USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 672 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 6 SER OG : rot 150:sc= -0.0214 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 29 SER OG : rot 180:sc= -0.0105 USER MOD Set 2.1: A 17 HIS : no HD1:sc= -0.343 X(o=-1,f=-1.2) USER MOD Set 2.2: A 81 GLN : amide:sc= -0.663 K(o=-1,f=-4!) USER MOD Set 3.1: A 16 ASN : amide:sc= -4.84! C(o=-4.8!,f=-19!) USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 15 SER OG : rot -50:sc= 0.891 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -158:sc= -0.0752 (180deg=-0.767) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 148:sc= -0.258 (180deg=-1.01) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00682 USER MOD Single : A 66 GLN : amide:sc= -0.0285 K(o=-0.028,f=-0.57) USER MOD Single : A 67 THR OG1 : rot -53:sc= 1.27 USER MOD Single : A 71 ASN : amide:sc= -0.555 K(o=-0.55,f=-1.9!) USER MOD Single : A 72 THR OG1 : rot 94:sc= 0.133 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.522 F(o=-1.9,f=-0.52) USER MOD Single : A 75 MET CE :methyl -135:sc= -1.72! (180deg=-2.59!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.065 (180deg=-0.387) USER MOD Single : A 84 MET CE :methyl -132:sc= -1.57! (180deg=-4.81!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.769 19.450 18.646 1.00 0.00 N ATOM 2 CA GLY A 1 9.808 18.919 17.698 1.00 0.00 C ATOM 3 C GLY A 1 10.370 18.827 16.293 1.00 0.00 C ATOM 4 O GLY A 1 10.947 19.787 15.784 1.00 0.00 O ATOM 0 H1 GLY A 1 10.337 19.493 19.591 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.605 18.832 18.675 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.055 20.406 18.352 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.489 17.929 18.024 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.921 19.553 17.691 1.00 0.00 H new ATOM 8 N SER A 2 10.203 17.667 15.665 1.00 0.00 N ATOM 9 CA SER A 2 10.703 17.451 14.313 1.00 0.00 C ATOM 10 C SER A 2 9.601 17.678 13.282 1.00 0.00 C ATOM 11 O SER A 2 8.470 17.227 13.458 1.00 0.00 O ATOM 12 CB SER A 2 11.263 16.034 14.173 1.00 0.00 C ATOM 13 OG SER A 2 12.410 15.856 14.986 1.00 0.00 O ATOM 0 H SER A 2 9.725 16.863 16.071 1.00 0.00 H new ATOM 0 HA SER A 2 11.502 18.170 14.130 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.499 15.308 14.453 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.519 15.842 13.131 1.00 0.00 H new ATOM 0 HG SER A 2 12.748 14.942 14.880 1.00 0.00 H new ATOM 19 N SER A 3 9.941 18.383 12.208 1.00 0.00 N ATOM 20 CA SER A 3 8.981 18.676 11.151 1.00 0.00 C ATOM 21 C SER A 3 8.319 17.395 10.649 1.00 0.00 C ATOM 22 O SER A 3 8.888 16.310 10.747 1.00 0.00 O ATOM 23 CB SER A 3 9.670 19.394 9.990 1.00 0.00 C ATOM 24 OG SER A 3 8.730 20.089 9.189 1.00 0.00 O ATOM 0 H SER A 3 10.874 18.762 12.047 1.00 0.00 H new ATOM 0 HA SER A 3 8.211 19.327 11.565 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.409 20.094 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.208 18.670 9.379 1.00 0.00 H new ATOM 0 HG SER A 3 9.196 20.541 8.455 1.00 0.00 H new ATOM 30 N GLY A 4 7.110 17.533 10.111 1.00 0.00 N ATOM 31 CA GLY A 4 6.390 16.380 9.602 1.00 0.00 C ATOM 32 C GLY A 4 6.627 15.135 10.433 1.00 0.00 C ATOM 33 O GLY A 4 6.542 15.174 11.660 1.00 0.00 O ATOM 0 H GLY A 4 6.617 18.421 10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.323 16.602 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.696 16.190 8.573 1.00 0.00 H new ATOM 37 N SER A 5 6.923 14.026 9.763 1.00 0.00 N ATOM 38 CA SER A 5 7.167 12.761 10.447 1.00 0.00 C ATOM 39 C SER A 5 8.558 12.226 10.120 1.00 0.00 C ATOM 40 O SER A 5 9.462 12.263 10.954 1.00 0.00 O ATOM 41 CB SER A 5 6.107 11.731 10.055 1.00 0.00 C ATOM 42 OG SER A 5 4.800 12.243 10.255 1.00 0.00 O ATOM 0 H SER A 5 7.000 13.978 8.747 1.00 0.00 H new ATOM 0 HA SER A 5 7.109 12.940 11.521 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.236 11.452 9.009 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.240 10.825 10.645 1.00 0.00 H new ATOM 0 HG SER A 5 4.140 11.566 9.995 1.00 0.00 H new ATOM 48 N SER A 6 8.721 11.729 8.898 1.00 0.00 N ATOM 49 CA SER A 6 10.000 11.182 8.459 1.00 0.00 C ATOM 50 C SER A 6 10.629 12.064 7.386 1.00 0.00 C ATOM 51 O SER A 6 10.039 13.055 6.956 1.00 0.00 O ATOM 52 CB SER A 6 9.814 9.761 7.923 1.00 0.00 C ATOM 53 OG SER A 6 11.058 9.093 7.808 1.00 0.00 O ATOM 0 H SER A 6 7.984 11.694 8.194 1.00 0.00 H new ATOM 0 HA SER A 6 10.669 11.154 9.319 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.157 9.201 8.588 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.326 9.797 6.949 1.00 0.00 H new ATOM 0 HG SER A 6 10.926 8.131 7.940 1.00 0.00 H new ATOM 59 N GLY A 7 11.832 11.698 6.957 1.00 0.00 N ATOM 60 CA GLY A 7 12.523 12.466 5.938 1.00 0.00 C ATOM 61 C GLY A 7 12.302 11.909 4.544 1.00 0.00 C ATOM 62 O GLY A 7 11.589 12.491 3.727 1.00 0.00 O ATOM 0 H GLY A 7 12.341 10.882 7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.180 13.500 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.591 12.477 6.157 1.00 0.00 H new ATOM 66 N PRO A 8 12.927 10.759 4.257 1.00 0.00 N ATOM 67 CA PRO A 8 12.813 10.099 2.953 1.00 0.00 C ATOM 68 C PRO A 8 11.422 9.518 2.718 1.00 0.00 C ATOM 69 O PRO A 8 10.608 9.441 3.637 1.00 0.00 O ATOM 70 CB PRO A 8 13.854 8.980 3.027 1.00 0.00 C ATOM 71 CG PRO A 8 14.001 8.696 4.482 1.00 0.00 C ATOM 72 CD PRO A 8 13.793 10.010 5.183 1.00 0.00 C ATOM 0 HA PRO A 8 12.974 10.794 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.524 8.095 2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.801 9.291 2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.270 7.958 4.811 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.987 8.288 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.320 9.876 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.737 10.526 5.356 1.00 0.00 H new ATOM 80 N ALA A 9 11.158 9.110 1.480 1.00 0.00 N ATOM 81 CA ALA A 9 9.867 8.532 1.125 1.00 0.00 C ATOM 82 C ALA A 9 9.956 7.751 -0.182 1.00 0.00 C ATOM 83 O ALA A 9 10.754 8.080 -1.058 1.00 0.00 O ATOM 84 CB ALA A 9 8.813 9.625 1.020 1.00 0.00 C ATOM 0 H ALA A 9 11.821 9.169 0.707 1.00 0.00 H new ATOM 0 HA ALA A 9 9.577 7.837 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.854 9.181 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.723 10.137 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.106 10.341 0.252 1.00 0.00 H new ATOM 90 N ARG A 10 9.130 6.717 -0.303 1.00 0.00 N ATOM 91 CA ARG A 10 9.117 5.888 -1.502 1.00 0.00 C ATOM 92 C ARG A 10 7.742 5.910 -2.164 1.00 0.00 C ATOM 93 O ARG A 10 6.707 5.933 -1.498 1.00 0.00 O ATOM 94 CB ARG A 10 9.506 4.449 -1.159 1.00 0.00 C ATOM 95 CG ARG A 10 10.956 4.297 -0.727 1.00 0.00 C ATOM 96 CD ARG A 10 11.162 3.040 0.103 1.00 0.00 C ATOM 97 NE ARG A 10 12.576 2.758 0.328 1.00 0.00 N ATOM 98 CZ ARG A 10 13.015 1.799 1.135 1.00 0.00 C ATOM 99 NH1 ARG A 10 12.153 1.033 1.791 1.00 0.00 N ATOM 100 NH2 ARG A 10 14.319 1.603 1.288 1.00 0.00 N ATOM 0 H ARG A 10 8.462 6.434 0.414 1.00 0.00 H new ATOM 0 HA ARG A 10 9.846 6.297 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.858 4.087 -0.361 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.326 3.816 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.597 4.262 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.258 5.170 -0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 10 10.658 3.153 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.699 2.192 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 10 13.265 3.329 -0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.150 1.180 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.493 0.297 2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.985 2.189 0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.655 0.866 1.908 1.00 0.00 H new ATOM 114 N PRO A 11 7.730 5.903 -3.505 1.00 0.00 N ATOM 115 CA PRO A 11 6.489 5.922 -4.285 1.00 0.00 C ATOM 116 C PRO A 11 5.714 4.613 -4.174 1.00 0.00 C ATOM 117 O PRO A 11 6.302 3.531 -4.161 1.00 0.00 O ATOM 118 CB PRO A 11 6.975 6.135 -5.721 1.00 0.00 C ATOM 119 CG PRO A 11 8.367 5.603 -5.731 1.00 0.00 C ATOM 120 CD PRO A 11 8.925 5.876 -4.363 1.00 0.00 C ATOM 0 HA PRO A 11 5.800 6.691 -3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.344 5.607 -6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.952 7.190 -5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.375 4.535 -5.950 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.965 6.090 -6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.625 5.100 -4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.464 6.823 -4.331 1.00 0.00 H new ATOM 128 N PHE A 12 4.392 4.718 -4.093 1.00 0.00 N ATOM 129 CA PHE A 12 3.536 3.542 -3.982 1.00 0.00 C ATOM 130 C PHE A 12 2.195 3.779 -4.669 1.00 0.00 C ATOM 131 O PHE A 12 1.670 4.892 -4.663 1.00 0.00 O ATOM 132 CB PHE A 12 3.314 3.184 -2.512 1.00 0.00 C ATOM 133 CG PHE A 12 4.576 2.818 -1.786 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.417 1.835 -2.282 1.00 0.00 C ATOM 135 CD2 PHE A 12 4.923 3.457 -0.606 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.580 1.496 -1.616 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.085 3.123 0.064 1.00 0.00 C ATOM 138 CZ PHE A 12 6.913 2.141 -0.442 1.00 0.00 C ATOM 0 H PHE A 12 3.890 5.606 -4.102 1.00 0.00 H new ATOM 0 HA PHE A 12 4.036 2.711 -4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.846 4.029 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.615 2.350 -2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.161 1.327 -3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.278 4.225 -0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.227 0.728 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.345 3.629 0.982 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.821 1.878 0.080 1.00 0.00 H new ATOM 148 N ARG A 13 1.646 2.723 -5.261 1.00 0.00 N ATOM 149 CA ARG A 13 0.366 2.816 -5.954 1.00 0.00 C ATOM 150 C ARG A 13 -0.719 2.057 -5.196 1.00 0.00 C ATOM 151 O ARG A 13 -0.553 0.883 -4.862 1.00 0.00 O ATOM 152 CB ARG A 13 0.491 2.265 -7.376 1.00 0.00 C ATOM 153 CG ARG A 13 1.117 3.243 -8.356 1.00 0.00 C ATOM 154 CD ARG A 13 2.632 3.256 -8.240 1.00 0.00 C ATOM 155 NE ARG A 13 3.205 4.521 -8.693 1.00 0.00 N ATOM 156 CZ ARG A 13 3.318 4.861 -9.972 1.00 0.00 C ATOM 157 NH1 ARG A 13 2.899 4.036 -10.920 1.00 0.00 N ATOM 158 NH2 ARG A 13 3.851 6.030 -10.304 1.00 0.00 N ATOM 0 H ARG A 13 2.067 1.794 -5.275 1.00 0.00 H new ATOM 0 HA ARG A 13 0.083 3.867 -6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.090 1.354 -7.352 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.499 1.986 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.831 2.974 -9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.728 4.244 -8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.918 3.079 -7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.048 2.438 -8.829 1.00 0.00 H new ATOM 0 HE ARG A 13 3.537 5.180 -7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.488 3.137 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.987 4.300 -11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.174 6.668 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.938 6.290 -11.286 1.00 0.00 H new ATOM 172 N VAL A 14 -1.830 2.736 -4.927 1.00 0.00 N ATOM 173 CA VAL A 14 -2.943 2.125 -4.209 1.00 0.00 C ATOM 174 C VAL A 14 -4.179 2.022 -5.095 1.00 0.00 C ATOM 175 O VAL A 14 -4.513 2.955 -5.824 1.00 0.00 O ATOM 176 CB VAL A 14 -3.299 2.926 -2.941 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.246 2.130 -2.056 1.00 0.00 C ATOM 178 CG2 VAL A 14 -2.039 3.307 -2.181 1.00 0.00 C ATOM 0 H VAL A 14 -1.983 3.708 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.623 1.124 -3.921 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.805 3.843 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.486 2.711 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.162 1.913 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.769 1.195 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.309 3.872 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.502 2.404 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.401 3.919 -2.818 1.00 0.00 H new ATOM 188 N SER A 15 -4.853 0.879 -5.029 1.00 0.00 N ATOM 189 CA SER A 15 -6.052 0.651 -5.828 1.00 0.00 C ATOM 190 C SER A 15 -7.175 0.076 -4.971 1.00 0.00 C ATOM 191 O SER A 15 -6.931 -0.682 -4.034 1.00 0.00 O ATOM 192 CB SER A 15 -5.743 -0.298 -6.988 1.00 0.00 C ATOM 193 OG SER A 15 -5.178 0.402 -8.083 1.00 0.00 O ATOM 0 H SER A 15 -4.590 0.096 -4.431 1.00 0.00 H new ATOM 0 HA SER A 15 -6.380 1.610 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.054 -1.074 -6.654 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.657 -0.799 -7.305 1.00 0.00 H new ATOM 0 HG SER A 15 -5.736 1.178 -8.298 1.00 0.00 H new ATOM 199 N ASN A 16 -8.409 0.445 -5.300 1.00 0.00 N ATOM 200 CA ASN A 16 -9.572 -0.033 -4.562 1.00 0.00 C ATOM 201 C ASN A 16 -9.799 -1.521 -4.807 1.00 0.00 C ATOM 202 O ASN A 16 -9.070 -2.154 -5.571 1.00 0.00 O ATOM 203 CB ASN A 16 -10.818 0.758 -4.965 1.00 0.00 C ATOM 204 CG ASN A 16 -11.225 0.501 -6.404 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.942 -0.559 -6.961 1.00 0.00 O ATOM 206 ND2 ASN A 16 -11.891 1.476 -7.013 1.00 0.00 N ATOM 0 H ASN A 16 -8.629 1.073 -6.073 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.383 0.117 -3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.643 0.493 -4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.629 1.823 -4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.189 1.362 -7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.104 2.338 -6.512 1.00 0.00 H new ATOM 213 N HIS A 17 -10.816 -2.075 -4.152 1.00 0.00 N ATOM 214 CA HIS A 17 -11.139 -3.490 -4.300 1.00 0.00 C ATOM 215 C HIS A 17 -11.443 -3.829 -5.756 1.00 0.00 C ATOM 216 O HIS A 17 -11.054 -4.887 -6.251 1.00 0.00 O ATOM 217 CB HIS A 17 -12.334 -3.856 -3.419 1.00 0.00 C ATOM 218 CG HIS A 17 -13.597 -3.143 -3.797 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.530 -3.674 -4.662 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.079 -1.936 -3.420 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.531 -2.824 -4.803 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.282 -1.760 -4.059 1.00 0.00 N ATOM 0 H HIS A 17 -11.429 -1.566 -3.515 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.272 -4.070 -3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.502 -4.931 -3.477 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.094 -3.627 -2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.606 -1.241 -2.743 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.404 -2.973 -5.421 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.885 -0.942 -3.973 1.00 0.00 H new ATOM 231 N ASP A 18 -12.140 -2.925 -6.436 1.00 0.00 N ATOM 232 CA ASP A 18 -12.495 -3.127 -7.836 1.00 0.00 C ATOM 233 C ASP A 18 -11.343 -2.729 -8.752 1.00 0.00 C ATOM 234 O ASP A 18 -11.524 -2.571 -9.960 1.00 0.00 O ATOM 235 CB ASP A 18 -13.746 -2.322 -8.188 1.00 0.00 C ATOM 236 CG ASP A 18 -14.227 -2.588 -9.601 1.00 0.00 C ATOM 237 OD1 ASP A 18 -14.532 -3.758 -9.914 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.301 -1.626 -10.393 1.00 0.00 O ATOM 0 H ASP A 18 -12.470 -2.045 -6.040 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.702 -4.187 -7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.542 -2.566 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.535 -1.259 -8.073 1.00 0.00 H new ATOM 243 N ARG A 19 -10.159 -2.567 -8.170 1.00 0.00 N ATOM 244 CA ARG A 19 -8.979 -2.184 -8.935 1.00 0.00 C ATOM 245 C ARG A 19 -9.343 -1.196 -10.039 1.00 0.00 C ATOM 246 O ARG A 19 -8.857 -1.302 -11.165 1.00 0.00 O ATOM 247 CB ARG A 19 -8.314 -3.421 -9.541 1.00 0.00 C ATOM 248 CG ARG A 19 -7.269 -4.055 -8.638 1.00 0.00 C ATOM 249 CD ARG A 19 -6.768 -5.374 -9.206 1.00 0.00 C ATOM 250 NE ARG A 19 -5.739 -5.176 -10.223 1.00 0.00 N ATOM 251 CZ ARG A 19 -4.840 -6.099 -10.548 1.00 0.00 C ATOM 252 NH1 ARG A 19 -4.845 -7.278 -9.940 1.00 0.00 N ATOM 253 NH2 ARG A 19 -3.933 -5.845 -11.483 1.00 0.00 N ATOM 0 H ARG A 19 -9.992 -2.695 -7.172 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.278 -1.700 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.082 -4.161 -9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.846 -3.145 -10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.431 -3.370 -8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.695 -4.222 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.367 -5.987 -8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.604 -5.923 -9.638 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.709 -4.281 -10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.540 -7.478 -9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.154 -7.985 -10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.925 -4.940 -11.953 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.244 -6.555 -11.731 1.00 0.00 H new ATOM 267 N SER A 20 -10.199 -0.236 -9.708 1.00 0.00 N ATOM 268 CA SER A 20 -10.633 0.769 -10.672 1.00 0.00 C ATOM 269 C SER A 20 -10.063 2.140 -10.321 1.00 0.00 C ATOM 270 O SER A 20 -9.904 2.999 -11.188 1.00 0.00 O ATOM 271 CB SER A 20 -12.160 0.835 -10.721 1.00 0.00 C ATOM 272 OG SER A 20 -12.611 1.295 -11.983 1.00 0.00 O ATOM 0 H SER A 20 -10.607 -0.132 -8.779 1.00 0.00 H new ATOM 0 HA SER A 20 -10.259 0.480 -11.654 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.576 -0.152 -10.520 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.524 1.499 -9.937 1.00 0.00 H new ATOM 0 HG SER A 20 -13.590 1.327 -11.989 1.00 0.00 H new ATOM 278 N SER A 21 -9.758 2.337 -9.042 1.00 0.00 N ATOM 279 CA SER A 21 -9.210 3.604 -8.573 1.00 0.00 C ATOM 280 C SER A 21 -7.689 3.538 -8.482 1.00 0.00 C ATOM 281 O SER A 21 -7.111 2.460 -8.343 1.00 0.00 O ATOM 282 CB SER A 21 -9.800 3.966 -7.208 1.00 0.00 C ATOM 283 OG SER A 21 -11.075 4.567 -7.346 1.00 0.00 O ATOM 0 H SER A 21 -9.881 1.635 -8.312 1.00 0.00 H new ATOM 0 HA SER A 21 -9.480 4.377 -9.293 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.882 3.069 -6.595 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.128 4.648 -6.687 1.00 0.00 H new ATOM 0 HG SER A 21 -11.431 4.787 -6.460 1.00 0.00 H new ATOM 289 N ARG A 22 -7.046 4.698 -8.562 1.00 0.00 N ATOM 290 CA ARG A 22 -5.592 4.773 -8.489 1.00 0.00 C ATOM 291 C ARG A 22 -5.150 5.950 -7.624 1.00 0.00 C ATOM 292 O ARG A 22 -5.385 7.108 -7.968 1.00 0.00 O ATOM 293 CB ARG A 22 -4.996 4.905 -9.892 1.00 0.00 C ATOM 294 CG ARG A 22 -5.398 3.781 -10.833 1.00 0.00 C ATOM 295 CD ARG A 22 -5.448 4.253 -12.277 1.00 0.00 C ATOM 296 NE ARG A 22 -5.313 3.147 -13.221 1.00 0.00 N ATOM 297 CZ ARG A 22 -5.771 3.185 -14.467 1.00 0.00 C ATOM 298 NH1 ARG A 22 -6.388 4.268 -14.919 1.00 0.00 N ATOM 299 NH2 ARG A 22 -5.609 2.137 -15.266 1.00 0.00 N ATOM 0 H ARG A 22 -7.509 5.599 -8.677 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.229 3.853 -8.032 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.308 5.857 -10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.909 4.931 -9.815 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.689 2.958 -10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.374 3.393 -10.542 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.391 4.770 -12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.651 4.976 -12.450 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.841 2.299 -12.906 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.512 5.076 -14.309 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.738 4.293 -15.877 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.133 1.303 -14.923 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.961 2.166 -16.223 1.00 0.00 H new ATOM 313 N ARG A 23 -4.509 5.644 -6.501 1.00 0.00 N ATOM 314 CA ARG A 23 -4.037 6.677 -5.587 1.00 0.00 C ATOM 315 C ARG A 23 -2.597 6.407 -5.161 1.00 0.00 C ATOM 316 O ARG A 23 -2.292 5.361 -4.591 1.00 0.00 O ATOM 317 CB ARG A 23 -4.940 6.747 -4.353 1.00 0.00 C ATOM 318 CG ARG A 23 -5.040 8.140 -3.750 1.00 0.00 C ATOM 319 CD ARG A 23 -3.734 8.556 -3.092 1.00 0.00 C ATOM 320 NE ARG A 23 -2.850 9.253 -4.022 1.00 0.00 N ATOM 321 CZ ARG A 23 -3.155 10.410 -4.599 1.00 0.00 C ATOM 322 NH1 ARG A 23 -4.317 10.996 -4.343 1.00 0.00 N ATOM 323 NH2 ARG A 23 -2.298 10.983 -5.434 1.00 0.00 N ATOM 0 H ARG A 23 -4.305 4.690 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.071 7.633 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.939 6.405 -4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.562 6.059 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.301 8.857 -4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.843 8.162 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.947 9.203 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.227 7.673 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.949 8.828 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.979 10.558 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.549 11.884 -4.787 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.404 10.535 -5.634 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.534 11.871 -5.876 1.00 0.00 H new ATOM 337 N GLY A 24 -1.713 7.362 -5.442 1.00 0.00 N ATOM 338 CA GLY A 24 -0.316 7.209 -5.083 1.00 0.00 C ATOM 339 C GLY A 24 0.044 7.965 -3.820 1.00 0.00 C ATOM 340 O GLY A 24 -0.224 9.162 -3.706 1.00 0.00 O ATOM 0 H GLY A 24 -1.941 8.238 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.093 6.151 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.308 7.562 -5.904 1.00 0.00 H new ATOM 344 N VAL A 25 0.652 7.268 -2.865 1.00 0.00 N ATOM 345 CA VAL A 25 1.048 7.882 -1.604 1.00 0.00 C ATOM 346 C VAL A 25 2.526 7.640 -1.317 1.00 0.00 C ATOM 347 O VAL A 25 3.057 6.568 -1.600 1.00 0.00 O ATOM 348 CB VAL A 25 0.213 7.340 -0.429 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.310 8.271 0.770 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.236 7.149 -0.849 1.00 0.00 C ATOM 0 H VAL A 25 0.881 6.277 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 25 0.870 8.953 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 25 0.615 6.369 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.286 7.871 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.351 8.352 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.064 9.257 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.811 6.765 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.652 8.105 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.285 6.439 -1.675 1.00 0.00 H new ATOM 360 N MET A 26 3.185 8.647 -0.750 1.00 0.00 N ATOM 361 CA MET A 26 4.602 8.542 -0.422 1.00 0.00 C ATOM 362 C MET A 26 4.797 8.279 1.068 1.00 0.00 C ATOM 363 O MET A 26 4.459 9.115 1.904 1.00 0.00 O ATOM 364 CB MET A 26 5.336 9.822 -0.826 1.00 0.00 C ATOM 365 CG MET A 26 5.743 9.854 -2.290 1.00 0.00 C ATOM 366 SD MET A 26 7.244 10.812 -2.574 1.00 0.00 S ATOM 367 CE MET A 26 8.427 9.504 -2.883 1.00 0.00 C ATOM 0 H MET A 26 2.761 9.543 -0.509 1.00 0.00 H new ATOM 0 HA MET A 26 5.017 7.702 -0.978 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.696 10.679 -0.617 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.227 9.931 -0.207 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.896 8.834 -2.643 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.930 10.277 -2.880 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.435 9.872 -2.691 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.217 8.661 -2.225 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.350 9.182 -3.921 1.00 0.00 H new ATOM 377 N ALA A 27 5.346 7.112 1.390 1.00 0.00 N ATOM 378 CA ALA A 27 5.587 6.740 2.779 1.00 0.00 C ATOM 379 C ALA A 27 6.943 6.060 2.937 1.00 0.00 C ATOM 380 O ALA A 27 7.335 5.236 2.111 1.00 0.00 O ATOM 381 CB ALA A 27 4.476 5.830 3.282 1.00 0.00 C ATOM 0 H ALA A 27 5.632 6.409 0.709 1.00 0.00 H new ATOM 0 HA ALA A 27 5.594 7.651 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.669 5.560 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.521 6.350 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.442 4.927 2.673 1.00 0.00 H new ATOM 387 N SER A 28 7.656 6.413 4.002 1.00 0.00 N ATOM 388 CA SER A 28 8.970 5.840 4.266 1.00 0.00 C ATOM 389 C SER A 28 8.844 4.459 4.901 1.00 0.00 C ATOM 390 O SER A 28 9.792 3.674 4.902 1.00 0.00 O ATOM 391 CB SER A 28 9.778 6.762 5.182 1.00 0.00 C ATOM 392 OG SER A 28 10.701 6.023 5.964 1.00 0.00 O ATOM 0 H SER A 28 7.345 7.093 4.696 1.00 0.00 H new ATOM 0 HA SER A 28 9.491 5.737 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.313 7.498 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.102 7.313 5.836 1.00 0.00 H new ATOM 0 HG SER A 28 11.206 6.635 6.539 1.00 0.00 H new ATOM 398 N SER A 29 7.665 4.168 5.440 1.00 0.00 N ATOM 399 CA SER A 29 7.413 2.883 6.082 1.00 0.00 C ATOM 400 C SER A 29 6.004 2.388 5.772 1.00 0.00 C ATOM 401 O SER A 29 5.216 3.083 5.129 1.00 0.00 O ATOM 402 CB SER A 29 7.604 2.999 7.595 1.00 0.00 C ATOM 403 OG SER A 29 8.631 3.923 7.911 1.00 0.00 O ATOM 0 H SER A 29 6.868 4.805 5.445 1.00 0.00 H new ATOM 0 HA SER A 29 8.128 2.161 5.687 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.670 3.316 8.059 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.850 2.021 8.009 1.00 0.00 H new ATOM 0 HG SER A 29 8.732 3.980 8.884 1.00 0.00 H new ATOM 409 N LEU A 30 5.692 1.182 6.235 1.00 0.00 N ATOM 410 CA LEU A 30 4.377 0.591 6.008 1.00 0.00 C ATOM 411 C LEU A 30 3.311 1.305 6.832 1.00 0.00 C ATOM 412 O LEU A 30 2.280 1.720 6.304 1.00 0.00 O ATOM 413 CB LEU A 30 4.398 -0.897 6.358 1.00 0.00 C ATOM 414 CG LEU A 30 3.043 -1.606 6.356 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.519 -1.751 4.935 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.153 -2.968 7.026 1.00 0.00 C ATOM 0 H LEU A 30 6.332 0.594 6.770 1.00 0.00 H new ATOM 0 HA LEU A 30 4.131 0.705 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.053 -1.407 5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.844 -1.011 7.346 1.00 0.00 H new ATOM 0 HG LEU A 30 2.336 -1.000 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.554 -2.258 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.402 -0.764 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.225 -2.336 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.180 -3.458 7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.874 -3.582 6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.484 -2.841 8.057 1.00 0.00 H new ATOM 428 N GLN A 31 3.568 1.445 8.130 1.00 0.00 N ATOM 429 CA GLN A 31 2.630 2.110 9.025 1.00 0.00 C ATOM 430 C GLN A 31 2.197 3.458 8.459 1.00 0.00 C ATOM 431 O GLN A 31 1.006 3.717 8.291 1.00 0.00 O ATOM 432 CB GLN A 31 3.261 2.303 10.406 1.00 0.00 C ATOM 433 CG GLN A 31 2.293 2.844 11.446 1.00 0.00 C ATOM 434 CD GLN A 31 1.426 1.762 12.056 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.893 0.956 12.862 1.00 0.00 O ATOM 436 NE2 GLN A 31 0.153 1.738 11.675 1.00 0.00 N ATOM 0 H GLN A 31 4.417 1.107 8.583 1.00 0.00 H new ATOM 0 HA GLN A 31 1.748 1.477 9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.657 1.348 10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.106 2.986 10.318 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.856 3.342 12.236 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.655 3.598 10.985 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.192 2.425 11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.479 1.032 12.053 1.00 0.00 H new ATOM 445 N GLU A 32 3.173 4.312 8.167 1.00 0.00 N ATOM 446 CA GLU A 32 2.891 5.635 7.620 1.00 0.00 C ATOM 447 C GLU A 32 1.950 5.539 6.423 1.00 0.00 C ATOM 448 O GLU A 32 0.924 6.218 6.369 1.00 0.00 O ATOM 449 CB GLU A 32 4.192 6.327 7.206 1.00 0.00 C ATOM 450 CG GLU A 32 3.986 7.725 6.648 1.00 0.00 C ATOM 451 CD GLU A 32 5.161 8.643 6.925 1.00 0.00 C ATOM 452 OE1 GLU A 32 6.307 8.147 6.948 1.00 0.00 O ATOM 453 OE2 GLU A 32 4.936 9.855 7.119 1.00 0.00 O ATOM 0 H GLU A 32 4.164 4.112 8.300 1.00 0.00 H new ATOM 0 HA GLU A 32 2.404 6.226 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.855 6.384 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.696 5.716 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.825 7.662 5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.083 8.156 7.081 1.00 0.00 H new ATOM 460 N LEU A 33 2.307 4.692 5.463 1.00 0.00 N ATOM 461 CA LEU A 33 1.495 4.506 4.265 1.00 0.00 C ATOM 462 C LEU A 33 0.078 4.076 4.629 1.00 0.00 C ATOM 463 O LEU A 33 -0.873 4.844 4.475 1.00 0.00 O ATOM 464 CB LEU A 33 2.137 3.465 3.347 1.00 0.00 C ATOM 465 CG LEU A 33 1.324 3.065 2.115 1.00 0.00 C ATOM 466 CD1 LEU A 33 0.295 2.005 2.475 1.00 0.00 C ATOM 467 CD2 LEU A 33 0.647 4.283 1.504 1.00 0.00 C ATOM 0 H LEU A 33 3.153 4.123 5.491 1.00 0.00 H new ATOM 0 HA LEU A 33 1.441 5.460 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.101 3.849 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.338 2.568 3.932 1.00 0.00 H new ATOM 0 HG LEU A 33 2.005 2.644 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.274 1.733 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.803 1.123 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.383 2.398 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.073 3.979 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.021 4.734 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.404 5.009 1.208 1.00 0.00 H new ATOM 479 N ILE A 34 -0.056 2.846 5.114 1.00 0.00 N ATOM 480 CA ILE A 34 -1.356 2.315 5.503 1.00 0.00 C ATOM 481 C ILE A 34 -2.252 3.413 6.064 1.00 0.00 C ATOM 482 O ILE A 34 -3.321 3.696 5.520 1.00 0.00 O ATOM 483 CB ILE A 34 -1.217 1.196 6.552 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.657 -0.073 5.904 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.560 0.914 7.207 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.198 -1.109 6.905 1.00 0.00 C ATOM 0 H ILE A 34 0.721 2.198 5.247 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.810 1.902 4.602 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.521 1.526 7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.422 -0.512 5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.181 0.196 5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.445 0.121 7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.922 1.817 7.698 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.277 0.601 6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.187 -1.981 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.589 -0.687 7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.039 -1.407 7.532 1.00 0.00 H new ATOM 498 N SER A 35 -1.810 4.031 7.153 1.00 0.00 N ATOM 499 CA SER A 35 -2.573 5.099 7.791 1.00 0.00 C ATOM 500 C SER A 35 -2.938 6.182 6.781 1.00 0.00 C ATOM 501 O SER A 35 -4.061 6.688 6.773 1.00 0.00 O ATOM 502 CB SER A 35 -1.773 5.709 8.943 1.00 0.00 C ATOM 503 OG SER A 35 -2.573 6.595 9.706 1.00 0.00 O ATOM 0 H SER A 35 -0.927 3.811 7.613 1.00 0.00 H new ATOM 0 HA SER A 35 -3.493 4.669 8.186 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.390 4.915 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.909 6.243 8.547 1.00 0.00 H new ATOM 0 HG SER A 35 -2.039 6.971 10.437 1.00 0.00 H new ATOM 509 N LYS A 36 -1.982 6.535 5.929 1.00 0.00 N ATOM 510 CA LYS A 36 -2.200 7.558 4.912 1.00 0.00 C ATOM 511 C LYS A 36 -3.272 7.119 3.920 1.00 0.00 C ATOM 512 O LYS A 36 -4.266 7.815 3.715 1.00 0.00 O ATOM 513 CB LYS A 36 -0.895 7.856 4.171 1.00 0.00 C ATOM 514 CG LYS A 36 0.097 8.666 4.988 1.00 0.00 C ATOM 515 CD LYS A 36 1.480 8.654 4.357 1.00 0.00 C ATOM 516 CE LYS A 36 1.660 9.812 3.388 1.00 0.00 C ATOM 517 NZ LYS A 36 1.453 11.129 4.052 1.00 0.00 N ATOM 0 H LYS A 36 -1.047 6.127 5.922 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.542 8.465 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.430 6.915 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.124 8.397 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.255 9.694 5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.154 8.262 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.238 8.711 5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.633 7.711 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.662 9.775 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.956 9.707 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.063 11.843 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.458 11.414 3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.694 11.051 5.061 1.00 0.00 H new ATOM 531 N THR A 37 -3.064 5.958 3.306 1.00 0.00 N ATOM 532 CA THR A 37 -4.012 5.425 2.337 1.00 0.00 C ATOM 533 C THR A 37 -5.448 5.712 2.758 1.00 0.00 C ATOM 534 O THR A 37 -6.258 6.187 1.959 1.00 0.00 O ATOM 535 CB THR A 37 -3.836 3.906 2.154 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.512 3.617 1.692 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.855 3.357 1.166 1.00 0.00 C ATOM 0 H THR A 37 -2.246 5.369 3.463 1.00 0.00 H new ATOM 0 HA THR A 37 -3.808 5.923 1.389 1.00 0.00 H new ATOM 0 HB THR A 37 -3.995 3.426 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.409 2.649 1.580 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.710 2.282 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.862 3.551 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.724 3.844 0.200 1.00 0.00 H new ATOM 545 N LEU A 38 -5.761 5.421 4.016 1.00 0.00 N ATOM 546 CA LEU A 38 -7.102 5.649 4.544 1.00 0.00 C ATOM 547 C LEU A 38 -7.595 7.049 4.191 1.00 0.00 C ATOM 548 O LEU A 38 -8.717 7.221 3.716 1.00 0.00 O ATOM 549 CB LEU A 38 -7.112 5.459 6.061 1.00 0.00 C ATOM 550 CG LEU A 38 -7.246 4.019 6.557 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.553 3.849 7.899 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.713 3.623 6.658 1.00 0.00 C ATOM 0 H LEU A 38 -5.104 5.027 4.690 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.775 4.922 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.190 5.877 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.935 6.042 6.475 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.761 3.361 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.659 2.818 8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.495 4.089 7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.007 4.518 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.789 2.595 7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.222 4.287 7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.180 3.704 5.676 1.00 0.00 H new ATOM 564 N ASP A 39 -6.749 8.045 4.426 1.00 0.00 N ATOM 565 CA ASP A 39 -7.097 9.430 4.131 1.00 0.00 C ATOM 566 C ASP A 39 -7.155 9.667 2.625 1.00 0.00 C ATOM 567 O ASP A 39 -7.970 10.452 2.141 1.00 0.00 O ATOM 568 CB ASP A 39 -6.083 10.381 4.770 1.00 0.00 C ATOM 569 CG ASP A 39 -6.658 11.763 5.011 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.727 11.859 5.650 1.00 0.00 O ATOM 571 OD2 ASP A 39 -6.039 12.749 4.559 1.00 0.00 O ATOM 0 H ASP A 39 -5.817 7.919 4.820 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.083 9.628 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.743 9.962 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.208 10.462 4.125 1.00 0.00 H new ATOM 576 N ALA A 40 -6.285 8.981 1.889 1.00 0.00 N ATOM 577 CA ALA A 40 -6.239 9.116 0.439 1.00 0.00 C ATOM 578 C ALA A 40 -7.564 8.704 -0.194 1.00 0.00 C ATOM 579 O ALA A 40 -8.100 9.409 -1.050 1.00 0.00 O ATOM 580 CB ALA A 40 -5.098 8.287 -0.132 1.00 0.00 C ATOM 0 H ALA A 40 -5.603 8.327 2.274 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.065 10.166 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.075 8.397 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.153 8.631 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.247 7.238 0.123 1.00 0.00 H new ATOM 586 N LEU A 41 -8.086 7.559 0.232 1.00 0.00 N ATOM 587 CA LEU A 41 -9.349 7.053 -0.293 1.00 0.00 C ATOM 588 C LEU A 41 -10.519 7.493 0.581 1.00 0.00 C ATOM 589 O LEU A 41 -11.654 7.062 0.381 1.00 0.00 O ATOM 590 CB LEU A 41 -9.311 5.527 -0.383 1.00 0.00 C ATOM 591 CG LEU A 41 -8.461 4.942 -1.512 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.979 3.545 -1.149 1.00 0.00 C ATOM 593 CD2 LEU A 41 -9.249 4.915 -2.813 1.00 0.00 C ATOM 0 H LEU A 41 -7.654 6.964 0.939 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.490 7.467 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.939 5.136 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.332 5.164 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.588 5.580 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.376 3.145 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.377 3.592 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.838 2.896 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.629 4.496 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.140 4.300 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.543 5.930 -3.081 1.00 0.00 H new ATOM 605 N VAL A 42 -10.233 8.356 1.552 1.00 0.00 N ATOM 606 CA VAL A 42 -11.262 8.857 2.456 1.00 0.00 C ATOM 607 C VAL A 42 -12.229 7.749 2.857 1.00 0.00 C ATOM 608 O VAL A 42 -13.442 7.957 2.904 1.00 0.00 O ATOM 609 CB VAL A 42 -12.057 10.011 1.816 1.00 0.00 C ATOM 610 CG1 VAL A 42 -11.157 11.213 1.579 1.00 0.00 C ATOM 611 CG2 VAL A 42 -12.705 9.555 0.517 1.00 0.00 C ATOM 0 H VAL A 42 -9.298 8.722 1.732 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.750 9.227 3.344 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.847 10.310 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.736 12.018 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.745 11.552 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.343 10.932 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.263 10.383 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.933 9.228 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.384 8.727 0.720 1.00 0.00 H new ATOM 621 N ILE A 43 -11.684 6.573 3.147 1.00 0.00 N ATOM 622 CA ILE A 43 -12.499 5.431 3.547 1.00 0.00 C ATOM 623 C ILE A 43 -13.392 5.782 4.732 1.00 0.00 C ATOM 624 O ILE A 43 -12.955 6.435 5.680 1.00 0.00 O ATOM 625 CB ILE A 43 -11.625 4.219 3.917 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.748 3.813 2.732 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.498 3.054 4.362 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.825 2.652 3.032 1.00 0.00 C ATOM 0 H ILE A 43 -10.682 6.385 3.113 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.122 5.171 2.691 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.974 4.498 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.388 3.549 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.151 4.671 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.866 2.204 4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.083 3.350 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.171 2.773 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.234 2.419 2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.160 2.919 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.416 1.780 3.313 1.00 0.00 H new ATOM 640 N ALA A 44 -14.644 5.343 4.673 1.00 0.00 N ATOM 641 CA ALA A 44 -15.598 5.606 5.743 1.00 0.00 C ATOM 642 C ALA A 44 -15.078 5.094 7.081 1.00 0.00 C ATOM 643 O ALA A 44 -15.011 5.837 8.060 1.00 0.00 O ATOM 644 CB ALA A 44 -16.943 4.973 5.419 1.00 0.00 C ATOM 0 H ALA A 44 -15.022 4.803 3.895 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.727 6.685 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.645 5.178 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.328 5.392 4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.821 3.896 5.309 1.00 0.00 H new ATOM 650 N THR A 45 -14.711 3.816 7.118 1.00 0.00 N ATOM 651 CA THR A 45 -14.198 3.203 8.336 1.00 0.00 C ATOM 652 C THR A 45 -12.677 3.105 8.305 1.00 0.00 C ATOM 653 O THR A 45 -12.054 3.298 7.261 1.00 0.00 O ATOM 654 CB THR A 45 -14.786 1.796 8.548 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.306 1.243 9.779 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.416 0.876 7.394 1.00 0.00 C ATOM 0 H THR A 45 -14.760 3.186 6.317 1.00 0.00 H new ATOM 0 HA THR A 45 -14.502 3.845 9.163 1.00 0.00 H new ATOM 0 HB THR A 45 -15.872 1.883 8.590 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.686 0.349 9.906 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.842 -0.112 7.566 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.809 1.284 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.331 0.796 7.326 1.00 0.00 H new ATOM 664 N GLY A 46 -12.083 2.806 9.456 1.00 0.00 N ATOM 665 CA GLY A 46 -10.638 2.688 9.538 1.00 0.00 C ATOM 666 C GLY A 46 -10.163 1.260 9.355 1.00 0.00 C ATOM 667 O GLY A 46 -9.251 0.997 8.570 1.00 0.00 O ATOM 0 H GLY A 46 -12.576 2.643 10.334 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.181 3.320 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.300 3.059 10.506 1.00 0.00 H new ATOM 671 N LEU A 47 -10.778 0.336 10.083 1.00 0.00 N ATOM 672 CA LEU A 47 -10.412 -1.074 10.000 1.00 0.00 C ATOM 673 C LEU A 47 -10.264 -1.513 8.547 1.00 0.00 C ATOM 674 O LEU A 47 -11.248 -1.840 7.882 1.00 0.00 O ATOM 675 CB LEU A 47 -11.462 -1.937 10.701 1.00 0.00 C ATOM 676 CG LEU A 47 -11.045 -3.374 11.019 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.544 -4.075 9.767 1.00 0.00 C ATOM 678 CD2 LEU A 47 -9.980 -3.391 12.106 1.00 0.00 C ATOM 0 H LEU A 47 -11.533 0.537 10.738 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.452 -1.204 10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.743 -1.447 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.354 -1.969 10.076 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.919 -3.913 11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.252 -5.096 10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.337 -4.095 9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.683 -3.538 9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.695 -4.421 12.320 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.106 -2.835 11.767 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.376 -2.929 13.010 1.00 0.00 H new ATOM 690 N VAL A 48 -9.027 -1.520 8.058 1.00 0.00 N ATOM 691 CA VAL A 48 -8.750 -1.922 6.684 1.00 0.00 C ATOM 692 C VAL A 48 -7.543 -2.852 6.618 1.00 0.00 C ATOM 693 O VAL A 48 -6.707 -2.869 7.522 1.00 0.00 O ATOM 694 CB VAL A 48 -8.492 -0.700 5.783 1.00 0.00 C ATOM 695 CG1 VAL A 48 -9.731 0.180 5.710 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.296 0.092 6.288 1.00 0.00 C ATOM 0 H VAL A 48 -8.201 -1.252 8.593 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.633 -2.450 6.323 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.266 -1.054 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.530 1.039 5.069 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.561 -0.394 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.990 0.527 6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.129 0.952 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.490 0.436 7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.411 -0.544 6.284 1.00 0.00 H new ATOM 706 N THR A 49 -7.459 -3.625 5.539 1.00 0.00 N ATOM 707 CA THR A 49 -6.355 -4.559 5.354 1.00 0.00 C ATOM 708 C THR A 49 -5.589 -4.256 4.072 1.00 0.00 C ATOM 709 O THR A 49 -6.146 -4.313 2.975 1.00 0.00 O ATOM 710 CB THR A 49 -6.855 -6.016 5.309 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.509 -6.349 6.538 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.699 -6.976 5.068 1.00 0.00 C ATOM 0 H THR A 49 -8.142 -3.623 4.781 1.00 0.00 H new ATOM 0 HA THR A 49 -5.690 -4.437 6.209 1.00 0.00 H new ATOM 0 HB THR A 49 -7.563 -6.109 4.485 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.825 -7.276 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.075 -7.999 5.040 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.221 -6.739 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.971 -6.879 5.874 1.00 0.00 H new ATOM 720 N LEU A 50 -4.309 -3.935 4.216 1.00 0.00 N ATOM 721 CA LEU A 50 -3.463 -3.624 3.068 1.00 0.00 C ATOM 722 C LEU A 50 -2.781 -4.880 2.537 1.00 0.00 C ATOM 723 O LEU A 50 -2.182 -5.642 3.296 1.00 0.00 O ATOM 724 CB LEU A 50 -2.411 -2.582 3.452 1.00 0.00 C ATOM 725 CG LEU A 50 -1.726 -1.861 2.291 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.741 -1.074 1.477 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.627 -0.943 2.807 1.00 0.00 C ATOM 0 H LEU A 50 -3.833 -3.883 5.117 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.098 -3.218 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.884 -1.835 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.644 -3.073 4.052 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.272 -2.610 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.235 -0.568 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.492 -1.754 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.225 -0.335 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.150 -0.438 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.058 -0.201 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.116 -1.532 3.345 1.00 0.00 H new ATOM 739 N VAL A 51 -2.875 -5.090 1.228 1.00 0.00 N ATOM 740 CA VAL A 51 -2.265 -6.253 0.593 1.00 0.00 C ATOM 741 C VAL A 51 -1.651 -5.885 -0.753 1.00 0.00 C ATOM 742 O VAL A 51 -1.770 -4.748 -1.212 1.00 0.00 O ATOM 743 CB VAL A 51 -3.291 -7.382 0.387 1.00 0.00 C ATOM 744 CG1 VAL A 51 -3.914 -7.788 1.714 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.362 -6.954 -0.606 1.00 0.00 C ATOM 0 H VAL A 51 -3.368 -4.470 0.586 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.480 -6.604 1.262 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.773 -8.249 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.636 -8.587 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.134 -8.139 2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.419 -6.929 2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.079 -7.764 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.878 -6.072 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.897 -6.719 -1.564 1.00 0.00 H new ATOM 755 N LEU A 52 -0.996 -6.854 -1.382 1.00 0.00 N ATOM 756 CA LEU A 52 -0.363 -6.634 -2.678 1.00 0.00 C ATOM 757 C LEU A 52 -1.373 -6.787 -3.810 1.00 0.00 C ATOM 758 O LEU A 52 -2.180 -7.715 -3.813 1.00 0.00 O ATOM 759 CB LEU A 52 0.794 -7.615 -2.875 1.00 0.00 C ATOM 760 CG LEU A 52 1.876 -7.604 -1.794 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.960 -8.621 -2.114 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.473 -6.212 -1.650 1.00 0.00 C ATOM 0 H LEU A 52 -0.889 -7.800 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 52 0.025 -5.616 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.383 -8.622 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.265 -7.402 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 52 1.417 -7.880 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.721 -8.599 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.521 -9.617 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.416 -8.377 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.241 -6.224 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.917 -5.907 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.689 -5.507 -1.373 1.00 0.00 H new ATOM 774 N GLU A 53 -1.321 -5.870 -4.771 1.00 0.00 N ATOM 775 CA GLU A 53 -2.230 -5.903 -5.910 1.00 0.00 C ATOM 776 C GLU A 53 -1.773 -6.931 -6.942 1.00 0.00 C ATOM 777 O GLU A 53 -2.285 -6.973 -8.059 1.00 0.00 O ATOM 778 CB GLU A 53 -2.324 -4.521 -6.558 1.00 0.00 C ATOM 779 CG GLU A 53 -3.642 -4.271 -7.273 1.00 0.00 C ATOM 780 CD GLU A 53 -3.593 -3.055 -8.177 1.00 0.00 C ATOM 781 OE1 GLU A 53 -3.021 -2.028 -7.759 1.00 0.00 O ATOM 782 OE2 GLU A 53 -4.130 -3.131 -9.303 1.00 0.00 O ATOM 0 H GLU A 53 -0.658 -5.095 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.216 -6.192 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.187 -3.759 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.507 -4.407 -7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.902 -5.149 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.432 -4.138 -6.534 1.00 0.00 H new ATOM 789 N GLU A 54 -0.805 -7.757 -6.555 1.00 0.00 N ATOM 790 CA GLU A 54 -0.278 -8.784 -7.448 1.00 0.00 C ATOM 791 C GLU A 54 -0.848 -10.155 -7.097 1.00 0.00 C ATOM 792 O GLU A 54 -1.365 -10.863 -7.962 1.00 0.00 O ATOM 793 CB GLU A 54 1.250 -8.821 -7.371 1.00 0.00 C ATOM 794 CG GLU A 54 1.781 -9.410 -6.076 1.00 0.00 C ATOM 795 CD GLU A 54 3.279 -9.235 -5.926 1.00 0.00 C ATOM 796 OE1 GLU A 54 3.801 -8.192 -6.374 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.929 -10.139 -5.361 1.00 0.00 O ATOM 0 H GLU A 54 -0.371 -7.736 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.579 -8.534 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.633 -9.403 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.635 -7.808 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.278 -8.937 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.538 -10.472 -6.038 1.00 0.00 H new ATOM 804 N ASP A 55 -0.751 -10.522 -5.824 1.00 0.00 N ATOM 805 CA ASP A 55 -1.258 -11.807 -5.358 1.00 0.00 C ATOM 806 C ASP A 55 -2.210 -11.621 -4.181 1.00 0.00 C ATOM 807 O ASP A 55 -2.895 -12.557 -3.770 1.00 0.00 O ATOM 808 CB ASP A 55 -0.099 -12.719 -4.954 1.00 0.00 C ATOM 809 CG ASP A 55 0.432 -13.532 -6.119 1.00 0.00 C ATOM 810 OD1 ASP A 55 0.283 -13.081 -7.273 1.00 0.00 O ATOM 811 OD2 ASP A 55 0.998 -14.618 -5.875 1.00 0.00 O ATOM 0 H ASP A 55 -0.326 -9.948 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.808 -12.272 -6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.708 -12.114 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.430 -13.394 -4.165 1.00 0.00 H new ATOM 816 N GLY A 56 -2.247 -10.406 -3.642 1.00 0.00 N ATOM 817 CA GLY A 56 -3.117 -10.121 -2.516 1.00 0.00 C ATOM 818 C GLY A 56 -2.525 -10.573 -1.196 1.00 0.00 C ATOM 819 O GLY A 56 -3.239 -11.071 -0.325 1.00 0.00 O ATOM 0 H GLY A 56 -1.690 -9.615 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.313 -9.050 -2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.077 -10.615 -2.668 1.00 0.00 H new ATOM 823 N THR A 57 -1.215 -10.401 -1.046 1.00 0.00 N ATOM 824 CA THR A 57 -0.527 -10.798 0.176 1.00 0.00 C ATOM 825 C THR A 57 -0.662 -9.729 1.254 1.00 0.00 C ATOM 826 O THR A 57 -0.289 -8.573 1.049 1.00 0.00 O ATOM 827 CB THR A 57 0.967 -11.064 -0.083 1.00 0.00 C ATOM 828 OG1 THR A 57 1.119 -12.042 -1.117 1.00 0.00 O ATOM 829 CG2 THR A 57 1.658 -11.547 1.184 1.00 0.00 C ATOM 0 H THR A 57 -0.609 -9.989 -1.756 1.00 0.00 H new ATOM 0 HA THR A 57 -0.998 -11.719 0.520 1.00 0.00 H new ATOM 0 HB THR A 57 1.430 -10.129 -0.397 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.072 -12.204 -1.277 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.713 -11.728 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.566 -10.788 1.961 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.191 -12.471 1.523 1.00 0.00 H new ATOM 837 N VAL A 58 -1.197 -10.122 2.406 1.00 0.00 N ATOM 838 CA VAL A 58 -1.379 -9.198 3.519 1.00 0.00 C ATOM 839 C VAL A 58 -0.043 -8.637 3.992 1.00 0.00 C ATOM 840 O VAL A 58 0.791 -9.363 4.534 1.00 0.00 O ATOM 841 CB VAL A 58 -2.086 -9.880 4.705 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.130 -8.949 5.908 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.488 -10.318 4.309 1.00 0.00 C ATOM 0 H VAL A 58 -1.512 -11.074 2.593 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.003 -8.382 3.154 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.517 -10.767 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.633 -9.448 6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.114 -8.689 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.675 -8.042 5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.973 -10.798 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.069 -9.447 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.428 -11.023 3.480 1.00 0.00 H new ATOM 853 N VAL A 59 0.155 -7.339 3.785 1.00 0.00 N ATOM 854 CA VAL A 59 1.390 -6.679 4.192 1.00 0.00 C ATOM 855 C VAL A 59 1.225 -5.988 5.541 1.00 0.00 C ATOM 856 O VAL A 59 0.863 -4.814 5.609 1.00 0.00 O ATOM 857 CB VAL A 59 1.843 -5.641 3.147 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.219 -5.096 3.498 1.00 0.00 C ATOM 859 CG2 VAL A 59 1.840 -6.252 1.755 1.00 0.00 C ATOM 0 H VAL A 59 -0.524 -6.723 3.338 1.00 0.00 H new ATOM 0 HA VAL A 59 2.151 -7.455 4.275 1.00 0.00 H new ATOM 0 HB VAL A 59 1.138 -4.810 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.523 -4.364 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.182 -4.619 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.940 -5.914 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.162 -5.505 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.522 -7.102 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.833 -6.588 1.507 1.00 0.00 H new ATOM 869 N ASP A 60 1.494 -6.725 6.613 1.00 0.00 N ATOM 870 CA ASP A 60 1.378 -6.183 7.962 1.00 0.00 C ATOM 871 C ASP A 60 2.725 -6.206 8.676 1.00 0.00 C ATOM 872 O ASP A 60 2.791 -6.156 9.905 1.00 0.00 O ATOM 873 CB ASP A 60 0.347 -6.978 8.766 1.00 0.00 C ATOM 874 CG ASP A 60 -0.306 -6.146 9.853 1.00 0.00 C ATOM 875 OD1 ASP A 60 0.421 -5.658 10.744 1.00 0.00 O ATOM 876 OD2 ASP A 60 -1.543 -5.981 9.811 1.00 0.00 O ATOM 0 H ASP A 60 1.794 -7.699 6.574 1.00 0.00 H new ATOM 0 HA ASP A 60 1.047 -5.147 7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.421 -7.357 8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.831 -7.844 9.217 1.00 0.00 H new ATOM 881 N THR A 61 3.800 -6.285 7.897 1.00 0.00 N ATOM 882 CA THR A 61 5.146 -6.317 8.454 1.00 0.00 C ATOM 883 C THR A 61 6.012 -5.209 7.865 1.00 0.00 C ATOM 884 O THR A 61 5.939 -4.920 6.671 1.00 0.00 O ATOM 885 CB THR A 61 5.827 -7.674 8.198 1.00 0.00 C ATOM 886 OG1 THR A 61 5.466 -8.168 6.904 1.00 0.00 O ATOM 887 CG2 THR A 61 5.431 -8.688 9.262 1.00 0.00 C ATOM 0 H THR A 61 3.764 -6.328 6.879 1.00 0.00 H new ATOM 0 HA THR A 61 5.047 -6.165 9.529 1.00 0.00 H new ATOM 0 HB THR A 61 6.906 -7.527 8.242 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.905 -9.030 6.749 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.924 -9.639 9.060 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.734 -8.323 10.243 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.350 -8.829 9.246 1.00 0.00 H new ATOM 895 N GLU A 62 6.830 -4.590 8.712 1.00 0.00 N ATOM 896 CA GLU A 62 7.709 -3.513 8.273 1.00 0.00 C ATOM 897 C GLU A 62 8.915 -4.067 7.519 1.00 0.00 C ATOM 898 O GLU A 62 9.351 -3.497 6.520 1.00 0.00 O ATOM 899 CB GLU A 62 8.180 -2.689 9.473 1.00 0.00 C ATOM 900 CG GLU A 62 9.339 -1.760 9.156 1.00 0.00 C ATOM 901 CD GLU A 62 10.689 -2.413 9.384 1.00 0.00 C ATOM 902 OE1 GLU A 62 11.097 -3.239 8.541 1.00 0.00 O ATOM 903 OE2 GLU A 62 11.336 -2.098 10.405 1.00 0.00 O ATOM 0 H GLU A 62 6.902 -4.816 9.704 1.00 0.00 H new ATOM 0 HA GLU A 62 7.144 -2.870 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.344 -2.098 9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.477 -3.366 10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.267 -1.436 8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.263 -0.866 9.775 1.00 0.00 H new ATOM 910 N GLU A 63 9.449 -5.183 8.006 1.00 0.00 N ATOM 911 CA GLU A 63 10.604 -5.813 7.380 1.00 0.00 C ATOM 912 C GLU A 63 10.313 -6.157 5.921 1.00 0.00 C ATOM 913 O GLU A 63 11.196 -6.084 5.066 1.00 0.00 O ATOM 914 CB GLU A 63 11.000 -7.078 8.144 1.00 0.00 C ATOM 915 CG GLU A 63 9.966 -8.189 8.060 1.00 0.00 C ATOM 916 CD GLU A 63 10.062 -9.164 9.216 1.00 0.00 C ATOM 917 OE1 GLU A 63 10.055 -8.710 10.380 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.146 -10.383 8.958 1.00 0.00 O ATOM 0 H GLU A 63 9.100 -5.669 8.832 1.00 0.00 H new ATOM 0 HA GLU A 63 11.432 -5.105 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.949 -7.446 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.163 -6.824 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.968 -7.751 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.094 -8.729 7.122 1.00 0.00 H new ATOM 925 N PHE A 64 9.068 -6.531 5.646 1.00 0.00 N ATOM 926 CA PHE A 64 8.660 -6.887 4.292 1.00 0.00 C ATOM 927 C PHE A 64 8.384 -5.638 3.460 1.00 0.00 C ATOM 928 O PHE A 64 8.581 -5.632 2.245 1.00 0.00 O ATOM 929 CB PHE A 64 7.412 -7.773 4.330 1.00 0.00 C ATOM 930 CG PHE A 64 6.940 -8.200 2.970 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.846 -8.591 1.998 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.588 -8.213 2.663 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.414 -8.985 0.745 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.150 -8.606 1.413 1.00 0.00 C ATOM 935 CZ PHE A 64 6.064 -8.992 0.453 1.00 0.00 C ATOM 0 H PHE A 64 8.325 -6.595 6.342 1.00 0.00 H new ATOM 0 HA PHE A 64 9.477 -7.439 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.623 -8.660 4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.609 -7.234 4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.903 -8.588 2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.868 -7.912 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.131 -9.287 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.094 -8.611 1.187 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.724 -9.299 -0.525 1.00 0.00 H new ATOM 945 N PHE A 65 7.929 -4.580 4.124 1.00 0.00 N ATOM 946 CA PHE A 65 7.626 -3.326 3.447 1.00 0.00 C ATOM 947 C PHE A 65 8.907 -2.597 3.052 1.00 0.00 C ATOM 948 O PHE A 65 8.971 -1.961 2.001 1.00 0.00 O ATOM 949 CB PHE A 65 6.773 -2.429 4.347 1.00 0.00 C ATOM 950 CG PHE A 65 6.721 -0.998 3.893 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.837 -0.184 3.998 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.557 -0.469 3.360 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.791 1.133 3.581 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.505 0.847 2.941 1.00 0.00 C ATOM 955 CZ PHE A 65 6.624 1.649 3.051 1.00 0.00 C ATOM 0 H PHE A 65 7.762 -4.567 5.130 1.00 0.00 H new ATOM 0 HA PHE A 65 7.067 -3.558 2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.759 -2.826 4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.169 -2.465 5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.752 -0.583 4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.680 -1.092 3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.667 1.759 3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.591 1.248 2.528 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.587 2.677 2.723 1.00 0.00 H new ATOM 965 N GLN A 66 9.923 -2.695 3.903 1.00 0.00 N ATOM 966 CA GLN A 66 11.202 -2.044 3.644 1.00 0.00 C ATOM 967 C GLN A 66 11.903 -2.680 2.448 1.00 0.00 C ATOM 968 O GLN A 66 12.841 -2.110 1.890 1.00 0.00 O ATOM 969 CB GLN A 66 12.099 -2.127 4.880 1.00 0.00 C ATOM 970 CG GLN A 66 11.597 -1.299 6.052 1.00 0.00 C ATOM 971 CD GLN A 66 11.645 0.191 5.778 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.585 0.690 5.161 1.00 0.00 O ATOM 973 NE2 GLN A 66 10.628 0.910 6.237 1.00 0.00 N ATOM 0 H GLN A 66 9.886 -3.219 4.777 1.00 0.00 H new ATOM 0 HA GLN A 66 11.009 -0.996 3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.181 -3.169 5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.102 -1.794 4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.572 -1.589 6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.199 -1.522 6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.869 0.454 6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.605 1.918 6.083 1.00 0.00 H new ATOM 982 N THR A 67 11.442 -3.865 2.059 1.00 0.00 N ATOM 983 CA THR A 67 12.026 -4.580 0.930 1.00 0.00 C ATOM 984 C THR A 67 11.322 -4.220 -0.372 1.00 0.00 C ATOM 985 O THR A 67 11.931 -4.225 -1.442 1.00 0.00 O ATOM 986 CB THR A 67 11.957 -6.104 1.135 1.00 0.00 C ATOM 987 OG1 THR A 67 10.603 -6.553 1.015 1.00 0.00 O ATOM 988 CG2 THR A 67 12.508 -6.494 2.498 1.00 0.00 C ATOM 0 H THR A 67 10.666 -4.350 2.509 1.00 0.00 H new ATOM 0 HA THR A 67 13.071 -4.277 0.869 1.00 0.00 H new ATOM 0 HB THR A 67 12.567 -6.579 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.031 -6.032 1.617 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.448 -7.576 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.548 -6.177 2.574 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.923 -6.009 3.279 1.00 0.00 H new ATOM 996 N LEU A 68 10.034 -3.906 -0.275 1.00 0.00 N ATOM 997 CA LEU A 68 9.246 -3.542 -1.448 1.00 0.00 C ATOM 998 C LEU A 68 9.946 -2.457 -2.260 1.00 0.00 C ATOM 999 O LEU A 68 10.368 -1.437 -1.718 1.00 0.00 O ATOM 1000 CB LEU A 68 7.857 -3.060 -1.023 1.00 0.00 C ATOM 1001 CG LEU A 68 6.985 -4.083 -0.294 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.754 -3.412 0.296 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.583 -5.209 -1.235 1.00 0.00 C ATOM 0 H LEU A 68 9.514 -3.896 0.602 1.00 0.00 H new ATOM 0 HA LEU A 68 9.142 -4.428 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.978 -2.190 -0.377 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.323 -2.725 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 68 7.566 -4.510 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.146 -4.156 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.063 -2.643 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.170 -2.956 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.963 -5.927 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.020 -4.799 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.477 -5.709 -1.608 1.00 0.00 H new ATOM 1015 N GLY A 69 10.063 -2.685 -3.565 1.00 0.00 N ATOM 1016 CA GLY A 69 10.711 -1.718 -4.432 1.00 0.00 C ATOM 1017 C GLY A 69 9.932 -0.422 -4.537 1.00 0.00 C ATOM 1018 O GLY A 69 9.091 -0.124 -3.689 1.00 0.00 O ATOM 0 H GLY A 69 9.721 -3.522 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.711 -1.508 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.830 -2.148 -5.426 1.00 0.00 H new ATOM 1022 N ASP A 70 10.214 0.351 -5.580 1.00 0.00 N ATOM 1023 CA ASP A 70 9.536 1.624 -5.793 1.00 0.00 C ATOM 1024 C ASP A 70 8.330 1.450 -6.711 1.00 0.00 C ATOM 1025 O ASP A 70 8.331 0.595 -7.597 1.00 0.00 O ATOM 1026 CB ASP A 70 10.501 2.649 -6.389 1.00 0.00 C ATOM 1027 CG ASP A 70 11.651 2.973 -5.454 1.00 0.00 C ATOM 1028 OD1 ASP A 70 12.599 2.164 -5.378 1.00 0.00 O ATOM 1029 OD2 ASP A 70 11.602 4.034 -4.798 1.00 0.00 O ATOM 0 H ASP A 70 10.907 0.118 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 70 9.186 1.986 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.898 2.266 -7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.957 3.564 -6.622 1.00 0.00 H new ATOM 1034 N ASN A 71 7.303 2.265 -6.493 1.00 0.00 N ATOM 1035 CA ASN A 71 6.090 2.199 -7.300 1.00 0.00 C ATOM 1036 C ASN A 71 5.405 0.845 -7.144 1.00 0.00 C ATOM 1037 O ASN A 71 5.006 0.221 -8.126 1.00 0.00 O ATOM 1038 CB ASN A 71 6.419 2.449 -8.774 1.00 0.00 C ATOM 1039 CG ASN A 71 7.147 3.762 -8.989 1.00 0.00 C ATOM 1040 OD1 ASN A 71 6.526 4.793 -9.254 1.00 0.00 O ATOM 1041 ND2 ASN A 71 8.469 3.731 -8.876 1.00 0.00 N ATOM 0 H ASN A 71 7.287 2.979 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 71 5.408 2.974 -6.949 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.033 1.631 -9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.496 2.449 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.012 4.584 -9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.942 2.854 -8.655 1.00 0.00 H new ATOM 1048 N THR A 72 5.270 0.397 -5.899 1.00 0.00 N ATOM 1049 CA THR A 72 4.634 -0.882 -5.612 1.00 0.00 C ATOM 1050 C THR A 72 3.122 -0.729 -5.489 1.00 0.00 C ATOM 1051 O THR A 72 2.633 0.152 -4.784 1.00 0.00 O ATOM 1052 CB THR A 72 5.183 -1.504 -4.314 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.602 -1.670 -4.411 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.527 -2.849 -4.038 1.00 0.00 C ATOM 0 H THR A 72 5.593 0.902 -5.074 1.00 0.00 H new ATOM 0 HA THR A 72 4.863 -1.543 -6.448 1.00 0.00 H new ATOM 0 HB THR A 72 4.953 -0.830 -3.489 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.050 -0.890 -4.022 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.931 -3.269 -3.117 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.450 -2.714 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.729 -3.529 -4.865 1.00 0.00 H new ATOM 1062 N HIS A 73 2.386 -1.594 -6.181 1.00 0.00 N ATOM 1063 CA HIS A 73 0.928 -1.555 -6.150 1.00 0.00 C ATOM 1064 C HIS A 73 0.397 -2.194 -4.870 1.00 0.00 C ATOM 1065 O HIS A 73 1.001 -3.119 -4.328 1.00 0.00 O ATOM 1066 CB HIS A 73 0.351 -2.273 -7.369 1.00 0.00 C ATOM 1067 CG HIS A 73 0.248 -1.402 -8.583 1.00 0.00 C ATOM 1068 ND1 HIS A 73 -0.499 -0.299 -8.821 1.00 0.00 N flip ATOM 1069 CD2 HIS A 73 0.969 -1.630 -9.737 1.00 0.00 C flip ATOM 1070 CE1 HIS A 73 -0.218 0.116 -10.099 1.00 0.00 C flip ATOM 1071 NE2 HIS A 73 0.672 -0.704 -10.630 1.00 0.00 N flip ATOM 0 H HIS A 73 2.776 -2.330 -6.770 1.00 0.00 H new ATOM 0 HA HIS A 73 0.616 -0.511 -6.172 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.976 -3.135 -7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.639 -2.655 -7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.668 -2.440 -9.887 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.654 0.973 -10.591 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.063 -0.634 -11.570 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.737 -1.692 -4.391 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.349 -2.212 -3.174 1.00 0.00 C ATOM 1082 C PHE A 74 -2.865 -2.311 -3.327 1.00 0.00 C ATOM 1083 O PHE A 74 -3.448 -1.716 -4.231 1.00 0.00 O ATOM 1084 CB PHE A 74 -1.004 -1.318 -1.982 1.00 0.00 C ATOM 1085 CG PHE A 74 0.465 -1.272 -1.672 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.201 -2.441 -1.565 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.111 -0.060 -1.489 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.553 -2.402 -1.280 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.462 -0.014 -1.204 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.185 -1.188 -1.100 1.00 0.00 C ATOM 0 H PHE A 74 -1.250 -0.926 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.953 -3.212 -2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.357 -0.306 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.542 -1.674 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.713 -3.394 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.551 0.860 -1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.115 -3.321 -1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.953 0.938 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.242 -1.155 -0.878 1.00 0.00 H new ATOM 1100 N MET A 75 -3.494 -3.070 -2.436 1.00 0.00 N ATOM 1101 CA MET A 75 -4.942 -3.248 -2.471 1.00 0.00 C ATOM 1102 C MET A 75 -5.544 -3.074 -1.081 1.00 0.00 C ATOM 1103 O MET A 75 -5.153 -3.758 -0.134 1.00 0.00 O ATOM 1104 CB MET A 75 -5.293 -4.630 -3.023 1.00 0.00 C ATOM 1105 CG MET A 75 -6.720 -5.060 -2.723 1.00 0.00 C ATOM 1106 SD MET A 75 -7.374 -6.206 -3.952 1.00 0.00 S ATOM 1107 CE MET A 75 -7.583 -5.113 -5.356 1.00 0.00 C ATOM 0 H MET A 75 -3.025 -3.571 -1.682 1.00 0.00 H new ATOM 0 HA MET A 75 -5.362 -2.486 -3.127 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.142 -4.630 -4.102 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.605 -5.365 -2.604 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.755 -5.529 -1.740 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.359 -4.178 -2.678 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.554 -5.295 -5.817 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.528 -4.077 -5.022 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.794 -5.301 -6.084 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.497 -2.156 -0.965 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.154 -1.894 0.310 1.00 0.00 C ATOM 1119 C ILE A 76 -8.499 -2.610 0.392 1.00 0.00 C ATOM 1120 O ILE A 76 -9.357 -2.444 -0.476 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.374 -0.386 0.531 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.445 -0.072 2.026 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.642 0.073 -0.173 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.096 0.214 2.648 1.00 0.00 C ATOM 0 H ILE A 76 -6.832 -1.581 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.494 -2.274 1.089 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.529 0.155 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.096 0.789 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.904 -0.914 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.784 1.141 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.555 -0.120 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.497 -0.473 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.223 0.428 3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.449 -0.655 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.643 1.075 2.156 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.676 -3.403 1.443 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.917 -4.144 1.642 1.00 0.00 C ATOM 1138 C LEU A 77 -10.558 -3.783 2.977 1.00 0.00 C ATOM 1139 O LEU A 77 -9.974 -4.006 4.037 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.651 -5.648 1.581 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.902 -6.148 0.346 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.531 -7.615 0.504 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.740 -5.940 -0.908 1.00 0.00 C ATOM 0 H LEU A 77 -7.976 -3.549 2.170 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.607 -3.871 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.082 -5.932 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.607 -6.168 1.637 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.983 -5.571 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.999 -7.953 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.892 -7.736 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.437 -8.208 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.190 -6.302 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.676 -6.491 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.954 -4.878 -1.031 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.764 -3.225 2.918 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.485 -2.835 4.124 1.00 0.00 C ATOM 1157 C GLU A 78 -12.968 -4.063 4.890 1.00 0.00 C ATOM 1158 O GLU A 78 -12.845 -5.193 4.418 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.676 -1.942 3.767 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.274 -0.590 3.202 1.00 0.00 C ATOM 1161 CD GLU A 78 -12.886 -0.661 1.738 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -11.694 -0.899 1.451 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -13.774 -0.481 0.880 1.00 0.00 O ATOM 0 H GLU A 78 -12.261 -3.033 2.048 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.800 -2.277 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.302 -2.459 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.284 -1.788 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.101 0.110 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.437 -0.195 3.777 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.518 -3.834 6.078 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.021 -4.919 6.912 1.00 0.00 C ATOM 1172 C LYS A 79 -15.135 -5.680 6.201 1.00 0.00 C ATOM 1173 O LYS A 79 -16.316 -5.433 6.434 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.535 -4.370 8.245 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.019 -5.446 9.200 1.00 0.00 C ATOM 1176 CD LYS A 79 -16.102 -4.922 10.128 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.507 -4.213 11.335 1.00 0.00 C ATOM 1178 NZ LYS A 79 -16.537 -3.447 12.091 1.00 0.00 N ATOM 0 H LYS A 79 -13.627 -2.905 6.485 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.198 -5.608 7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.739 -3.801 8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.351 -3.674 8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.404 -6.292 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.180 -5.814 9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.748 -4.234 9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.728 -5.750 10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.043 -4.946 11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.719 -3.536 11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.092 -2.978 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.963 -2.730 11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.276 -4.097 12.427 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.748 -6.610 5.331 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.726 -7.394 4.601 1.00 0.00 C ATOM 1194 C GLY A 80 -15.420 -7.466 3.118 1.00 0.00 C ATOM 1195 O GLY A 80 -16.330 -7.450 2.289 1.00 0.00 O ATOM 0 H GLY A 80 -13.775 -6.833 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.758 -8.403 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.715 -6.960 4.744 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.137 -7.545 2.782 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.713 -7.617 1.389 1.00 0.00 C ATOM 1201 C GLN A 81 -12.475 -8.494 1.240 1.00 0.00 C ATOM 1202 O GLN A 81 -11.739 -8.716 2.202 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.429 -6.215 0.847 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.677 -5.364 0.673 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.545 -4.360 -0.455 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.180 -4.497 -1.501 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -13.718 -3.342 -0.248 1.00 0.00 N ATOM 0 H GLN A 81 -13.372 -7.561 3.456 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.523 -8.064 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.743 -5.705 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.922 -6.302 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.531 -6.013 0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.884 -4.835 1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.212 -3.268 0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.589 -2.634 -0.971 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.250 -8.992 0.029 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.101 -9.844 -0.248 1.00 0.00 C ATOM 1218 C LYS A 82 -10.384 -9.396 -1.517 1.00 0.00 C ATOM 1219 O LYS A 82 -10.941 -8.654 -2.326 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.543 -11.303 -0.386 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.614 -11.516 -1.442 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.006 -11.709 -2.821 1.00 0.00 C ATOM 1223 CE LYS A 82 -12.907 -12.548 -3.714 1.00 0.00 C ATOM 1224 NZ LYS A 82 -12.982 -13.962 -3.254 1.00 0.00 N ATOM 0 H LYS A 82 -12.850 -8.819 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.407 -9.759 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.675 -11.915 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.918 -11.653 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.214 -12.388 -1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.287 -10.659 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.836 -10.737 -3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.033 -12.192 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.908 -12.117 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.533 -12.518 -4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.289 -14.567 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.045 -14.270 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.664 -14.037 -2.473 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.148 -9.853 -1.685 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.356 -9.499 -2.858 1.00 0.00 C ATOM 1240 C TRP A 83 -8.769 -10.334 -4.065 1.00 0.00 C ATOM 1241 O TRP A 83 -9.097 -11.513 -3.933 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.866 -9.697 -2.571 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.024 -9.740 -3.810 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.248 -8.733 -4.310 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.874 -10.847 -4.705 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.625 -9.148 -5.462 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.991 -10.441 -5.726 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.397 -12.142 -4.743 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.625 -11.284 -6.772 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -6.031 -12.978 -5.782 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.152 -12.546 -6.784 1.00 0.00 C ATOM 0 H TRP A 83 -8.673 -10.469 -1.025 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.539 -8.449 -3.086 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.516 -8.888 -1.930 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.730 -10.625 -2.016 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.140 -7.755 -3.865 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -3.992 -8.584 -6.029 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.075 -12.484 -3.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.949 -10.953 -7.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.429 -13.981 -5.822 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.885 -13.223 -7.582 1.00 0.00 H new ATOM 1262 N MET A 84 -8.749 -9.716 -5.241 1.00 0.00 N ATOM 1263 CA MET A 84 -9.121 -10.404 -6.472 1.00 0.00 C ATOM 1264 C MET A 84 -8.076 -10.174 -7.559 1.00 0.00 C ATOM 1265 O MET A 84 -7.496 -9.095 -7.679 1.00 0.00 O ATOM 1266 CB MET A 84 -10.491 -9.926 -6.956 1.00 0.00 C ATOM 1267 CG MET A 84 -11.600 -10.129 -5.936 1.00 0.00 C ATOM 1268 SD MET A 84 -13.216 -10.351 -6.703 1.00 0.00 S ATOM 1269 CE MET A 84 -13.176 -12.102 -7.078 1.00 0.00 C ATOM 0 H MET A 84 -8.479 -8.741 -5.368 1.00 0.00 H new ATOM 0 HA MET A 84 -9.172 -11.472 -6.261 1.00 0.00 H new ATOM 0 HB2 MET A 84 -10.429 -8.867 -7.208 1.00 0.00 H new ATOM 0 HB3 MET A 84 -10.749 -10.457 -7.872 1.00 0.00 H new ATOM 0 HG2 MET A 84 -11.370 -11.001 -5.323 1.00 0.00 H new ATOM 0 HG3 MET A 84 -11.635 -9.269 -5.267 1.00 0.00 H new ATOM 0 HE1 MET A 84 -13.495 -12.261 -8.108 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.161 -12.478 -6.950 1.00 0.00 H new ATOM 0 HE3 MET A 84 -13.848 -12.634 -6.404 1.00 0.00 H new ATOM 1279 N PRO A 85 -7.829 -11.212 -8.372 1.00 0.00 N ATOM 1280 CA PRO A 85 -6.852 -11.148 -9.465 1.00 0.00 C ATOM 1281 C PRO A 85 -7.314 -10.243 -10.601 1.00 0.00 C ATOM 1282 O PRO A 85 -8.372 -9.619 -10.520 1.00 0.00 O ATOM 1283 CB PRO A 85 -6.757 -12.599 -9.942 1.00 0.00 C ATOM 1284 CG PRO A 85 -8.062 -13.209 -9.562 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.482 -12.529 -8.288 1.00 0.00 C ATOM 0 HA PRO A 85 -5.900 -10.730 -9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.594 -12.652 -11.018 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.924 -13.118 -9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.805 -13.062 -10.346 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.962 -14.285 -9.416 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -9.566 -12.436 -8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.154 -13.085 -7.409 1.00 0.00 H new ATOM 1293 N SER A 86 -6.514 -10.175 -11.660 1.00 0.00 N ATOM 1294 CA SER A 86 -6.838 -9.342 -12.812 1.00 0.00 C ATOM 1295 C SER A 86 -7.638 -10.131 -13.844 1.00 0.00 C ATOM 1296 O SER A 86 -7.204 -11.185 -14.309 1.00 0.00 O ATOM 1297 CB SER A 86 -5.560 -8.795 -13.450 1.00 0.00 C ATOM 1298 OG SER A 86 -5.816 -8.286 -14.747 1.00 0.00 O ATOM 0 H SER A 86 -5.636 -10.687 -11.744 1.00 0.00 H new ATOM 0 HA SER A 86 -7.447 -8.507 -12.465 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.145 -8.007 -12.822 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.811 -9.585 -13.507 1.00 0.00 H new ATOM 0 HG SER A 86 -4.984 -7.941 -15.133 1.00 0.00 H new ATOM 1304 N GLY A 87 -8.810 -9.613 -14.199 1.00 0.00 N ATOM 1305 CA GLY A 87 -9.653 -10.281 -15.173 1.00 0.00 C ATOM 1306 C GLY A 87 -11.068 -9.741 -15.185 1.00 0.00 C ATOM 1307 O GLY A 87 -11.386 -8.760 -14.511 1.00 0.00 O ATOM 0 H GLY A 87 -9.191 -8.742 -13.829 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.216 -10.167 -16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.677 -11.349 -14.956 1.00 0.00 H new ATOM 1311 N PRO A 88 -11.946 -10.385 -15.967 1.00 0.00 N ATOM 1312 CA PRO A 88 -13.351 -9.979 -16.082 1.00 0.00 C ATOM 1313 C PRO A 88 -14.140 -10.249 -14.806 1.00 0.00 C ATOM 1314 O PRO A 88 -14.694 -11.333 -14.625 1.00 0.00 O ATOM 1315 CB PRO A 88 -13.877 -10.845 -17.229 1.00 0.00 C ATOM 1316 CG PRO A 88 -12.993 -12.044 -17.235 1.00 0.00 C ATOM 1317 CD PRO A 88 -11.637 -11.561 -16.797 1.00 0.00 C ATOM 0 HA PRO A 88 -13.452 -8.908 -16.256 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.919 -11.122 -17.070 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -13.830 -10.314 -18.180 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.371 -12.811 -16.559 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.946 -12.490 -18.229 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.102 -12.324 -16.230 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.010 -11.298 -17.649 1.00 0.00 H new ATOM 1325 N SER A 89 -14.186 -9.257 -13.922 1.00 0.00 N ATOM 1326 CA SER A 89 -14.905 -9.388 -12.661 1.00 0.00 C ATOM 1327 C SER A 89 -16.355 -8.938 -12.812 1.00 0.00 C ATOM 1328 O SER A 89 -16.767 -8.484 -13.879 1.00 0.00 O ATOM 1329 CB SER A 89 -14.215 -8.569 -11.568 1.00 0.00 C ATOM 1330 OG SER A 89 -14.083 -7.213 -11.956 1.00 0.00 O ATOM 0 H SER A 89 -13.733 -8.353 -14.057 1.00 0.00 H new ATOM 0 HA SER A 89 -14.898 -10.440 -12.375 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.790 -8.632 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.231 -8.989 -11.361 1.00 0.00 H new ATOM 0 HG SER A 89 -13.641 -6.710 -11.241 1.00 0.00 H new ATOM 1336 N SER A 90 -17.123 -9.068 -11.736 1.00 0.00 N ATOM 1337 CA SER A 90 -18.528 -8.680 -11.748 1.00 0.00 C ATOM 1338 C SER A 90 -18.707 -7.270 -11.192 1.00 0.00 C ATOM 1339 O SER A 90 -17.943 -6.828 -10.334 1.00 0.00 O ATOM 1340 CB SER A 90 -19.361 -9.670 -10.931 1.00 0.00 C ATOM 1341 OG SER A 90 -19.086 -9.549 -9.546 1.00 0.00 O ATOM 0 H SER A 90 -16.796 -9.439 -10.844 1.00 0.00 H new ATOM 0 HA SER A 90 -18.873 -8.692 -12.782 1.00 0.00 H new ATOM 0 HB2 SER A 90 -20.421 -9.493 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 90 -19.148 -10.687 -11.260 1.00 0.00 H new ATOM 0 HG SER A 90 -19.632 -10.191 -9.047 1.00 0.00 H new ATOM 1347 N GLY A 91 -19.720 -6.568 -11.689 1.00 0.00 N ATOM 1348 CA GLY A 91 -19.981 -5.216 -11.232 1.00 0.00 C ATOM 1349 C GLY A 91 -20.366 -5.162 -9.768 1.00 0.00 C ATOM 1350 O GLY A 91 -21.187 -5.956 -9.306 1.00 0.00 O ATOM 0 H GLY A 91 -20.365 -6.912 -12.400 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -19.094 -4.604 -11.394 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.781 -4.782 -11.831 1.00 0.00 H new TER 1354 GLY A 91