3.432 -1.288 1.00 0.00 C ATOM 78 CD LYS A 6 14.048 4.269 -0.741 1.00 0.00 C ATOM 79 CE LYS A 6 15.253 3.417 -0.343 1.00 0.00 C ATOM 80 NZ LYS A 6 14.999 2.595 0.873 1.00 0.00 N ATOM 0 H LYS A 6 12.606 4.337 1.743 1.00 0.00 H new ATOM 0 HA LYS A 6 10.488 4.301 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.695 2.360 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.478 1.953 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.288 2.652 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.253 4.066 -1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.354 4.995 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.706 4.835 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.518 2.760 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.110 4.067 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.881 2.495 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.281 3.061 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.657 1.654 0.591 1.00 0.00 H new ATOM 94 N LEU A 7 10.015 3.107 2.631 1.00 0.00 N ATOM 95 CA LEU A 7 9.113 2.390 3.569 1.00 0.00 C ATOM 96 C LEU A 7 9.525 0.923 3.782 1.00 0.00 C ATOM 97 O LEU A 7 9.409 0.408 4.896 1.00 0.00 O ATOM 98 CB LEU A 7 7.616 2.443 3.146 1.00 0.00 C ATOM 99 CG LEU A 7 6.873 3.800 3.263 1.00 0.00 C ATOM 100 CD1 LEU A 7 7.161 4.498 4.590 1.00 0.00 C ATOM 101 CD2 LEU A 7 7.188 4.710 2.085 1.00 0.00 C ATOM 0 H LEU A 7 10.631 3.774 3.095 1.00 0.00 H new ATOM 0 HA LEU A 7 9.220 2.928 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.550 2.115 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.073 1.713 3.746 1.00 0.00 H new ATOM 0 HG LEU A 7 5.806 3.580 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.620 5.444 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.838 3.861 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.231 4.688 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.651 5.652 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.260 4.905 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.879 4.226 1.159 1.00 0.00 H new ATOM 113 N ALA A 8 9.988 0.251 2.718 1.00 0.00 N ATOM 114 CA ALA A 8 10.393 -1.151 2.797 1.00 0.00 C ATOM 115 C ALA A 8 11.520 -1.460 1.806 1.00 0.00 C ATOM 116 O ALA A 8 12.097 -0.548 1.210 1.00 0.00 O ATOM 117 CB ALA A 8 9.190 -2.048 2.533 1.00 0.00 C ATOM 0 H ALA A 8 10.090 0.663 1.790 1.00 0.00 H new ATOM 0 HA ALA A 8 10.773 -1.345 3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.495 -3.093 2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.419 -1.852 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.794 -1.842 1.539 1.00 0.00 H new ATOM 123 N ASP A 9 11.825 -2.753 1.639 1.00 0.00 N ATOM 124 CA ASP A 9 12.880 -3.194 0.726 1.00 0.00 C ATOM 125 C ASP A 9 12.347 -4.197 -0.303 1.00 0.00 C ATOM 126 O ASP A 9 12.698 -4.126 -1.484 1.00 0.00 O ATOM 127 CB ASP A 9 14.059 -3.793 1.512 1.00 0.00 C ATOM 128 CG ASP A 9 13.643 -4.856 2.519 1.00 0.00 C ATOM 129 OD1 ASP A 9 12.886 -4.529 3.459 1.00 0.00 O ATOM 130 OD2 ASP A 9 14.086 -6.013 2.376 1.00 0.00 O ATOM 0 H ASP A 9 11.352 -3.513 2.128 1.00 0.00 H new ATOM 0 HA ASP A 9 13.236 -2.320 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.769 -4.228 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.580 -2.992 2.036 1.00 0.00 H new ATOM 135 N ARG A 10 11.494 -5.120 0.149 1.00 0.00 N ATOM 136 CA ARG A 10 10.900 -6.134 -0.730 1.00 0.00 C ATOM 137 C ARG A 10 9.372 -6.087 -0.669 1.00 0.00 C ATOM 138 O ARG A 10 8.791 -5.700 0.352 1.00 0.00 O ATOM 139 CB ARG A 10 11.384 -7.545 -0.358 1.00 0.00 C ATOM 140 CG ARG A 10 12.651 -8.008 -1.076 1.00 0.00 C ATOM 141 CD ARG A 10 13.908 -7.337 -0.542 1.00 0.00 C ATOM 142 NE ARG A 10 15.117 -7.827 -1.206 1.00 0.00 N ATOM 143 CZ ARG A 10 16.355 -7.407 -0.925 1.00 0.00 C ATOM 144 NH1 ARG A 10 16.568 -6.486 0.010 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.386 -7.916 -1.585 1.00 0.00 N ATOM 0 H ARG A 10 11.198 -5.187 1.123 1.00 0.00 H new ATOM 0 HA ARG A 10 11.222 -5.908 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.561 -7.579 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.584 -8.254 -0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.749 -9.089 -0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.557 -7.798 -2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.830 -6.259 -0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.986 -7.515 0.530 1.00 0.00 H new ATOM 0 HE ARG A 10 15.008 -8.536 -1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.781 -6.090 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.518 -6.176 0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.233 -8.624 -2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.333 -7.599 -1.375 1.00 0.00 H new ATOM 159 N LYS A 11 8.736 -6.482 -1.774 1.00 0.00 N ATOM 160 CA LYS A 11 7.278 -6.495 -1.883 1.00 0.00 C ATOM 161 C LYS A 11 6.781 -7.864 -2.356 1.00 0.00 C ATOM 162 O LYS A 11 7.582 -8.730 -2.715 1.00 0.00 O ATOM 163 CB LYS A 11 6.825 -5.393 -2.850 1.00 0.00 C ATOM 164 CG LYS A 11 7.446 -5.502 -4.236 1.00 0.00 C ATOM 165 CD LYS A 11 7.300 -4.213 -5.021 1.00 0.00 C ATOM 166 CE LYS A 11 7.977 -4.304 -6.382 1.00 0.00 C ATOM 167 NZ LYS A 11 7.323 -5.308 -7.267 1.00 0.00 N ATOM 0 H LYS A 11 9.217 -6.801 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 11 6.849 -6.305 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.740 -5.428 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.077 -4.422 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.503 -5.753 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.972 -6.317 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.242 -3.986 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.733 -3.390 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.954 -3.327 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.026 -4.568 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.987 -6.085 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.476 -5.686 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.049 -4.855 -8.163 1.00 0.00 H new ATOM 181 N LEU A 12 5.457 -8.049 -2.358 1.00 0.00 N ATOM 182 CA LEU A 12 4.851 -9.309 -2.790 1.00 0.00 C ATOM 183 C LEU A 12 3.859 -9.077 -3.925 1.00 0.00 C ATOM 184 O LEU A 12 2.884 -8.342 -3.764 1.00 0.00 O ATOM 185 CB LEU A 12 4.142 -10.006 -1.619 1.00 0.00 C ATOM 186 CG LEU A 12 5.046 -10.491 -0.476 1.00 0.00 C ATOM 187 CD1 LEU A 12 4.199 -10.966 0.696 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.971 -11.611 -0.945 1.00 0.00 C ATOM 0 H LEU A 12 4.785 -7.340 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 12 5.654 -9.952 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.405 -9.318 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.594 -10.863 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 12 5.664 -9.654 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.850 -11.308 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.580 -10.144 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.559 -11.788 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.600 -11.935 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.374 -12.452 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.601 -11.247 -1.757 1.00 0.00 H new ATOM 200 N CYS A 13 4.121 -9.714 -5.067 1.00 0.00 N ATOM 201 CA CYS A 13 3.264 -9.595 -6.244 1.00 0.00 C ATOM 202 C CYS A 13 2.765 -10.970 -6.692 1.00 0.00 C ATOM 203 O CYS A 13 3.157 -11.996 -6.126 1.00 0.00 O ATOM 204 CB CYS A 13 4.030 -8.918 -7.383 1.00 0.00 C ATOM 205 SG CYS A 13 4.652 -7.254 -6.980 1.00 0.00 S ATOM 0 H CYS A 13 4.928 -10.323 -5.201 1.00 0.00 H new ATOM 0 HA CYS A 13 2.400 -8.984 -5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.872 -9.550 -7.665 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.378 -8.849 -8.254 1.00 0.00 H new ATOM 210 N ALA A 14 1.903 -10.978 -7.715 1.00 0.00 N ATOM 211 CA ALA A 14 1.347 -12.219 -8.252 1.00 0.00 C ATOM 212 C ALA A 14 2.335 -12.896 -9.196 1.00 0.00 C ATOM 213 O ALA A 14 2.501 -14.117 -9.161 1.00 0.00 O ATOM 214 CB ALA A 14 0.030 -11.945 -8.965 1.00 0.00 C ATOM 0 H ALA A 14 1.576 -10.135 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 14 1.158 -12.896 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.371 -12.879 -9.359 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.681 -11.512 -8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.199 -11.247 -9.785 1.00 0.00 H new ATOM 220 N ASP A 15 2.992 -12.088 -10.032 1.00 0.00 N ATOM 221 CA ASP A 15 3.980 -12.587 -10.991 1.00 0.00 C ATOM 222 C ASP A 15 5.316 -11.873 -10.805 1.00 0.00 C ATOM 223 O ASP A 15 5.410 -10.906 -10.044 1.00 0.00 O ATOM 224 CB ASP A 15 3.486 -12.390 -12.432 1.00 0.00 C ATOM 225 CG ASP A 15 2.345 -13.320 -12.824 1.00 0.00 C ATOM 226 OD1 ASP A 15 1.937 -14.164 -11.997 1.00 0.00 O ATOM 227 OD2 ASP A 15 1.866 -13.208 -13.971 1.00 0.00 O ATOM 0 H ASP A 15 2.856 -11.078 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 15 4.117 -13.653 -10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.160 -11.357 -12.556 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.320 -12.545 -13.116 1.00 0.00 H new ATOM 232 N GLN A 16 6.342 -12.351 -11.518 1.00 0.00 N ATOM 233 CA GLN A 16 7.683 -11.763 -11.454 1.00 0.00 C ATOM 234 C GLN A 16 7.691 -10.366 -12.087 1.00 0.00 C ATOM 235 O GLN A 16 8.566 -9.545 -11.801 1.00 0.00 O ATOM 236 CB GLN A 16 8.688 -12.686 -12.159 1.00 0.00 C ATOM 237 CG GLN A 16 10.147 -12.298 -11.950 1.00 0.00 C ATOM 238 CD GLN A 16 11.109 -13.232 -12.660 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.079 -13.360 -13.884 1.00 0.00 O ATOM 240 NE2 GLN A 16 11.969 -13.893 -11.893 1.00 0.00 N ATOM 0 H GLN A 16 6.267 -13.148 -12.150 1.00 0.00 H new ATOM 0 HA GLN A 16 7.975 -11.659 -10.409 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.540 -13.705 -11.802 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.474 -12.688 -13.228 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.303 -11.281 -12.309 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.369 -12.297 -10.883 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.960 -13.757 -10.882 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.639 -14.536 -12.315 1.00 0.00 H new ATOM 249 N GLU A 17 6.692 -10.107 -12.936 1.00 0.00 N ATOM 250 CA GLU A 17 6.552 -8.816 -13.606 1.00 0.00 C ATOM 251 C GLU A 17 5.730 -7.856 -12.757 1.00 0.00 C ATOM 252 O GLU A 17 5.748 -6.645 -12.995 1.00 0.00 O ATOM 253 CB GLU A 17 5.869 -8.984 -14.975 1.00 0.00 C ATOM 254 CG GLU A 17 6.743 -9.633 -16.044 1.00 0.00 C ATOM 255 CD GLU A 17 7.012 -11.107 -15.792 1.00 0.00 C ATOM 256 OE1 GLU A 17 6.038 -11.891 -15.752 1.00 0.00 O ATOM 257 OE2 GLU A 17 8.195 -11.477 -15.634 1.00 0.00 O ATOM 0 H GLU A 17 5.965 -10.781 -13.175 1.00 0.00 H new ATOM 0 HA GLU A 17 7.553 -8.408 -13.749 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.969 -9.585 -14.846 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.550 -8.004 -15.330 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.260 -9.520 -17.015 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.693 -9.102 -16.097 1.00 0.00 H new ATOM 264 N CYS A 18 4.991 -8.421 -11.782 1.00 0.00 N ATOM 265 CA CYS A 18 4.116 -7.650 -10.884 1.00 0.00 C ATOM 266 C CYS A 18 3.099 -6.850 -11.708 1.00 0.00 C ATOM 267 O CYS A 18 2.650 -5.769 -11.315 1.00 0.00 O ATOM 268 CB CYS A 18 4.939 -6.734 -9.961 1.00 0.00 C ATOM 269 SG CYS A 18 4.015 -6.097 -8.523 1.00 0.00 S ATOM 0 H CYS A 18 4.986 -9.424 -11.597 1.00 0.00 H new ATOM 0 HA CYS A 18 3.571 -8.343 -10.244 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.810 -7.284 -9.604 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.311 -5.890 -10.543 1.00 0.00 H new ATOM 274 N SER A 19 2.758 -7.413 -12.869 1.00 0.00 N ATOM 275 CA SER A 19 1.817 -6.806 -13.797 1.00 0.00 C ATOM 276 C SER A 19 0.400 -7.339 -13.565 1.00 0.00 C ATOM 277 O SER A 19 -0.565 -6.854 -14.161 1.00 0.00 O ATOM 278 CB SER A 19 2.278 -7.081 -15.226 1.00 0.00 C ATOM 279 OG SER A 19 1.378 -6.542 -16.180 1.00 0.00 O ATOM 0 H SER A 19 3.132 -8.307 -13.188 1.00 0.00 H new ATOM 0 HA SER A 19 1.790 -5.729 -13.630 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.269 -6.653 -15.378 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.369 -8.156 -15.378 1.00 0.00 H new ATOM 0 HG SER A 19 0.522 -6.342 -15.746 1.00 0.00 H new ATOM 285 N HIS A 20 0.290 -8.338 -12.685 1.00 0.00 N ATOM 286 CA HIS A 20 -0.994 -8.949 -12.348 1.00 0.00 C ATOM 287 C HIS A 20 -1.548 -8.406 -11.022 1.00 0.00 C ATOM 288 O HIS A 20 -0.775 -8.090 -10.116 1.00 0.00 O ATOM 289 CB HIS A 20 -0.845 -10.471 -12.243 1.00 0.00 C ATOM 290 CG HIS A 20 -1.084 -11.236 -13.515 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.100 -12.610 -13.543 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.354 -10.836 -14.786 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.374 -13.027 -14.761 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.531 -11.971 -15.539 1.00 0.00 N ATOM 0 H HIS A 20 1.085 -8.742 -12.190 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.694 -8.697 -13.145 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.161 -10.696 -11.888 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.539 -10.835 -11.485 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.417 -9.817 -15.138 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.457 -14.058 -15.072 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.748 -11.995 -16.535 1.00 0.00 H new ATOM 303 N PRO A 21 -2.903 -8.305 -10.876 1.00 0.00 N ATOM 304 CA PRO A 21 -3.533 -7.821 -9.655 1.00 0.00 C ATOM 305 C PRO A 21 -3.857 -8.961 -8.688 1.00 0.00 C ATOM 306 O PRO A 21 -4.557 -9.914 -9.045 1.00 0.00 O ATOM 307 CB PRO A 21 -4.817 -7.161 -10.170 1.00 0.00 C ATOM 308 CG PRO A 21 -5.098 -7.774 -11.514 1.00 0.00 C ATOM 309 CD PRO A 21 -3.931 -8.664 -11.870 1.00 0.00 C ATOM 0 HA PRO A 21 -2.890 -7.146 -9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.645 -7.334 -9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.692 -6.081 -10.254 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.023 -8.350 -11.485 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.230 -6.998 -12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.198 -9.719 -11.807 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.585 -8.483 -12.888 1.00 0.00 H new ATOM 317 N ILE A 22 -3.333 -8.864 -7.467 1.00 0.00 N ATOM 318 CA ILE A 22 -3.557 -9.892 -6.454 1.00 0.00 C ATOM 319 C ILE A 22 -5.015 -9.914 -6.001 1.00 0.00 C ATOM 320 O ILE A 22 -5.712 -10.903 -6.217 1.00 0.00 O ATOM 321 CB ILE A 22 -2.636 -9.707 -5.221 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.166 -9.646 -5.663 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.853 -10.847 -4.219 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.213 -9.175 -4.582 1.00 0.00 C ATOM 0 H ILE A 22 -2.752 -8.085 -7.157 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.313 -10.845 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.889 -8.767 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.857 -10.636 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.083 -8.979 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.200 -10.704 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.892 -10.849 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.622 -11.799 -4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.804 -9.160 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.493 -8.171 -4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.264 -9.854 -3.731 1.00 0.00 H new ATOM 336 N SER A 23 -5.466 -8.830 -5.366 1.00 0.00 N ATOM 337 CA SER A 23 -6.839 -8.754 -4.876 1.00 0.00 C ATOM 338 C SER A 23 -7.468 -7.390 -5.133 1.00 0.00 C ATOM 339 O SER A 23 -6.844 -6.348 -4.913 1.00 0.00 O ATOM 340 CB SER A 23 -6.882 -9.066 -3.376 1.00 0.00 C ATOM 341 OG SER A 23 -8.196 -8.943 -2.861 1.00 0.00 O ATOM 0 H SER A 23 -4.903 -8.000 -5.181 1.00 0.00 H new ATOM 0 HA SER A 23 -7.418 -9.495 -5.426 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.514 -10.077 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.215 -8.389 -2.842 1.00 0.00 H new ATOM 0 HG SER A 23 -8.841 -9.241 -3.536 1.00 0.00 H new ATOM 347 N MET A 24 -8.725 -7.420 -5.569 1.00 0.00 N ATOM 348 CA MET A 24 -9.498 -6.216 -5.829 1.00 0.00 C ATOM 349 C MET A 24 -10.214 -5.828 -4.544 1.00 0.00 C ATOM 350 O MET A 24 -11.014 -6.605 -4.014 1.00 0.00 O ATOM 351 CB MET A 24 -10.487 -6.471 -6.965 1.00 0.00 C ATOM 352 CG MET A 24 -11.189 -5.223 -7.476 1.00 0.00 C ATOM 353 SD MET A 24 -12.698 -4.818 -6.567 1.00 0.00 S ATOM 354 CE MET A 24 -13.761 -6.192 -7.009 1.00 0.00 C ATOM 0 H MET A 24 -9.235 -8.285 -5.751 1.00 0.00 H new ATOM 0 HA MET A 24 -8.849 -5.397 -6.139 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.957 -6.941 -7.794 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.239 -7.182 -6.624 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.501 -4.379 -7.416 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.435 -5.360 -8.529 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.804 -5.901 -6.883 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.585 -6.468 -8.049 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.542 -7.044 -6.365 1.00 0.00 H new ATOM 364 N ALA A 25 -9.894 -4.649 -4.024 1.00 0.00 N ATOM 365 CA ALA A 25 -10.481 -4.188 -2.769 1.00 0.00 C ATOM 366 C ALA A 25 -11.295 -2.911 -2.931 1.00 0.00 C ATOM 367 O ALA A 25 -11.013 -2.080 -3.798 1.00 0.00 O ATOM 368 CB ALA A 25 -9.384 -3.982 -1.737 1.00 0.00 C ATOM 0 H ALA A 25 -9.235 -3.997 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.172 -4.960 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.825 -3.638 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.862 -4.924 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.677 -3.236 -2.101 1.00 0.00 H new ATOM 374 N VAL A 26 -12.305 -2.771 -2.069 1.00 0.00 N ATOM 375 CA VAL A 26 -13.183 -1.595 -2.075 1.00 0.00 C ATOM 376 C VAL A 26 -12.821 -0.654 -0.918 1.00 0.00 C ATOM 377 O VAL A 26 -12.640 -1.100 0.217 1.00 0.00 O ATOM 378 CB VAL A 26 -14.676 -2.006 -1.970 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.590 -0.789 -2.080 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.030 -3.028 -3.042 1.00 0.00 C ATOM 0 H VAL A 26 -12.537 -3.460 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.036 -1.076 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.827 -2.460 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.630 -1.107 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.364 -0.090 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.430 -0.300 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.081 -3.302 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.852 -2.598 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.411 -3.916 -2.916 1.00 0.00 H new ATOM 390 N ALA A 27 -12.707 0.645 -1.222 1.00 0.00 N ATOM 391 CA ALA A 27 -12.354 1.660 -0.221 1.00 0.00 C ATOM 392 C ALA A 27 -13.486 1.905 0.773 1.00 0.00 C ATOM 393 O ALA A 27 -14.649 2.045 0.381 1.00 0.00 O ATOM 394 CB ALA A 27 -11.979 2.958 -0.907 1.00 0.00 C ATOM 0 H ALA A 27 -12.855 1.020 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.500 1.281 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.719 3.704 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.125 2.789 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.823 3.315 -1.496 1.00 0.00 H new ATOM 400 N LEU A 28 -13.129 1.956 2.061 1.00 0.00 N ATOM 401 CA LEU A 28 -14.100 2.175 3.133 1.00 0.00 C ATOM 402 C LEU A 28 -14.098 3.621 3.638 1.00 0.00 C ATOM 403 O LEU A 28 -15.033 4.030 4.332 1.00 0.00 O ATOM 404 CB LEU A 28 -13.817 1.231 4.310 1.00 0.00 C ATOM 405 CG LEU A 28 -13.922 -0.272 4.010 1.00 0.00 C ATOM 406 CD1 LEU A 28 -13.366 -1.079 5.175 1.00 0.00 C ATOM 407 CD2 LEU A 28 -15.364 -0.676 3.720 1.00 0.00 C ATOM 0 H LEU A 28 -12.168 1.848 2.385 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.084 1.967 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.813 1.437 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.511 1.470 5.116 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.330 -0.484 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.446 -2.143 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.319 -0.818 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.935 -0.854 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.407 -1.745 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.986 -0.450 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.730 -0.122 2.855 1.00 0.00 H new ATOM 419 N GLN A 29 -13.049 4.388 3.307 1.00 0.00 N ATOM 420 CA GLN A 29 -12.955 5.784 3.759 1.00 0.00 C ATOM 421 C GLN A 29 -12.135 6.654 2.797 1.00 0.00 C ATOM 422 O GLN A 29 -11.683 6.187 1.749 1.00 0.00 O ATOM 423 CB GLN A 29 -12.355 5.850 5.171 1.00 0.00 C ATOM 424 CG GLN A 29 -10.952 5.271 5.278 1.00 0.00 C ATOM 425 CD GLN A 29 -10.338 5.496 6.645 1.00 0.00 C ATOM 426 OE1 GLN A 29 -10.806 4.952 7.646 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.293 6.312 6.694 1.00 0.00 N ATOM 0 H GLN A 29 -12.265 4.072 2.737 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.969 6.184 3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.333 6.890 5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.011 5.315 5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.986 4.202 5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.316 5.724 4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.940 6.740 5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.843 6.511 7.587 1.00 0.00 H new ATOM 436 N ASP A 30 -11.959 7.928 3.177 1.00 0.00 N ATOM 437 CA ASP A 30 -11.205 8.898 2.378 1.00 0.00 C ATOM 438 C ASP A 30 -9.735 8.943 2.793 1.00 0.00 C ATOM 439 O ASP A 30 -9.397 8.678 3.949 1.00 0.00 O ATOM 440 CB ASP A 30 -11.816 10.295 2.531 1.00 0.00 C ATOM 441 CG ASP A 30 -13.250 10.368 2.044 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.474 10.195 0.828 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.151 10.598 2.878 1.00 0.00 O ATOM 0 H ASP A 30 -12.335 8.311 4.044 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.260 8.581 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.778 10.590 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.212 11.013 1.976 1.00 0.00 H new ATOM 448 N TYR A 31 -8.872 9.297 1.835 1.00 0.00 N ATOM 449 CA TYR A 31 -7.433 9.404 2.074 1.00 0.00 C ATOM 450 C TYR A 31 -6.808 10.434 1.130 1.00 0.00 C ATOM 451 O TYR A 31 -7.096 10.435 -0.071 1.00 0.00 O ATOM 452 CB TYR A 31 -6.738 8.049 1.875 1.00 0.00 C ATOM 453 CG TYR A 31 -5.415 7.945 2.611 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.366 7.630 3.967 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.214 8.173 1.951 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.163 7.548 4.638 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.009 8.095 2.619 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.988 7.784 3.960 1.00 0.00 C ATOM 459 OH TYR A 31 -1.787 7.707 4.627 1.00 0.00 O ATOM 0 H TYR A 31 -9.151 9.516 0.879 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.293 9.725 3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.401 7.254 2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.569 7.887 0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.286 7.447 4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.224 8.415 0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.143 7.300 5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.085 8.277 2.091 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.859 7.057 5.357 1.00 0.00 H new ATOM 469 N MET A 32 -5.941 11.289 1.680 1.00 0.00 N ATOM 470 CA MET A 32 -5.254 12.316 0.891 1.00 0.00 C ATOM 471 C MET A 32 -3.783 11.948 0.702 1.00 0.00 C ATOM 472 O MET A 32 -3.109 11.556 1.659 1.00 0.00 O ATOM 473 CB MET A 32 -5.369 13.683 1.573 1.00 0.00 C ATOM 474 CG MET A 32 -6.794 14.197 1.675 1.00 0.00 C ATOM 475 SD MET A 32 -6.904 15.840 2.417 1.00 0.00 S ATOM 476 CE MET A 32 -6.105 16.851 1.171 1.00 0.00 C ATOM 0 H MET A 32 -5.698 11.290 2.671 1.00 0.00 H new ATOM 0 HA MET A 32 -5.731 12.372 -0.088 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.944 13.616 2.574 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.770 14.406 1.020 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.236 14.225 0.679 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.385 13.498 2.267 1.00 0.00 H new ATOM 0 HE1 MET A 32 -6.358 17.898 1.335 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.024 16.724 1.238 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.446 16.546 0.182 1.00 0.00 H new ATOM 486 N ALA A 33 -3.297 12.056 -0.539 1.00 0.00 N ATOM 487 CA ALA A 33 -1.910 11.714 -0.858 1.00 0.00 C ATOM 488 C ALA A 33 -0.966 12.924 -0.776 1.00 0.00 C ATOM 489 O ALA A 33 -1.110 13.870 -1.557 1.00 0.00 O ATOM 490 CB ALA A 33 -1.831 11.103 -2.244 1.00 0.00 C ATOM 0 H ALA A 33 -3.844 12.377 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.582 10.993 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.795 10.852 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.440 10.199 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.201 11.818 -2.979 1.00 0.00 H new ATOM 496 N PRO A 34 0.030 12.916 0.157 1.00 0.00 N ATOM 497 CA PRO A 34 0.992 14.013 0.301 1.00 0.00 C ATOM 498 C PRO A 34 2.102 13.940 -0.754 1.00 0.00 C ATOM 499 O PRO A 34 2.262 14.858 -1.563 1.00 0.00 O ATOM 500 CB PRO A 34 1.575 13.813 1.712 1.00 0.00 C ATOM 501 CG PRO A 34 0.853 12.641 2.298 1.00 0.00 C ATOM 502 CD PRO A 34 0.314 11.857 1.141 1.00 0.00 C ATOM 0 HA PRO A 34 0.522 14.987 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.648 13.627 1.667 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.431 14.704 2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.526 12.031 2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.047 12.969 2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.039 11.135 0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.583 11.299 1.409 1.00 0.00 H new ATOM 510 N ASP A 35 2.859 12.836 -0.736 1.00 0.00 N ATOM 511 CA ASP A 35 3.956 12.611 -1.680 1.00 0.00 C ATOM 512 C ASP A 35 3.443 11.874 -2.920 1.00 0.00 C ATOM 513 O ASP A 35 2.339 11.322 -2.908 1.00 0.00 O ATOM 514 CB ASP A 35 5.066 11.811 -0.989 1.00 0.00 C ATOM 515 CG ASP A 35 6.398 11.867 -1.718 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.553 11.165 -2.740 1.00 0.00 O ATOM 517 OD2 ASP A 35 7.286 12.620 -1.267 1.00 0.00 O ATOM 0 H ASP A 35 2.727 12.077 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 35 4.362 13.570 -2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.199 12.190 0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.752 10.771 -0.901 1.00 0.00 H new ATOM 522 N CYS A 36 4.255 11.871 -3.982 1.00 0.00 N ATOM 523 CA CYS A 36 3.906 11.207 -5.244 1.00 0.00 C ATOM 524 C CYS A 36 3.743 9.697 -5.060 1.00 0.00 C ATOM 525 O CYS A 36 3.021 9.049 -5.823 1.00 0.00 O ATOM 526 CB CYS A 36 4.989 11.454 -6.297 1.00 0.00 C ATOM 527 SG CYS A 36 5.426 13.204 -6.552 1.00 0.00 S ATOM 0 H CYS A 36 5.168 12.326 -3.993 1.00 0.00 H new ATOM 0 HA CYS A 36 2.957 11.629 -5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.887 10.909 -6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.654 11.036 -7.246 1.00 0.00 H new ATOM 0 HG CYS A 36 6.351 13.292 -7.461 1.00 0.00 H new ATOM 532 N ARG A 37 4.433 9.147 -4.055 1.00 0.00 N ATOM 533 CA ARG A 37 4.387 7.708 -3.774 1.00 0.00 C ATOM 534 C ARG A 37 3.016 7.243 -3.278 1.00 0.00 C ATOM 535 O ARG A 37 2.699 6.061 -3.380 1.00 0.00 O ATOM 536 CB ARG A 37 5.462 7.309 -2.750 1.00 0.00 C ATOM 537 CG ARG A 37 5.495 8.174 -1.496 1.00 0.00 C ATOM 538 CD ARG A 37 6.212 7.472 -0.349 1.00 0.00 C ATOM 539 NE ARG A 37 6.785 8.409 0.631 1.00 0.00 N ATOM 540 CZ ARG A 37 6.079 9.203 1.453 1.00 0.00 C ATOM 541 NH1 ARG A 37 4.751 9.195 1.449 1.00 0.00 N ATOM 542 NH2 ARG A 37 6.719 10.009 2.289 1.00 0.00 N ATOM 0 H ARG A 37 5.031 9.678 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 37 4.584 7.211 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.298 6.272 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.439 7.353 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.996 9.117 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.476 8.418 -1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.512 6.808 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.008 6.847 -0.754 1.00 0.00 H new ATOM 0 HE ARG A 37 7.802 8.460 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.247 8.577 0.813 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.235 9.806 2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.739 10.023 2.304 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.192 10.616 2.917 1.00 0.00 H new ATOM 556 N PHE A 38 2.216 8.160 -2.728 1.00 0.00 N ATOM 557 CA PHE A 38 0.895 7.800 -2.206 1.00 0.00 C ATOM 558 C PHE A 38 -0.232 8.135 -3.183 1.00 0.00 C ATOM 559 O PHE A 38 -0.060 8.950 -4.093 1.00 0.00 O ATOM 560 CB PHE A 38 0.658 8.479 -0.848 1.00 0.00 C ATOM 561 CG PHE A 38 1.175 7.706 0.353 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.371 6.991 0.312 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.450 7.699 1.531 1.00 0.00 C ATOM 564 CE1 PHE A 38 2.820 6.295 1.416 1.00 0.00 C ATOM 565 CE2 PHE A 38 0.897 7.003 2.639 1.00 0.00 C ATOM 566 CZ PHE A 38 2.082 6.301 2.581 1.00 0.00 C ATOM 0 H PHE A 38 2.456 9.147 -2.633 1.00 0.00 H new ATOM 0 HA PHE A 38 0.883 6.718 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.132 9.460 -0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.412 8.644 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.955 6.982 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.480 8.246 1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.749 5.746 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.317 7.009 3.550 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.432 5.757 3.446 1.00 0.00 H new ATOM 576 N LEU A 39 -1.385 7.483 -2.978 1.00 0.00 N ATOM 577 CA LEU A 39 -2.568 7.677 -3.828 1.00 0.00 C ATOM 578 C LEU A 39 -3.726 8.312 -3.059 1.00 0.00 C ATOM 579 O LEU A 39 -3.977 7.966 -1.901 1.00 0.00 O ATOM 580 CB LEU A 39 -3.048 6.331 -4.387 1.00 0.00 C ATOM 581 CG LEU A 39 -2.158 5.683 -5.451 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.523 4.215 -5.613 1.00 0.00 C ATOM 583 CD2 LEU A 39 -2.302 6.403 -6.785 1.00 0.00 C ATOM 0 H LEU A 39 -1.524 6.811 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.269 8.345 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.152 5.633 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.042 6.472 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.121 5.761 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.884 3.763 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.381 3.698 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.566 4.131 -5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.661 5.926 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.339 6.352 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.009 7.446 -6.669 1.00 0.00 H new ATOM 595 N THR A 40 -4.454 9.210 -3.732 1.00 0.00 N ATOM 596 CA THR A 40 -5.622 9.862 -3.139 1.00 0.00 C ATOM 597 C THR A 40 -6.851 9.009 -3.446 1.00 0.00 C ATOM 598 O THR A 40 -7.200 8.810 -4.613 1.00 0.00 O ATOM 599 CB THR A 40 -5.792 11.289 -3.683 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.650 12.074 -3.388 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.995 12.021 -3.118 1.00 0.00 C ATOM 0 H THR A 40 -4.253 9.501 -4.689 1.00 0.00 H new ATOM 0 HA THR A 40 -5.490 9.947 -2.060 1.00 0.00 H new ATOM 0 HB THR A 40 -5.934 11.165 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.774 12.979 -3.743 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.048 13.021 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.904 11.471 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.899 12.098 -2.035 1.00 0.00 H new ATOM 609 N ILE A 41 -7.473 8.475 -2.396 1.00 0.00 N ATOM 610 CA ILE A 41 -8.635 7.599 -2.556 1.00 0.00 C ATOM 611 C ILE A 41 -9.867 8.135 -1.828 1.00 0.00 C ATOM 612 O ILE A 41 -9.780 8.583 -0.692 1.00 0.00 O ATOM 613 CB ILE A 41 -8.299 6.168 -2.043 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.219 5.536 -2.930 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.539 5.279 -2.024 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.512 4.351 -2.299 1.00 0.00 C ATOM 0 H ILE A 41 -7.194 8.632 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.871 7.564 -3.620 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.929 6.254 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.675 5.216 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.479 6.296 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.270 4.287 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.290 5.715 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.945 5.199 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.764 3.963 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.024 4.667 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.239 3.570 -2.075 1.00 0.00 H new ATOM 628 N HIS A 42 -11.018 8.045 -2.495 1.00 0.00 N ATOM 629 CA HIS A 42 -12.284 8.478 -1.920 1.00 0.00 C ATOM 630 C HIS A 42 -13.060 7.262 -1.423 1.00 0.00 C ATOM 631 O HIS A 42 -12.833 6.143 -1.890 1.00 0.00 O ATOM 632 CB HIS A 42 -13.114 9.257 -2.946 1.00 0.00 C ATOM 633 CG HIS A 42 -12.489 10.552 -3.370 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.210 11.576 -2.490 1.00 0.00 N ATOM 635 CD2 HIS A 42 -12.090 10.986 -4.589 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.668 12.585 -3.150 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.584 12.251 -4.424 1.00 0.00 N ATOM 0 H HIS A 42 -11.095 7.672 -3.441 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.079 9.143 -1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.267 8.632 -3.826 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.099 9.460 -2.525 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.157 10.439 -5.518 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.348 13.523 -2.720 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.204 12.838 -5.166 1.00 0.00 H new ATOM 646 N ARG A 43 -13.959 7.489 -0.468 1.00 0.00 N ATOM 647 CA ARG A 43 -14.766 6.419 0.116 1.00 0.00 C ATOM 648 C ARG A 43 -15.675 5.767 -0.932 1.00 0.00 C ATOM 649 O ARG A 43 -16.606 6.401 -1.438 1.00 0.00 O ATOM 650 CB ARG A 43 -15.596 6.979 1.280 1.00 0.00 C ATOM 651 CG ARG A 43 -16.397 5.936 2.038 1.00 0.00 C ATOM 652 CD ARG A 43 -17.211 6.568 3.154 1.00 0.00 C ATOM 653 NE ARG A 43 -17.914 5.565 3.948 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.728 5.844 4.971 1.00 0.00 C ATOM 655 NH1 ARG A 43 -18.960 7.101 5.338 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.314 4.855 5.631 1.00 0.00 N ATOM 0 H ARG A 43 -14.148 8.413 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.096 5.645 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.927 7.483 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.280 7.734 0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.063 5.415 1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.722 5.189 2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.552 7.147 3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.932 7.265 2.728 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.775 4.584 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.514 7.869 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.584 7.297 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.143 3.887 5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.936 5.062 6.412 1.00 0.00 H new ATOM 670 N GLY A 44 -15.401 4.492 -1.238 1.00 0.00 N ATOM 671 CA GLY A 44 -16.207 3.763 -2.206 1.00 0.00 C ATOM 672 C GLY A 44 -15.538 3.565 -3.561 1.00 0.00 C ATOM 673 O GLY A 44 -16.164 3.022 -4.474 1.00 0.00 O ATOM 0 H GLY A 44 -14.635 3.955 -0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.456 2.786 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.147 4.296 -2.353 1.00 0.00 H new ATOM 677 N GLN A 45 -14.277 3.997 -3.708 1.00 0.00 N ATOM 678 CA GLN A 45 -13.570 3.840 -4.983 1.00 0.00 C ATOM 679 C GLN A 45 -12.980 2.441 -5.133 1.00 0.00 C ATOM 680 O GLN A 45 -12.548 1.829 -4.153 1.00 0.00 O ATOM 681 CB GLN A 45 -12.460 4.885 -5.152 1.00 0.00 C ATOM 682 CG GLN A 45 -12.978 6.308 -5.281 1.00 0.00 C ATOM 683 CD GLN A 45 -11.961 7.245 -5.905 1.00 0.00 C ATOM 684 OE1 GLN A 45 -10.839 7.384 -5.418 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.350 7.896 -6.995 1.00 0.00 N ATOM 0 H GLN A 45 -13.735 4.450 -2.972 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.314 3.992 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.786 4.829 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.873 4.639 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.885 6.307 -5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.253 6.681 -4.295 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.289 7.753 -7.367 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.710 8.539 -7.460 1.00 0.00 H new ATOM 694 N VAL A 46 -12.959 1.954 -6.376 1.00 0.00 N ATOM 695 CA VAL A 46 -12.415 0.633 -6.690 1.00 0.00 C ATOM 696 C VAL A 46 -10.902 0.730 -6.860 1.00 0.00 C ATOM 697 O VAL A 46 -10.425 1.409 -7.769 1.00 0.00 O ATOM 698 CB VAL A 46 -13.023 0.051 -7.993 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.686 -1.427 -8.137 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.528 0.265 -8.053 1.00 0.00 C ATOM 0 H VAL A 46 -13.316 2.460 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.671 -0.030 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.578 0.590 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.123 -1.812 -9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.604 -1.552 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.089 -1.977 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.919 -0.156 -8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.000 -0.228 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.745 1.333 -8.019 1.00 0.00 H new ATOM 710 N VAL A 47 -10.150 0.064 -5.981 1.00 0.00 N ATOM 711 CA VAL A 47 -8.686 0.097 -6.051 1.00 0.00 C ATOM 712 C VAL A 47 -8.113 -1.318 -6.127 1.00 0.00 C ATOM 713 O VAL A 47 -8.417 -2.167 -5.283 1.00 0.00 O ATOM 714 CB VAL A 47 -8.058 0.838 -4.840 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.595 1.163 -5.110 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.827 2.110 -4.502 1.00 0.00 C ATOM 0 H VAL A 47 -10.525 -0.500 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.431 0.646 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.118 0.171 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.173 1.682 -4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.043 0.239 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.521 1.801 -5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.359 2.602 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.815 2.781 -5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.858 1.857 -4.254 1.00 0.00 H new ATOM 726 N TYR A 48 -7.283 -1.560 -7.145 1.00 0.00 N ATOM 727 CA TYR A 48 -6.658 -2.867 -7.345 1.00 0.00 C ATOM 728 C TYR A 48 -5.289 -2.920 -6.673 1.00 0.00 C ATOM 729 O TYR A 48 -4.507 -1.970 -6.770 1.00 0.00 O ATOM 730 CB TYR A 48 -6.501 -3.192 -8.843 1.00 0.00 C ATOM 731 CG TYR A 48 -7.799 -3.449 -9.595 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.777 -2.468 -9.729 1.00 0.00 C ATOM 733 CD2 TYR A 48 -8.032 -4.683 -10.190 1.00 0.00 C ATOM 734 CE1 TYR A 48 -9.944 -2.712 -10.424 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.197 -4.932 -10.890 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.149 -3.944 -11.004 1.00 0.00 C ATOM 737 OH TYR A 48 -11.310 -4.189 -11.699 1.00 0.00 O ATOM 0 H TYR A 48 -7.028 -0.864 -7.845 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.314 -3.610 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.980 -2.364 -9.324 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.864 -4.071 -8.942 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.620 -1.498 -9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.289 -5.462 -10.104 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.694 -1.940 -10.513 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.360 -5.897 -11.346 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.773 -3.343 -11.871 1.00 0.00 H new ATOM 747 N VAL A 49 -5.003 -4.038 -6.001 1.00 0.00 N ATOM 748 CA VAL A 49 -3.721 -4.226 -5.317 1.00 0.00 C ATOM 749 C VAL A 49 -2.768 -5.037 -6.193 1.00 0.00 C ATOM 750 O VAL A 49 -3.152 -6.069 -6.742 1.00 0.00 O ATOM 751 CB VAL A 49 -3.903 -4.938 -3.952 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.586 -5.007 -3.187 1.00 0.00 C ATOM 753 CG2 VAL A 49 -4.969 -4.241 -3.118 1.00 0.00 C ATOM 0 H VAL A 49 -5.643 -4.828 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.299 -3.238 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.232 -5.958 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.745 -5.511 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.853 -5.561 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.217 -3.997 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.080 -4.757 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.673 -3.208 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.919 -4.258 -3.653 1.00 0.00 H new ATOM 763 N PHE A 50 -1.528 -4.555 -6.323 1.00 0.00 N ATOM 764 CA PHE A 50 -0.515 -5.227 -7.137 1.00 0.00 C ATOM 765 C PHE A 50 0.668 -5.703 -6.290 1.00 0.00 C ATOM 766 O PHE A 50 1.231 -6.768 -6.555 1.00 0.00 O ATOM 767 CB PHE A 50 -0.005 -4.298 -8.251 1.00 0.00 C ATOM 768 CG PHE A 50 -0.950 -4.134 -9.418 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.125 -3.402 -9.299 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.656 -4.720 -10.639 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.981 -3.260 -10.373 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.511 -4.580 -11.717 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.674 -3.849 -11.583 1.00 0.00 C ATOM 0 H PHE A 50 -1.203 -3.699 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.993 -6.099 -7.583 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.196 -3.316 -7.823 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.944 -4.684 -8.621 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.372 -2.939 -8.355 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.252 -5.293 -10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.891 -2.688 -10.266 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.269 -5.042 -12.663 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.343 -3.738 -12.424 1.00 0.00 H new ATOM 783 N SER A 51 1.054 -4.906 -5.284 1.00 0.00 N ATOM 784 CA SER A 51 2.188 -5.253 -4.419 1.00 0.00 C ATOM 785 C SER A 51 1.893 -5.005 -2.941 1.00 0.00 C ATOM 786 O SER A 51 1.158 -4.081 -2.590 1.00 0.00 O ATOM 787 CB SER A 51 3.427 -4.450 -4.823 1.00 0.00 C ATOM 788 OG SER A 51 3.172 -3.057 -4.774 1.00 0.00 O ATOM 0 H SER A 51 0.601 -4.023 -5.051 1.00 0.00 H new ATOM 0 HA SER A 51 2.369 -6.320 -4.551 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.255 -4.695 -4.158 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.734 -4.731 -5.830 1.00 0.00 H new ATOM 0 HG SER A 51 3.980 -2.567 -5.035 1.00 0.00 H new ATOM 794 N LYS A 52 2.501 -5.835 -2.082 1.00 0.00 N ATOM 795 CA LYS A 52 2.347 -5.717 -0.627 1.00 0.00 C ATOM 796 C LYS A 52 3.731 -5.620 0.019 1.00 0.00 C ATOM 797 O LYS A 52 4.507 -6.577 -0.026 1.00 0.00 O ATOM 798 CB LYS A 52 1.586 -6.919 -0.041 1.00 0.00 C ATOM 799 CG LYS A 52 0.340 -7.315 -0.820 1.00 0.00 C ATOM 800 CD LYS A 52 -0.305 -8.563 -0.237 1.00 0.00 C ATOM 801 CE LYS A 52 -1.564 -8.949 -0.994 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.202 -10.169 -0.429 1.00 0.00 N ATOM 0 H LYS A 52 3.108 -6.601 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 52 1.768 -4.818 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.260 -7.774 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.300 -6.687 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.376 -6.493 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.602 -7.492 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.406 -9.389 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.549 -8.391 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.273 -8.122 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.319 -9.120 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.057 -10.398 -0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.535 -10.965 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.460 -9.998 0.564 1.00 0.00 H new ATOM 816 N LEU A 53 4.044 -4.458 0.598 1.00 0.00 N ATOM 817 CA LEU A 53 5.351 -4.232 1.228 1.00 0.00 C ATOM 818 C LEU A 53 5.512 -5.045 2.515 1.00 0.00 C ATOM 819 O LEU A 53 4.547 -5.252 3.253 1.00 0.00 O ATOM 820 CB LEU A 53 5.547 -2.739 1.527 1.00 0.00 C ATOM 821 CG LEU A 53 5.286 -1.779 0.352 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.288 -0.338 0.839 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.312 -1.969 -0.762 1.00 0.00 C ATOM 0 H LEU A 53 3.412 -3.659 0.645 1.00 0.00 H new ATOM 0 HA LEU A 53 6.114 -4.566 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.887 -2.463 2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.569 -2.589 1.874 1.00 0.00 H new ATOM 0 HG LEU A 53 4.304 -2.011 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.102 0.330 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.506 -0.206 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.257 -0.105 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.098 -1.276 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.312 -1.775 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.260 -2.992 -1.134 1.00 0.00 H new ATOM 835 N LYS A 54 6.747 -5.497 2.768 1.00 0.00 N ATOM 836 CA LYS A 54 7.063 -6.289 3.963 1.00 0.00 C ATOM 837 C LYS A 54 8.040 -5.540 4.872 1.00 0.00 C ATOM 838 O LYS A 54 8.409 -4.400 4.588 1.00 0.00 O ATOM 839 CB LYS A 54 7.667 -7.641 3.565 1.00 0.00 C ATOM 840 CG LYS A 54 6.729 -8.536 2.775 1.00 0.00 C ATOM 841 CD LYS A 54 7.413 -9.834 2.363 1.00 0.00 C ATOM 842 CE LYS A 54 7.602 -10.785 3.538 1.00 0.00 C ATOM 843 NZ LYS A 54 8.267 -12.053 3.128 1.00 0.00 N ATOM 0 H LYS A 54 7.547 -5.327 2.158 1.00 0.00 H new ATOM 0 HA LYS A 54 6.134 -6.456 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.566 -7.464 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.978 -8.167 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.848 -8.762 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.382 -8.008 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.820 -10.326 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.384 -9.607 1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.198 -10.296 4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.632 -11.011 3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.376 -12.671 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.686 -12.534 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.203 -11.841 2.729 1.00 0.00 H new ATOM 857 N GLY A 55 8.458 -6.194 5.963 1.00 0.00 N ATOM 858 CA GLY A 55 9.393 -5.585 6.896 1.00 0.00 C ATOM 859 C GLY A 55 8.704 -4.729 7.939 1.00 0.00 C ATOM 860 O GLY A 55 7.789 -5.192 8.622 1.00 0.00 O ATOM 0 H GLY A 55 8.162 -7.137 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.965 -6.368 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.106 -4.973 6.343 1.00 0.00 H new ATOM 864 N ARG A 56 9.150 -3.477 8.058 1.00 0.00 N ATOM 865 CA ARG A 56 8.579 -2.536 9.024 1.00 0.00 C ATOM 866 C ARG A 56 7.250 -1.962 8.525 1.00 0.00 C ATOM 867 O ARG A 56 6.506 -1.344 9.291 1.00 0.00 O ATOM 868 CB ARG A 56 9.572 -1.403 9.326 1.00 0.00 C ATOM 869 CG ARG A 56 10.036 -0.637 8.097 1.00 0.00 C ATOM 870 CD ARG A 56 11.030 0.454 8.468 1.00 0.00 C ATOM 871 NE ARG A 56 11.463 1.237 7.308 1.00 0.00 N ATOM 872 CZ ARG A 56 12.292 0.794 6.352 1.00 0.00 C ATOM 873 NH1 ARG A 56 12.826 -0.423 6.415 1.00 0.00 N ATOM 874 NH2 ARG A 56 12.594 1.584 5.330 1.00 0.00 N ATOM 0 H ARG A 56 9.908 -3.090 7.495 1.00 0.00 H new ATOM 0 HA ARG A 56 8.383 -3.084 9.945 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.108 -0.704 10.022 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.443 -1.823 9.829 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.496 -1.326 7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.176 -0.193 7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.577 1.119 9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.901 0.002 8.942 1.00 0.00 H new ATOM 0 HE ARG A 56 11.108 2.189 7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.607 -1.036 7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.455 -0.743 5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.196 2.522 5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.224 1.254 4.599 1.00 0.00 H new ATOM 888 N GLY A 57 6.962 -2.180 7.239 1.00 0.00 N ATOM 889 CA GLY A 57 5.728 -1.691 6.647 1.00 0.00 C ATOM 890 C GLY A 57 4.867 -2.817 6.107 1.00 0.00 C ATOM 891 O GLY A 57 4.477 -2.797 4.937 1.00 0.00 O ATOM 0 H GLY A 57 7.568 -2.690 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.165 -1.132 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.964 -0.997 5.840 1.00 0.00 H new ATOM 895 N ARG A 58 4.574 -3.798 6.966 1.00 0.00 N ATOM 896 CA ARG A 58 3.754 -4.952 6.586 1.00 0.00 C ATOM 897 C ARG A 58 2.287 -4.560 6.392 1.00 0.00 C ATOM 898 O ARG A 58 1.512 -5.313 5.796 1.00 0.00 O ATOM 899 CB ARG A 58 3.864 -6.076 7.632 1.00 0.00 C ATOM 900 CG ARG A 58 3.442 -5.672 9.042 1.00 0.00 C ATOM 901 CD ARG A 58 4.642 -5.433 9.946 1.00 0.00 C ATOM 902 NE ARG A 58 5.377 -6.669 10.221 1.00 0.00 N ATOM 903 CZ ARG A 58 6.440 -6.753 11.028 1.00 0.00 C ATOM 904 NH1 ARG A 58 6.909 -5.676 11.654 1.00 0.00 N ATOM 905 NH2 ARG A 58 7.037 -7.923 11.210 1.00 0.00 N ATOM 0 H ARG A 58 4.895 -3.815 7.934 1.00 0.00 H new ATOM 0 HA ARG A 58 4.138 -5.319 5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.250 -6.917 7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.895 -6.428 7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.837 -4.767 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.814 -6.453 9.471 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.310 -4.710 9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.306 -4.994 10.886 1.00 0.00 H new ATOM 0 HE ARG A 58 5.057 -7.524 9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.457 -4.771 11.521 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.721 -5.755 12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.685 -8.754 10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.848 -7.992 11.825 1.00 0.00 H new ATOM 919 N LEU A 59 1.917 -3.378 6.892 1.00 0.00 N ATOM 920 CA LEU A 59 0.549 -2.882 6.768 1.00 0.00 C ATOM 921 C LEU A 59 0.436 -1.868 5.626 1.00 0.00 C ATOM 922 O LEU A 59 -0.610 -1.239 5.442 1.00 0.00 O ATOM 923 CB LEU A 59 0.051 -2.268 8.096 1.00 0.00 C ATOM 924 CG LEU A 59 0.844 -1.066 8.639 1.00 0.00 C ATOM 925 CD1 LEU A 59 -0.061 -0.162 9.462 1.00 0.00 C ATOM 926 CD2 LEU A 59 2.038 -1.523 9.468 1.00 0.00 C ATOM 0 H LEU A 59 2.549 -2.748 7.387 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.090 -3.733 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.986 -1.959 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.055 -3.050 8.855 1.00 0.00 H new ATOM 0 HG LEU A 59 1.224 -0.501 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.515 0.683 9.839 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.876 0.204 8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.471 -0.724 10.301 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.579 -0.652 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.689 -2.119 10.311 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.702 -2.126 8.848 1.00 0.00 H new ATOM 938 N PHE A 60 1.519 -1.729 4.853 1.00 0.00 N ATOM 939 CA PHE A 60 1.548 -0.810 3.718 1.00 0.00 C ATOM 940 C PHE A 60 1.502 -1.583 2.403 1.00 0.00 C ATOM 941 O PHE A 60 2.379 -2.405 2.121 1.00 0.00 O ATOM 942 CB PHE A 60 2.796 0.086 3.760 1.00 0.00 C ATOM 943 CG PHE A 60 2.729 1.208 4.769 1.00 0.00 C ATOM 944 CD1 PHE A 60 2.791 0.956 6.132 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.605 2.522 4.345 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.729 1.988 7.049 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.542 3.558 5.257 1.00 0.00 C ATOM 948 CZ PHE A 60 2.605 3.291 6.610 1.00 0.00 C ATOM 0 H PHE A 60 2.387 -2.244 4.996 1.00 0.00 H new ATOM 0 HA PHE A 60 0.667 -0.171 3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.665 -0.533 3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.954 0.514 2.770 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.889 -0.061 6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.557 2.739 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.777 1.776 8.107 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.443 4.576 4.911 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.557 4.100 7.324 1.00 0.00 H new ATOM 958 N TRP A 61 0.466 -1.318 1.612 1.00 0.00 N ATOM 959 CA TRP A 61 0.276 -1.981 0.323 1.00 0.00 C ATOM 960 C TRP A 61 0.461 -0.994 -0.829 1.00 0.00 C ATOM 961 O TRP A 61 0.885 0.144 -0.615 1.00 0.00 O ATOM 962 CB TRP A 61 -1.122 -2.624 0.270 1.00 0.00 C ATOM 963 CG TRP A 61 -1.249 -3.945 1.002 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.322 -4.563 1.803 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.399 -4.803 1.004 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.818 -5.752 2.275 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.093 -5.918 1.808 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.658 -4.738 0.401 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -2.996 -6.954 2.022 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.552 -5.765 0.615 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.219 -6.860 1.419 1.00 0.00 C ATOM 0 H TRP A 61 -0.262 -0.642 1.843 1.00 0.00 H new ATOM 0 HA TRP A 61 1.029 -2.762 0.216 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.844 -1.923 0.689 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.396 -2.777 -0.774 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.658 -4.170 2.030 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.317 -6.406 2.877 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.926 -3.897 -0.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.740 -7.801 2.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.528 -5.723 0.153 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.943 -7.648 1.566 1.00 0.00 H new ATOM 982 N GLY A 62 0.148 -1.441 -2.049 1.00 0.00 N ATOM 983 CA GLY A 62 0.288 -0.591 -3.217 1.00 0.00 C ATOM 984 C GLY A 62 -0.416 -1.159 -4.431 1.00 0.00 C ATOM 985 O GLY A 62 -0.661 -2.362 -4.501 1.00 0.00 O ATOM 0 H GLY A 62 -0.200 -2.380 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.116 0.397 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.346 -0.459 -3.442 1.00 0.00 H new ATOM 989 N GLY A 63 -0.740 -0.282 -5.381 1.00 0.00 N ATOM 990 CA GLY A 63 -1.419 -0.694 -6.599 1.00 0.00 C ATOM 991 C GLY A 63 -1.864 0.492 -7.433 1.00 0.00 C ATOM 992 O GLY A 63 -1.213 1.538 -7.422 1.00 0.00 O ATOM 0 H GLY A 63 -0.541 0.717 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.753 -1.323 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.286 -1.302 -6.342 1.00 0.00 H new ATOM 996 N SER A 64 -2.975 0.329 -8.152 1.00 0.00 N ATOM 997 CA SER A 64 -3.514 1.397 -8.995 1.00 0.00 C ATOM 998 C SER A 64 -5.016 1.544 -8.778 1.00 0.00 C ATOM 999 O SER A 64 -5.730 0.547 -8.659 1.00 0.00 O ATOM 1000 CB SER A 64 -3.218 1.116 -10.470 1.00 0.00 C ATOM 1001 OG SER A 64 -3.851 -0.074 -10.904 1.00 0.00 O ATOM 0 H SER A 64 -3.520 -0.533 -8.168 1.00 0.00 H new ATOM 0 HA SER A 64 -3.029 2.332 -8.714 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.559 1.954 -11.078 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.141 1.032 -10.618 1.00 0.00 H new ATOM 0 HG SER A 64 -3.337 -0.849 -10.596 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.485 2.790 -8.717 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.905 3.070 -8.501 1.00 0.00 C ATOM 1009 C VAL A 65 -7.672 3.181 -9.829 1.00 0.00 C ATOM 1010 O VAL A 65 -7.296 3.945 -10.724 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.106 4.350 -7.631 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.428 5.567 -8.251 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.586 4.624 -7.384 1.00 0.00 C ATOM 0 H VAL A 65 -4.903 3.622 -8.814 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.319 2.224 -7.953 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.630 4.161 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.591 6.437 -7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.358 5.380 -8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.850 5.755 -9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.693 5.522 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.093 4.770 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.031 3.777 -6.862 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.748 2.397 -9.938 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.587 2.382 -11.138 1.00 0.00 C ATOM 1025 C GLN A 66 -10.720 3.415 -11.032 1.00 0.00 C ATOM 1026 O GLN A 66 -11.311 3.802 -12.045 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.167 0.974 -11.351 1.00 0.00 C ATOM 1028 CG GLN A 66 -10.946 0.812 -12.650 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.491 -0.589 -12.848 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -12.322 -1.061 -12.071 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -11.024 -1.264 -13.892 1.00 0.00 N ATOM 0 H GLN A 66 -9.060 1.761 -9.204 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.968 2.649 -11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.352 0.251 -11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.822 0.732 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.773 1.522 -12.661 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.298 1.065 -13.489 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.336 -0.835 -14.511 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.353 -2.212 -14.075 1.00 0.00 H new ATOM 1139 N ALA A 74 -2.676 5.085 -13.438 1.00 0.00 N ATOM 1140 CA ALA A 74 -2.762 3.627 -13.355 1.00 0.00 C ATOM 1141 C ALA A 74 -1.612 2.956 -14.108 1.00 0.00 C ATOM 1142 O ALA A 74 -1.432 1.739 -14.021 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.104 3.149 -13.898 1.00 0.00 C ATOM 0 HA ALA A 74 -2.681 3.344 -12.306 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.157 2.062 -13.831 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.911 3.588 -13.312 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.205 3.454 -14.940 1.00 0.00 H new ATOM 1149 N ALA A 75 -0.839 3.760 -14.844 1.00 0.00 N ATOM 1150 CA ALA A 75 0.294 3.254 -15.613 1.00 0.00 C ATOM 1151 C ALA A 75 1.613 3.444 -14.865 1.00 0.00 C ATOM 1152 O ALA A 75 2.605 2.779 -15.170 1.00 0.00 O ATOM 1153 CB ALA A 75 0.354 3.939 -16.970 1.00 0.00 C ATOM 0 H ALA A 75 -0.981 4.767 -14.921 1.00 0.00 H new ATOM 0 HA ALA A 75 0.147 2.184 -15.757 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.203 3.554 -17.535 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.567 3.741 -17.519 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.469 5.014 -16.830 1.00 0.00 H new ATOM 1159 N ARG A 76 1.617 4.355 -13.885 1.00 0.00 N ATOM 1160 CA ARG A 76 2.819 4.630 -13.094 1.00 0.00 C ATOM 1161 C ARG A 76 2.695 4.095 -11.665 1.00 0.00 C ATOM 1162 O ARG A 76 3.626 4.231 -10.864 1.00 0.00 O ATOM 1163 CB ARG A 76 3.161 6.138 -13.111 1.00 0.00 C ATOM 1164 CG ARG A 76 1.983 7.083 -12.862 1.00 0.00 C ATOM 1165 CD ARG A 76 1.709 7.303 -11.377 1.00 0.00 C ATOM 1166 NE ARG A 76 2.839 7.930 -10.680 1.00 0.00 N ATOM 1167 CZ ARG A 76 3.216 9.208 -10.829 1.00 0.00 C ATOM 1168 NH1 ARG A 76 2.542 10.037 -11.623 1.00 0.00 N ATOM 1169 NH2 ARG A 76 4.272 9.661 -10.166 1.00 0.00 N ATOM 0 H ARG A 76 0.804 4.912 -13.622 1.00 0.00 H new ATOM 0 HA ARG A 76 3.648 4.097 -13.560 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.923 6.329 -12.355 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.602 6.382 -14.077 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.186 8.043 -13.336 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.090 6.676 -13.336 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.824 7.930 -11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.484 6.346 -10.907 1.00 0.00 H new ATOM 0 HE ARG A 76 3.377 7.351 -10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.723 9.703 -12.131 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.845 11.006 -11.723 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.792 9.038 -9.548 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.564 10.632 -10.275 1.00 0.00 H new ATOM 1183 N LEU A 77 1.546 3.464 -11.379 1.00 0.00 N ATOM 1184 CA LEU A 77 1.247 2.854 -10.065 1.00 0.00 C ATOM 1185 C LEU A 77 1.320 3.841 -8.891 1.00 0.00 C ATOM 1186 O LEU A 77 1.600 5.029 -9.063 1.00 0.00 O ATOM 1187 CB LEU A 77 2.175 1.653 -9.806 1.00 0.00 C ATOM 1188 CG LEU A 77 1.869 0.394 -10.627 1.00 0.00 C ATOM 1189 CD1 LEU A 77 3.044 -0.568 -10.579 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.610 -0.291 -10.111 1.00 0.00 C ATOM 0 H LEU A 77 0.790 3.359 -12.055 1.00 0.00 H new ATOM 0 HA LEU A 77 0.211 2.520 -10.119 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.201 1.958 -10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.123 1.397 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 77 1.702 0.693 -11.662 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.811 -1.456 -11.166 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.929 -0.082 -10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.236 -0.856 -9.546 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.410 -1.182 -10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.752 -0.576 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.234 0.394 -10.188 1.00 0.00 H new ATOM 1202 N GLY A 78 1.056 3.315 -7.691 1.00 0.00 N ATOM 1203 CA GLY A 78 1.081 4.112 -6.476 1.00 0.00 C ATOM 1204 C GLY A 78 1.052 3.234 -5.238 1.00 0.00 C ATOM 1205 O GLY A 78 1.094 2.008 -5.352 1.00 0.00 O ATOM 0 H GLY A 78 0.822 2.333 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.978 4.732 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.226 4.788 -6.465 1.00 0.00 H new ATOM 1209 N TYR A 79 0.998 3.854 -4.051 1.00 0.00 N ATOM 1210 CA TYR A 79 0.979 3.105 -2.787 1.00 0.00 C ATOM 1211 C TYR A 79 -0.080 3.665 -1.832 1.00 0.00 C ATOM 1212 O TYR A 79 -0.379 4.862 -1.854 1.00 0.00 O ATOM 1213 CB TYR A 79 2.381 3.103 -2.136 1.00 0.00 C ATOM 1214 CG TYR A 79 3.432 2.401 -2.986 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.614 1.025 -2.907 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.212 3.112 -3.895 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.543 0.380 -3.703 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.138 2.472 -4.697 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.300 1.107 -4.597 1.00 0.00 C ATOM 1220 OH TYR A 79 6.221 0.466 -5.393 1.00 0.00 O ATOM 0 H TYR A 79 0.967 4.867 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 79 0.709 2.072 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.694 4.132 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.323 2.614 -1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.020 0.450 -2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.091 4.182 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.675 -0.689 -3.625 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.732 3.039 -5.399 1.00 0.00 H new ATOM 0 HH TYR A 79 6.669 1.121 -5.967 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.667 2.776 -1.018 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.725 3.155 -0.072 1.00 0.00 C ATOM 1232 C PHE A 80 -1.754 2.208 1.150 1.00 0.00 C ATOM 1233 O PHE A 80 -1.268 1.080 1.055 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.093 3.145 -0.799 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.441 1.836 -1.478 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.034 0.795 -0.772 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.165 1.648 -2.824 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.340 -0.399 -1.393 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.471 0.456 -3.448 1.00 0.00 C ATOM 1240 CZ PHE A 80 -4.059 -0.569 -2.733 1.00 0.00 C ATOM 0 H PHE A 80 -0.425 1.785 -0.996 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.517 4.159 0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.874 3.383 -0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.097 3.938 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.258 0.923 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.705 2.444 -3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.799 -1.199 -0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.250 0.324 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.298 -1.502 -3.222 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.329 2.635 2.316 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.408 1.786 3.514 1.00 0.00 C ATOM 1252 C PRO A 81 -3.513 0.734 3.398 1.00 0.00 C ATOM 1253 O PRO A 81 -4.625 1.037 2.964 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.735 2.769 4.654 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.717 4.134 4.043 1.00 0.00 C ATOM 1256 CD PRO A 81 -2.951 3.947 2.575 1.00 0.00 C ATOM 0 HA PRO A 81 -1.483 1.231 3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.710 2.550 5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.002 2.692 5.457 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.490 4.765 4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.762 4.627 4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.013 3.948 2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.488 4.739 1.986 1.00 0.00 H new ATOM 1264 N SER A 82 -3.199 -0.502 3.791 1.00 0.00 N ATOM 1265 CA SER A 82 -4.164 -1.606 3.732 1.00 0.00 C ATOM 1266 C SER A 82 -5.333 -1.386 4.699 1.00 0.00 C ATOM 1267 O SER A 82 -6.399 -1.991 4.548 1.00 0.00 O ATOM 1268 CB SER A 82 -3.462 -2.928 4.060 1.00 0.00 C ATOM 1269 OG SER A 82 -2.988 -2.940 5.396 1.00 0.00 O ATOM 0 H SER A 82 -2.283 -0.766 4.154 1.00 0.00 H new ATOM 0 HA SER A 82 -4.568 -1.644 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.154 -3.757 3.909 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.628 -3.080 3.374 1.00 0.00 H new ATOM 0 HG SER A 82 -2.176 -2.394 5.460 1.00 0.00 H new ATOM 1275 N SER A 83 -5.117 -0.519 5.690 1.00 0.00 N ATOM 1276 CA SER A 83 -6.128 -0.210 6.701 1.00 0.00 C ATOM 1277 C SER A 83 -7.345 0.527 6.128 1.00 0.00 C ATOM 1278 O SER A 83 -8.390 0.578 6.783 1.00 0.00 O ATOM 1279 CB SER A 83 -5.504 0.626 7.821 1.00 0.00 C ATOM 1280 OG SER A 83 -4.978 1.842 7.321 1.00 0.00 O ATOM 0 H SER A 83 -4.240 -0.013 5.814 1.00 0.00 H new ATOM 0 HA SER A 83 -6.485 -1.163 7.090 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.255 0.837 8.582 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.711 0.056 8.305 1.00 0.00 H new ATOM 0 HG SER A 83 -4.587 2.357 8.058 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.221 1.101 4.923 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.348 1.828 4.324 1.00 0.00 C ATOM 1288 C ILE A 84 -9.066 1.020 3.238 1.00 0.00 C ATOM 1289 O ILE A 84 -10.011 1.520 2.620 1.00 0.00 O ATOM 1290 CB ILE A 84 -7.932 3.206 3.752 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.921 3.060 2.614 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.363 4.082 4.862 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.865 4.268 1.710 1.00 0.00 C ATOM 0 H ILE A 84 -6.374 1.078 4.356 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.044 1.991 5.147 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.822 3.683 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.932 2.884 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.176 2.182 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.073 5.049 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.119 4.228 5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.489 3.596 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.129 4.100 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.845 4.432 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.581 5.145 2.292 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.628 -0.225 3.004 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.263 -1.065 1.983 1.00 0.00 C ATOM 1307 C VAL A 85 -9.859 -2.342 2.577 1.00 0.00 C ATOM 1308 O VAL A 85 -9.420 -2.818 3.628 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.291 -1.431 0.831 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -7.829 -0.179 0.100 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.093 -2.228 1.335 1.00 0.00 C ATOM 0 H VAL A 85 -7.852 -0.665 3.498 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.072 -0.463 1.570 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.837 -2.064 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.148 -0.458 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.693 0.338 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.315 0.481 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.436 -2.465 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.546 -1.637 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.439 -3.152 1.798 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.858 -2.887 1.881 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.532 -4.112 2.300 1.00 0.00 C ATOM 1323 C ARG A 86 -11.399 -5.178 1.217 1.00 0.00 C ATOM 1324 O ARG A 86 -11.953 -5.036 0.122 1.00 0.00 O ATOM 1325 CB ARG A 86 -13.003 -3.835 2.601 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.728 -5.026 3.205 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.937 -4.581 3.997 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.652 -5.710 4.593 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.755 -5.594 5.342 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -17.284 -4.401 5.599 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -17.329 -6.682 5.836 1.00 0.00 N ATOM 0 H ARG A 86 -11.220 -2.491 1.014 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.060 -4.479 3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.074 -2.990 3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.506 -3.541 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.039 -5.707 2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.048 -5.580 3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.622 -3.896 4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.613 -4.028 3.345 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.286 -6.647 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.849 -3.558 5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.125 -4.329 6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.930 -7.601 5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.170 -6.600 6.408 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.649 -6.235 1.529 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.417 -7.326 0.587 1.00 0.00 C ATOM 1347 C GLU A 87 -11.540 -8.352 0.662 1.00 0.00 C ATOM 1348 O GLU A 87 -12.030 -8.669 1.749 1.00 0.00 O ATOM 1349 CB GLU A 87 -9.072 -8.012 0.861 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.895 -7.058 0.967 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.746 -6.453 2.352 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -7.515 -7.216 3.313 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -7.864 -5.217 2.476 1.00 0.00 O ATOM 0 H GLU A 87 -10.190 -6.357 2.432 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.394 -6.897 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.149 -8.580 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.874 -8.728 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.979 -7.589 0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.016 -6.257 0.238 1.00 0.00 H new ATOM 1360 N ASP A 88 -11.941 -8.866 -0.503 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.010 -9.859 -0.584 1.00 0.00 C ATOM 1362 C ASP A 88 -12.847 -10.730 -1.829 1.00 0.00 C ATOM 1363 O ASP A 88 -13.238 -11.900 -1.830 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.377 -9.153 -0.600 1.00 0.00 C ATOM 1365 CG ASP A 88 -15.550 -10.102 -0.409 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -15.822 -10.915 -1.318 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -16.198 -10.032 0.657 1.00 0.00 O ATOM 0 H ASP A 88 -11.539 -8.609 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.953 -10.506 0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.397 -8.399 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.495 -8.628 -1.548 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.278 -10.152 -2.891 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.084 -10.878 -4.148 1.00 0.00 C ATOM 1374 C GLN A 89 -10.614 -10.902 -4.580 1.00 0.00 C ATOM 1375 O GLN A 89 -10.014 -9.861 -4.821 1.00 0.00 O ATOM 1376 CB GLN A 89 -12.979 -10.256 -5.235 1.00 0.00 C ATOM 1377 CG GLN A 89 -12.728 -10.754 -6.657 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.745 -12.265 -6.799 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.653 -12.800 -7.330 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.718 -12.933 -6.449 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.945 -9.188 -2.905 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.373 -11.918 -3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.020 -10.451 -4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.843 -9.175 -5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.484 -10.330 -7.317 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.762 -10.379 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.534 -12.473 -6.046 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.708 -13.947 -6.562 1.00 0.00 H new ATOM 1389 N THR A 90 -10.061 -12.117 -4.693 1.00 0.00 N ATOM 1390 CA THR A 90 -8.673 -12.316 -5.122 1.00 0.00 C ATOM 1391 C THR A 90 -8.665 -12.759 -6.586 1.00 0.00 C ATOM 1392 O THR A 90 -9.201 -13.817 -6.924 1.00 0.00 O ATOM 1393 CB THR A 90 -7.983 -13.360 -4.234 1.00 0.00 C ATOM 1394 OG1 THR A 90 -8.150 -13.040 -2.864 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.495 -13.494 -4.486 1.00 0.00 C ATOM 0 H THR A 90 -10.560 -12.983 -4.491 1.00 0.00 H new ATOM 0 HA THR A 90 -8.122 -11.381 -5.026 1.00 0.00 H new ATOM 0 HB THR A 90 -8.462 -14.305 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.705 -13.718 -2.313 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.080 -14.251 -3.820 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.327 -13.790 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.007 -12.538 -4.298 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.090 -11.925 -7.450 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.059 -12.193 -8.891 1.00 0.00 C ATOM 1405 C LEU A 91 -6.874 -13.066 -9.297 1.00 0.00 C ATOM 1406 O LEU A 91 -6.887 -13.664 -10.377 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.968 -10.864 -9.658 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.853 -9.721 -9.137 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.381 -8.392 -9.698 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.317 -9.949 -9.478 1.00 0.00 C ATOM 0 H LEU A 91 -7.636 -11.053 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.976 -12.729 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.931 -10.529 -9.642 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.227 -11.051 -10.700 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.765 -9.700 -8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.017 -7.591 -9.321 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.351 -8.213 -9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.436 -8.416 -10.786 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.913 -9.121 -9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.433 -10.009 -10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.655 -10.881 -9.025 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.856 -13.129 -8.435 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.647 -13.924 -8.711 1.00 0.00 C ATOM 1424 C LYS A 92 -3.775 -14.061 -7.446 1.00 0.00 C ATOM 1425 O LYS A 92 -3.517 -13.062 -6.776 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.830 -13.268 -9.844 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.669 -14.123 -10.357 1.00 0.00 C ATOM 1428 CD LYS A 92 -2.899 -14.619 -11.785 1.00 0.00 C ATOM 1429 CE LYS A 92 -3.965 -15.707 -11.871 1.00 0.00 C ATOM 1430 NZ LYS A 92 -3.552 -16.955 -11.169 1.00 0.00 N ATOM 0 H LYS A 92 -5.841 -12.641 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.959 -14.921 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.498 -13.045 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.436 -12.316 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.748 -13.540 -10.321 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.531 -14.978 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.194 -13.778 -12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.961 -15.004 -12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.894 -15.338 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.169 -15.931 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.611 -17.759 -11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.574 -16.856 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.183 -17.123 -10.359 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.308 -15.299 -7.088 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.469 -15.529 -5.893 1.00 0.00 C ATOM 1446 C PRO A 93 -1.182 -14.705 -5.882 1.00 0.00 C ATOM 1447 O PRO A 93 -0.419 -14.717 -6.851 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.122 -17.017 -5.998 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.260 -17.597 -6.740 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.561 -16.580 -7.794 1.00 0.00 C ATOM 0 HA PRO A 93 -2.994 -15.239 -4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.181 -17.171 -6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.014 -17.472 -5.014 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.001 -18.561 -7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.118 -17.763 -6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.917 -16.697 -8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.590 -16.653 -8.146 1.00 0.00 H new ATOM 1458 N GLY A 94 -0.949 -14.011 -4.768 1.00 0.00 N ATOM 1459 CA GLY A 94 0.251 -13.202 -4.618 1.00 0.00 C ATOM 1460 C GLY A 94 1.242 -13.860 -3.685 1.00 0.00 C ATOM 1461 O GLY A 94 1.290 -13.544 -2.494 1.00 0.00 O ATOM 0 H GLY A 94 -1.574 -13.995 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.713 -13.048 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.017 -12.218 -4.233 1.00 0.00 H new ATOM 1465 N LYS A 95 2.015 -14.794 -4.231 1.00 0.00 N ATOM 1466 CA LYS A 95 3.003 -15.538 -3.453 1.00 0.00 C ATOM 1467 C LYS A 95 4.413 -15.448 -4.055 1.00 0.00 C ATOM 1468 O LYS A 95 5.228 -16.361 -3.888 1.00 0.00 O ATOM 1469 CB LYS A 95 2.565 -17.005 -3.296 1.00 0.00 C ATOM 1470 CG LYS A 95 1.798 -17.555 -4.493 1.00 0.00 C ATOM 1471 CD LYS A 95 1.566 -19.062 -4.393 1.00 0.00 C ATOM 1472 CE LYS A 95 0.613 -19.436 -3.260 1.00 0.00 C ATOM 1473 NZ LYS A 95 -0.744 -18.852 -3.452 1.00 0.00 N ATOM 0 H LYS A 95 1.976 -15.056 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 95 3.054 -15.076 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.448 -17.621 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.942 -17.094 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.837 -17.046 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.350 -17.335 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.163 -19.427 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.522 -19.563 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.534 -20.521 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.025 -19.090 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.385 -19.213 -2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.689 -17.816 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.108 -19.119 -4.389 1.00 0.00 H new ATOM 1487 N VAL A 96 4.701 -14.332 -4.735 1.00 0.00 N ATOM 1488 CA VAL A 96 6.021 -14.112 -5.339 1.00 0.00 C ATOM 1489 C VAL A 96 6.705 -12.912 -4.675 1.00 0.00 C ATOM 1490 O VAL A 96 6.079 -11.873 -4.474 1.00 0.00 O ATOM 1491 CB VAL A 96 5.919 -13.882 -6.872 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.297 -13.707 -7.503 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.180 -15.035 -7.537 1.00 0.00 C ATOM 0 H VAL A 96 4.040 -13.569 -4.881 1.00 0.00 H new ATOM 0 HA VAL A 96 6.617 -15.010 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 96 5.356 -12.962 -7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.188 -13.548 -8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.795 -12.846 -7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.894 -14.602 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.118 -14.857 -8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.718 -15.965 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.174 -15.110 -7.123 1.00 0.00 H new ATOM 1503 N ASP A 97 7.985 -13.071 -4.326 1.00 0.00 N ATOM 1504 CA ASP A 97 8.746 -12.004 -3.670 1.00 0.00 C ATOM 1505 C ASP A 97 9.693 -11.312 -4.654 1.00 0.00 C ATOM 1506 O ASP A 97 10.614 -11.933 -5.190 1.00 0.00 O ATOM 1507 CB ASP A 97 9.534 -12.580 -2.484 1.00 0.00 C ATOM 1508 CG ASP A 97 10.176 -11.516 -1.597 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.933 -10.310 -1.820 1.00 0.00 O ATOM 1510 OD2 ASP A 97 10.915 -11.898 -0.667 1.00 0.00 O ATOM 0 H ASP A 97 8.515 -13.927 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 97 8.042 -11.256 -3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.865 -13.190 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.313 -13.241 -2.864 1.00 0.00 H new ATOM 1515 N VAL A 98 9.453 -10.014 -4.875 1.00 0.00 N ATOM 1516 CA VAL A 98 10.271 -9.203 -5.781 1.00 0.00 C ATOM 1517 C VAL A 98 10.834 -7.993 -5.031 1.00 0.00 C ATOM 1518 O VAL A 98 10.100 -7.309 -4.323 1.00 0.00 O ATOM 1519 CB VAL A 98 9.454 -8.699 -7.005 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.367 -8.054 -8.042 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.647 -9.828 -7.635 1.00 0.00 C ATOM 0 H VAL A 98 8.691 -9.500 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 98 11.080 -9.837 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 98 8.755 -7.944 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.771 -7.710 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.884 -7.206 -7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.099 -8.784 -8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.087 -9.443 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.323 -10.615 -7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.953 -10.234 -6.899 1.00 0.00 H new ATOM 1531 N LYS A 99 12.133 -7.732 -5.192 1.00 0.00 N ATOM 1532 CA LYS A 99 12.779 -6.594 -4.526 1.00 0.00 C ATOM 1533 C LYS A 99 12.501 -5.290 -5.283 1.00 0.00 C ATOM 1534 O LYS A 99 12.075 -5.318 -6.440 1.00 0.00 O ATOM 1535 CB LYS A 99 14.292 -6.829 -4.406 1.00 0.00 C ATOM 1536 CG LYS A 99 14.992 -7.059 -5.733 1.00 0.00 C ATOM 1537 CD LYS A 99 16.496 -7.203 -5.554 1.00 0.00 C ATOM 1538 CE LYS A 99 17.198 -7.439 -6.883 1.00 0.00 C ATOM 1539 NZ LYS A 99 16.759 -8.706 -7.532 1.00 0.00 N ATOM 0 H LYS A 99 12.758 -8.289 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 99 12.360 -6.505 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.744 -5.968 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.465 -7.692 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.593 -7.957 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.783 -6.226 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.895 -6.303 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.705 -8.033 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.998 -6.602 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.276 -7.469 -6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.398 -8.931 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.782 -9.479 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.790 -8.594 -7.892 1.00 0.00 H new ATOM 1553 N THR A 100 12.738 -4.153 -4.618 1.00 0.00 N ATOM 1554 CA THR A 100 12.507 -2.841 -5.228 1.00 0.00 C ATOM 1555 C THR A 100 13.787 -2.281 -5.850 1.00 0.00 C ATOM 1556 O THR A 100 14.894 -2.675 -5.477 1.00 0.00 O ATOM 1557 CB THR A 100 11.960 -1.855 -4.191 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.869 -1.699 -3.117 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.625 -2.271 -3.609 1.00 0.00 C ATOM 0 H THR A 100 13.088 -4.116 -3.661 1.00 0.00 H new ATOM 0 HA THR A 100 11.771 -2.973 -6.021 1.00 0.00 H new ATOM 0 HB THR A 100 11.823 -0.918 -4.731 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.827 -2.487 -2.536 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.297 -1.528 -2.882 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.888 -2.347 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.728 -3.238 -3.117 1.00 0.00 H new ATOM 1567 N ASP A 101 13.615 -1.357 -6.801 1.00 0.00 N ATOM 1568 CA ASP A 101 14.739 -0.721 -7.492 1.00 0.00 C ATOM 1569 C ASP A 101 14.847 0.751 -7.098 1.00 0.00 C ATOM 1570 O ASP A 101 14.148 1.207 -6.190 1.00 0.00 O ATOM 1571 CB ASP A 101 14.573 -0.857 -9.011 1.00 0.00 C ATOM 1572 CG ASP A 101 14.619 -2.300 -9.483 1.00 0.00 C ATOM 1573 OD1 ASP A 101 13.727 -3.085 -9.096 1.00 0.00 O ATOM 1574 OD2 ASP A 101 15.550 -2.644 -10.240 1.00 0.00 O ATOM 0 H ASP A 101 12.699 -1.031 -7.111 1.00 0.00 H new ATOM 0 HA ASP A 101 15.659 -1.225 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.623 -0.412 -9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.360 -0.291 -9.510 1.00 0.00 H new ATOM 1579 N LYS A 102 15.730 1.490 -7.780 1.00 0.00 N ATOM 1580 CA LYS A 102 15.929 2.910 -7.491 1.00 0.00 C ATOM 1581 C LYS A 102 14.847 3.777 -8.136 1.00 0.00 C ATOM 1582 O LYS A 102 14.653 4.929 -7.738 1.00 0.00 O ATOM 1583 CB LYS A 102 17.342 3.369 -7.909 1.00 0.00 C ATOM 1584 CG LYS A 102 17.752 3.069 -9.358 1.00 0.00 C ATOM 1585 CD LYS A 102 17.236 4.099 -10.368 1.00 0.00 C ATOM 1586 CE LYS A 102 17.825 5.492 -10.165 1.00 0.00 C ATOM 1587 NZ LYS A 102 19.313 5.491 -10.251 1.00 0.00 N ATOM 0 H LYS A 102 16.315 1.127 -8.533 1.00 0.00 H new ATOM 0 HA LYS A 102 15.842 3.039 -6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.414 4.445 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.066 2.898 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.840 3.027 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.380 2.083 -9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.469 3.757 -11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.150 4.157 -10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.420 6.169 -10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.519 5.876 -9.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.659 6.471 -10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.709 5.021 -9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.611 4.981 -11.107 1.00 0.00 H new ATOM 1601 N TRP A 103 14.141 3.215 -9.121 1.00 0.00 N ATOM 1602 CA TRP A 103 13.070 3.935 -9.808 1.00 0.00 C ATOM 1603 C TRP A 103 11.824 3.990 -8.936 1.00 0.00 C ATOM 1604 O TRP A 103 10.977 4.871 -9.101 1.00 0.00 O ATOM 1605 CB TRP A 103 12.742 3.283 -11.156 1.00 0.00 C ATOM 1606 CG TRP A 103 13.880 3.329 -12.130 1.00 0.00 C ATOM 1607 CD1 TRP A 103 14.866 2.399 -12.283 1.00 0.00 C ATOM 1608 CD2 TRP A 103 14.164 4.375 -13.069 1.00 0.00 C ATOM 1609 NE1 TRP A 103 15.742 2.797 -13.264 1.00 0.00 N ATOM 1610 CE2 TRP A 103 15.331 4.006 -13.762 1.00 0.00 C ATOM 1611 CE3 TRP A 103 13.541 5.585 -13.393 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 15.890 4.804 -14.757 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 14.097 6.376 -14.381 1.00 0.00 C ATOM 1614 CH2 TRP A 103 15.261 5.983 -15.053 1.00 0.00 C ATOM 0 H TRP A 103 14.293 2.265 -9.459 1.00 0.00 H new ATOM 0 HA TRP A 103 13.416 4.951 -9.996 1.00 0.00 H new ATOM 0 HB2 TRP A 103 12.457 2.244 -10.989 1.00 0.00 H new ATOM 0 HB3 TRP A 103 11.878 3.784 -11.593 1.00 0.00 H new ATOM 0 HD1 TRP A 103 14.946 1.483 -11.716 1.00 0.00 H new ATOM 0 HE1 TRP A 103 16.564 2.277 -13.571 1.00 0.00 H new ATOM 0 HE3 TRP A 103 12.642 5.895 -12.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 16.788 4.503 -15.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 13.626 7.313 -14.639 1.00 0.00 H new ATOM 0 HH2 TRP A 103 15.671 6.623 -15.820 1.00 0.00 H new ATOM 1625 N ASP A 104 11.734 3.047 -7.997 1.00 0.00 N ATOM 1626 CA ASP A 104 10.610 2.979 -7.074 1.00 0.00 C ATOM 1627 C ASP A 104 10.780 4.021 -5.973 1.00 0.00 C ATOM 1628 O ASP A 104 11.895 4.233 -5.485 1.00 0.00 O ATOM 1629 CB ASP A 104 10.500 1.577 -6.463 1.00 0.00 C ATOM 1630 CG ASP A 104 10.184 0.509 -7.495 1.00 0.00 C ATOM 1631 OD1 ASP A 104 11.013 0.291 -8.404 1.00 0.00 O ATOM 1632 OD2 ASP A 104 9.104 -0.111 -7.394 1.00 0.00 O ATOM 0 H ASP A 104 12.433 2.317 -7.859 1.00 0.00 H new ATOM 0 HA ASP A 104 9.692 3.188 -7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.437 1.328 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.723 1.579 -5.699 1.00 0.00 H new ATOM 1637 N PHE A 105 9.665 4.667 -5.602 1.00 0.00 N ATOM 1638 CA PHE A 105 9.645 5.708 -4.560 1.00 0.00 C ATOM 1639 C PHE A 105 10.593 6.866 -4.915 1.00 0.00 C ATOM 1640 O PHE A 105 11.367 7.337 -4.075 1.00 0.00 O ATOM 1641 CB PHE A 105 9.998 5.129 -3.171 1.00 0.00 C ATOM 1642 CG PHE A 105 9.089 4.022 -2.693 1.00 0.00 C ATOM 1643 CD1 PHE A 105 9.339 2.700 -3.036 1.00 0.00 C ATOM 1644 CD2 PHE A 105 7.992 4.303 -1.892 1.00 0.00 C ATOM 1645 CE1 PHE A 105 8.515 1.686 -2.592 1.00 0.00 C ATOM 1646 CE2 PHE A 105 7.165 3.290 -1.446 1.00 0.00 C ATOM 1647 CZ PHE A 105 7.427 1.981 -1.797 1.00 0.00 C ATOM 0 H PHE A 105 8.751 4.484 -6.015 1.00 0.00 H new ATOM 0 HA PHE A 105 8.628 6.097 -4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 105 11.021 4.753 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.977 5.938 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 105 10.189 2.462 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 105 7.782 5.325 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.722 0.662 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.314 3.522 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.781 1.189 -1.450 1.00 0.00 H new ATOM 1657 N TYR A 106 10.519 7.319 -6.171 1.00 0.00 N ATOM 1658 CA TYR A 106 11.357 8.418 -6.656 1.00 0.00 C ATOM 1659 C TYR A 106 10.551 9.320 -7.595 1.00 0.00 C ATOM 1660 O TYR A 106 10.332 8.988 -8.764 1.00 0.00 O ATOM 1661 CB TYR A 106 12.619 7.855 -7.355 1.00 0.00 C ATOM 1662 CG TYR A 106 13.627 8.891 -7.866 1.00 0.00 C ATOM 1663 CD1 TYR A 106 13.907 10.070 -7.165 1.00 0.00 C ATOM 1664 CD2 TYR A 106 14.305 8.674 -9.063 1.00 0.00 C ATOM 1665 CE1 TYR A 106 14.821 10.987 -7.648 1.00 0.00 C ATOM 1666 CE2 TYR A 106 15.220 9.590 -9.546 1.00 0.00 C ATOM 1667 CZ TYR A 106 15.473 10.743 -8.835 1.00 0.00 C ATOM 1668 OH TYR A 106 16.385 11.655 -9.316 1.00 0.00 O ATOM 0 H TYR A 106 9.884 6.938 -6.872 1.00 0.00 H new ATOM 0 HA TYR A 106 11.684 9.023 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 106 13.131 7.193 -6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 106 12.300 7.243 -8.198 1.00 0.00 H new ATOM 0 HD1 TYR A 106 13.400 10.266 -6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.112 7.772 -9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.023 11.893 -7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.735 9.403 -10.477 1.00 0.00 H new ATOM 0 HH TYR A 106 16.756 11.331 -10.163 1.00 0.00 H new