USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 552 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 88 HIS : no HD1:sc= -2.08 X(o=-3,f=-3.4) USER MOD Set 1.2: A 92 SER OG : rot -130:sc= -0.948 USER MOD Set 2.1: A 52 SER OG : rot -54:sc= 0.975 USER MOD Set 2.2: A 78 TYR OH : rot 33:sc= 2.08 USER MOD Set 3.1: A 15 GLN : amide:sc= -2.43! C(o=-2.5!,f=-2.8!) USER MOD Set 3.2: A 17 GLN : amide:sc= -0.121 X(o=-2.5,f=-2.3) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 23:sc= 0.205 USER MOD Single : A 27 ASN : amide:sc= -2.28 K(o=-2.3,f=-0.13) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0209 (180deg=-0.207) USER MOD Single : A 30 ASN : amide:sc= -2.3 K(o=-2.3,f=-1.2) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 70:sc= 0.458 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 54 SER OG : rot 113:sc= -0.141 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.49) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 160:sc= -0.118 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 147:sc= -0.891! USER MOD Single : A 81 ASN : amide:sc= -0.721 K(o=-0.72,f=-0.12) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 11 -0.532 15.485 2.282 1.00 0.00 N ATOM 102 CA PRO A 11 -0.808 14.047 2.228 1.00 0.00 C ATOM 103 C PRO A 11 -2.025 13.723 1.368 1.00 0.00 C ATOM 104 O PRO A 11 -2.369 12.556 1.176 1.00 0.00 O ATOM 105 CB PRO A 11 -1.075 13.681 3.690 1.00 0.00 C ATOM 106 CG PRO A 11 -1.543 14.949 4.318 1.00 0.00 C ATOM 107 CD PRO A 11 -0.812 16.056 3.611 1.00 0.00 C ATOM 0 HA PRO A 11 0.015 13.491 1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.828 12.897 3.771 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.173 13.308 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.622 15.063 4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.327 14.958 5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.420 16.958 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.105 16.329 4.133 1.00 0.00 H new ATOM 115 N SER A 12 -2.673 14.762 0.851 1.00 0.00 N ATOM 116 CA SER A 12 -3.853 14.588 0.013 1.00 0.00 C ATOM 117 C SER A 12 -3.466 14.493 -1.459 1.00 0.00 C ATOM 118 O SER A 12 -4.114 13.796 -2.240 1.00 0.00 O ATOM 119 CB SER A 12 -4.829 15.748 0.222 1.00 0.00 C ATOM 120 OG SER A 12 -4.325 16.946 -0.342 1.00 0.00 O ATOM 0 H SER A 12 -2.400 15.734 0.998 1.00 0.00 H new ATOM 0 HA SER A 12 -4.339 13.657 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.790 15.505 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.006 15.891 1.288 1.00 0.00 H new ATOM 0 HG SER A 12 -4.968 17.672 -0.197 1.00 0.00 H new ATOM 126 N ARG A 13 -2.403 15.200 -1.831 1.00 0.00 N ATOM 127 CA ARG A 13 -1.929 15.198 -3.210 1.00 0.00 C ATOM 128 C ARG A 13 -1.477 13.801 -3.627 1.00 0.00 C ATOM 129 O ARG A 13 -1.390 13.495 -4.817 1.00 0.00 O ATOM 130 CB ARG A 13 -0.776 16.190 -3.377 1.00 0.00 C ATOM 131 CG ARG A 13 -1.182 17.638 -3.158 1.00 0.00 C ATOM 132 CD ARG A 13 -2.036 18.157 -4.304 1.00 0.00 C ATOM 133 NE ARG A 13 -1.272 18.282 -5.542 1.00 0.00 N ATOM 134 CZ ARG A 13 -1.619 19.085 -6.542 1.00 0.00 C ATOM 135 NH1 ARG A 13 -2.711 19.830 -6.450 1.00 0.00 N ATOM 136 NH2 ARG A 13 -0.872 19.143 -7.637 1.00 0.00 N ATOM 0 H ARG A 13 -1.854 15.781 -1.197 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.756 15.501 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.017 15.934 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.360 16.086 -4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.735 17.724 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.290 18.256 -3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.877 17.483 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.452 19.128 -4.035 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.426 17.722 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.288 19.788 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.975 20.446 -7.219 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.031 18.571 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.139 19.760 -8.404 1.00 0.00 H new ATOM 150 N VAL A 14 -1.191 12.958 -2.641 1.00 0.00 N ATOM 151 CA VAL A 14 -0.749 11.594 -2.905 1.00 0.00 C ATOM 152 C VAL A 14 -1.921 10.704 -3.302 1.00 0.00 C ATOM 153 O VAL A 14 -3.074 11.008 -2.998 1.00 0.00 O ATOM 154 CB VAL A 14 -0.048 10.984 -1.677 1.00 0.00 C ATOM 155 CG1 VAL A 14 0.576 9.642 -2.030 1.00 0.00 C ATOM 156 CG2 VAL A 14 1.001 11.942 -1.132 1.00 0.00 C ATOM 0 H VAL A 14 -1.257 13.195 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.039 11.645 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.794 10.818 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.067 9.226 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.201 8.957 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.310 9.780 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.486 11.495 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.746 12.142 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.523 12.877 -0.839 1.00 0.00 H new ATOM 166 N GLN A 15 -1.617 9.603 -3.981 1.00 0.00 N ATOM 167 CA GLN A 15 -2.646 8.668 -4.420 1.00 0.00 C ATOM 168 C GLN A 15 -2.110 7.240 -4.443 1.00 0.00 C ATOM 169 O GLN A 15 -0.912 7.019 -4.616 1.00 0.00 O ATOM 170 CB GLN A 15 -3.158 9.055 -5.809 1.00 0.00 C ATOM 171 CG GLN A 15 -2.363 8.433 -6.945 1.00 0.00 C ATOM 172 CD GLN A 15 -2.354 9.296 -8.192 1.00 0.00 C ATOM 173 OE1 GLN A 15 -1.867 10.426 -8.174 1.00 0.00 O ATOM 174 NE2 GLN A 15 -2.893 8.766 -9.283 1.00 0.00 N ATOM 0 H GLN A 15 -0.667 9.337 -4.239 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.471 8.716 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.202 8.754 -5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.130 10.140 -5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.337 8.265 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.784 7.457 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.285 7.825 -9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.915 9.300 -10.152 1.00 0.00 H new ATOM 183 N ALA A 16 -3.006 6.274 -4.265 1.00 0.00 N ATOM 184 CA ALA A 16 -2.624 4.868 -4.267 1.00 0.00 C ATOM 185 C ALA A 16 -3.641 4.023 -5.026 1.00 0.00 C ATOM 186 O ALA A 16 -4.835 4.057 -4.727 1.00 0.00 O ATOM 187 CB ALA A 16 -2.472 4.360 -2.840 1.00 0.00 C ATOM 0 H ALA A 16 -4.001 6.440 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.665 4.779 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.186 3.308 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.702 4.937 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.419 4.470 -2.312 1.00 0.00 H new ATOM 193 N GLN A 17 -3.161 3.267 -6.008 1.00 0.00 N ATOM 194 CA GLN A 17 -4.031 2.415 -6.810 1.00 0.00 C ATOM 195 C GLN A 17 -3.290 1.166 -7.277 1.00 0.00 C ATOM 196 O GLN A 17 -2.079 1.195 -7.492 1.00 0.00 O ATOM 197 CB GLN A 17 -4.564 3.187 -8.018 1.00 0.00 C ATOM 198 CG GLN A 17 -3.523 3.416 -9.102 1.00 0.00 C ATOM 199 CD GLN A 17 -4.024 4.317 -10.213 1.00 0.00 C ATOM 200 OE1 GLN A 17 -4.365 3.851 -11.301 1.00 0.00 O ATOM 201 NE2 GLN A 17 -4.073 5.617 -9.944 1.00 0.00 N ATOM 0 H GLN A 17 -2.175 3.227 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.870 2.106 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.406 2.642 -8.444 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.945 4.151 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.631 3.857 -8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.227 2.456 -9.524 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.781 5.960 -9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.403 6.272 -10.653 1.00 0.00 H new ATOM 210 N GLY A 18 -4.026 0.070 -7.431 1.00 0.00 N ATOM 211 CA GLY A 18 -3.421 -1.174 -7.871 1.00 0.00 C ATOM 212 C GLY A 18 -4.059 -2.388 -7.226 1.00 0.00 C ATOM 213 O GLY A 18 -5.044 -2.284 -6.495 1.00 0.00 O ATOM 0 H GLY A 18 -5.030 0.021 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.509 -1.254 -8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.356 -1.159 -7.637 1.00 0.00 H new ATOM 217 N PRO A 19 -3.492 -3.574 -7.498 1.00 0.00 N ATOM 218 CA PRO A 19 -3.996 -4.836 -6.949 1.00 0.00 C ATOM 219 C PRO A 19 -3.754 -4.954 -5.449 1.00 0.00 C ATOM 220 O PRO A 19 -4.635 -5.374 -4.699 1.00 0.00 O ATOM 221 CB PRO A 19 -3.193 -5.897 -7.706 1.00 0.00 C ATOM 222 CG PRO A 19 -1.936 -5.205 -8.108 1.00 0.00 C ATOM 223 CD PRO A 19 -2.316 -3.772 -8.361 1.00 0.00 C ATOM 0 HA PRO A 19 -5.075 -4.931 -7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.985 -6.761 -7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.740 -6.262 -8.576 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.183 -5.276 -7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.509 -5.659 -9.002 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.507 -3.090 -8.101 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.554 -3.599 -9.410 1.00 0.00 H new ATOM 231 N GLY A 20 -2.554 -4.580 -5.016 1.00 0.00 N ATOM 232 CA GLY A 20 -2.218 -4.651 -3.606 1.00 0.00 C ATOM 233 C GLY A 20 -3.181 -3.862 -2.740 1.00 0.00 C ATOM 234 O GLY A 20 -3.194 -4.012 -1.518 1.00 0.00 O ATOM 0 H GLY A 20 -1.808 -4.229 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.218 -5.693 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.207 -4.273 -3.457 1.00 0.00 H new ATOM 238 N LEU A 21 -3.987 -3.017 -3.373 1.00 0.00 N ATOM 239 CA LEU A 21 -4.956 -2.199 -2.653 1.00 0.00 C ATOM 240 C LEU A 21 -6.380 -2.664 -2.938 1.00 0.00 C ATOM 241 O LEU A 21 -7.288 -2.449 -2.135 1.00 0.00 O ATOM 242 CB LEU A 21 -4.801 -0.728 -3.042 1.00 0.00 C ATOM 243 CG LEU A 21 -3.369 -0.192 -3.083 1.00 0.00 C ATOM 244 CD1 LEU A 21 -3.321 1.148 -3.802 1.00 0.00 C ATOM 245 CD2 LEU A 21 -2.806 -0.065 -1.675 1.00 0.00 C ATOM 0 H LEU A 21 -3.989 -2.880 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.764 -2.308 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.250 -0.583 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.374 -0.124 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.752 -0.900 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.294 1.514 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.682 1.026 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.952 1.865 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.787 0.318 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.424 0.622 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.804 -1.043 -1.195 1.00 0.00 H new ATOM 257 N LYS A 22 -6.569 -3.305 -4.087 1.00 0.00 N ATOM 258 CA LYS A 22 -7.881 -3.805 -4.478 1.00 0.00 C ATOM 259 C LYS A 22 -8.099 -5.224 -3.963 1.00 0.00 C ATOM 260 O LYS A 22 -9.081 -5.500 -3.275 1.00 0.00 O ATOM 261 CB LYS A 22 -8.027 -3.776 -6.001 1.00 0.00 C ATOM 262 CG LYS A 22 -9.394 -4.223 -6.490 1.00 0.00 C ATOM 263 CD LYS A 22 -9.736 -3.605 -7.835 1.00 0.00 C ATOM 264 CE LYS A 22 -11.230 -3.663 -8.113 1.00 0.00 C ATOM 265 NZ LYS A 22 -11.654 -5.010 -8.585 1.00 0.00 N ATOM 0 H LYS A 22 -5.829 -3.490 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.636 -3.157 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.837 -2.763 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.265 -4.418 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.414 -5.310 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.152 -3.945 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.401 -2.568 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.198 -4.129 -8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.778 -3.407 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.489 -2.917 -8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.679 -5.009 -8.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.150 -5.245 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.430 -5.719 -7.858 1.00 0.00 H new ATOM 279 N GLU A 23 -7.176 -6.119 -4.299 1.00 0.00 N ATOM 280 CA GLU A 23 -7.268 -7.509 -3.869 1.00 0.00 C ATOM 281 C GLU A 23 -5.880 -8.131 -3.735 1.00 0.00 C ATOM 282 O GLU A 23 -4.965 -7.798 -4.487 1.00 0.00 O ATOM 283 CB GLU A 23 -8.108 -8.318 -4.859 1.00 0.00 C ATOM 284 CG GLU A 23 -7.732 -9.790 -4.917 1.00 0.00 C ATOM 285 CD GLU A 23 -8.771 -10.630 -5.634 1.00 0.00 C ATOM 286 OE1 GLU A 23 -9.816 -10.931 -5.020 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.539 -10.986 -6.808 1.00 0.00 O ATOM 0 H GLU A 23 -6.356 -5.907 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.752 -7.529 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.160 -8.231 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.000 -7.885 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.772 -9.896 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.601 -10.168 -3.903 1.00 0.00 H new ATOM 294 N ALA A 24 -5.734 -9.034 -2.772 1.00 0.00 N ATOM 295 CA ALA A 24 -4.460 -9.703 -2.540 1.00 0.00 C ATOM 296 C ALA A 24 -4.665 -11.181 -2.225 1.00 0.00 C ATOM 297 O ALA A 24 -5.797 -11.649 -2.102 1.00 0.00 O ATOM 298 CB ALA A 24 -3.703 -9.021 -1.410 1.00 0.00 C ATOM 0 H ALA A 24 -6.482 -9.319 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.869 -9.631 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.754 -9.531 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.515 -7.980 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.297 -9.062 -0.497 1.00 0.00 H new ATOM 304 N PHE A 25 -3.563 -11.912 -2.095 1.00 0.00 N ATOM 305 CA PHE A 25 -3.623 -13.338 -1.795 1.00 0.00 C ATOM 306 C PHE A 25 -2.544 -13.728 -0.789 1.00 0.00 C ATOM 307 O PHE A 25 -1.602 -12.973 -0.547 1.00 0.00 O ATOM 308 CB PHE A 25 -3.460 -14.158 -3.077 1.00 0.00 C ATOM 309 CG PHE A 25 -4.755 -14.405 -3.798 1.00 0.00 C ATOM 310 CD1 PHE A 25 -5.275 -13.455 -4.662 1.00 0.00 C ATOM 311 CD2 PHE A 25 -5.451 -15.589 -3.613 1.00 0.00 C ATOM 312 CE1 PHE A 25 -6.466 -13.680 -5.326 1.00 0.00 C ATOM 313 CE2 PHE A 25 -6.642 -15.820 -4.274 1.00 0.00 C ATOM 314 CZ PHE A 25 -7.150 -14.864 -5.133 1.00 0.00 C ATOM 0 H PHE A 25 -2.618 -11.541 -2.193 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.598 -13.551 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.774 -13.639 -3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.002 -15.116 -2.831 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.744 -12.528 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.058 -16.340 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.861 -12.930 -5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.175 -16.746 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.080 -15.043 -5.652 1.00 0.00 H new ATOM 324 N THR A 26 -2.688 -14.914 -0.205 1.00 0.00 N ATOM 325 CA THR A 26 -1.729 -15.405 0.776 1.00 0.00 C ATOM 326 C THR A 26 -0.467 -15.926 0.098 1.00 0.00 C ATOM 327 O THR A 26 -0.535 -16.757 -0.807 1.00 0.00 O ATOM 328 CB THR A 26 -2.334 -16.527 1.641 1.00 0.00 C ATOM 329 OG1 THR A 26 -2.753 -17.614 0.809 1.00 0.00 O ATOM 330 CG2 THR A 26 -3.517 -16.011 2.446 1.00 0.00 C ATOM 0 H THR A 26 -3.461 -15.552 -0.395 1.00 0.00 H new ATOM 0 HA THR A 26 -1.472 -14.561 1.417 1.00 0.00 H new ATOM 0 HB THR A 26 -1.568 -16.875 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.262 -17.586 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.928 -16.821 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.188 -15.203 3.099 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.284 -15.639 1.767 1.00 0.00 H new ATOM 338 N ASN A 27 0.685 -15.433 0.542 1.00 0.00 N ATOM 339 CA ASN A 27 1.963 -15.849 -0.023 1.00 0.00 C ATOM 340 C ASN A 27 2.055 -15.471 -1.499 1.00 0.00 C ATOM 341 O ASN A 27 2.622 -16.208 -2.306 1.00 0.00 O ATOM 342 CB ASN A 27 2.149 -17.359 0.140 1.00 0.00 C ATOM 343 CG ASN A 27 2.255 -17.774 1.595 1.00 0.00 C ATOM 344 OD1 ASN A 27 3.277 -18.310 2.026 1.00 0.00 O ATOM 345 ND2 ASN A 27 1.198 -17.528 2.359 1.00 0.00 N ATOM 0 H ASN A 27 0.759 -14.745 1.291 1.00 0.00 H new ATOM 0 HA ASN A 27 2.756 -15.331 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.310 -17.878 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.049 -17.671 -0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.211 -17.785 3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.372 -17.082 1.959 1.00 0.00 H new ATOM 352 N LYS A 28 1.494 -14.318 -1.844 1.00 0.00 N ATOM 353 CA LYS A 28 1.513 -13.839 -3.221 1.00 0.00 C ATOM 354 C LYS A 28 2.039 -12.409 -3.293 1.00 0.00 C ATOM 355 O LYS A 28 1.776 -11.580 -2.421 1.00 0.00 O ATOM 356 CB LYS A 28 0.109 -13.908 -3.826 1.00 0.00 C ATOM 357 CG LYS A 28 -0.302 -15.306 -4.253 1.00 0.00 C ATOM 358 CD LYS A 28 -1.266 -15.271 -5.426 1.00 0.00 C ATOM 359 CE LYS A 28 -0.528 -15.272 -6.756 1.00 0.00 C ATOM 360 NZ LYS A 28 0.099 -16.592 -7.041 1.00 0.00 N ATOM 0 H LYS A 28 1.020 -13.697 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 28 2.181 -14.482 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.610 -13.534 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.062 -13.245 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.584 -15.879 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.768 -15.821 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.931 -16.133 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.892 -14.381 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.223 -15.019 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.241 -14.499 -6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.307 -16.665 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.983 -16.681 -6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.554 -17.353 -6.765 1.00 0.00 H new ATOM 374 N PRO A 29 2.800 -12.110 -4.356 1.00 0.00 N ATOM 375 CA PRO A 29 3.378 -10.779 -4.567 1.00 0.00 C ATOM 376 C PRO A 29 2.319 -9.736 -4.909 1.00 0.00 C ATOM 377 O PRO A 29 1.752 -9.748 -6.000 1.00 0.00 O ATOM 378 CB PRO A 29 4.325 -10.988 -5.752 1.00 0.00 C ATOM 379 CG PRO A 29 3.766 -12.159 -6.482 1.00 0.00 C ATOM 380 CD PRO A 29 3.155 -13.048 -5.434 1.00 0.00 C ATOM 0 HA PRO A 29 3.871 -10.401 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.362 -10.105 -6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.344 -11.181 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.019 -11.844 -7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.546 -12.684 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.279 -13.574 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.858 -13.807 -5.091 1.00 0.00 H new ATOM 388 N ASN A 30 2.059 -8.834 -3.968 1.00 0.00 N ATOM 389 CA ASN A 30 1.068 -7.783 -4.169 1.00 0.00 C ATOM 390 C ASN A 30 1.727 -6.407 -4.166 1.00 0.00 C ATOM 391 O ASN A 30 2.359 -6.011 -3.187 1.00 0.00 O ATOM 392 CB ASN A 30 -0.005 -7.850 -3.081 1.00 0.00 C ATOM 393 CG ASN A 30 -0.281 -9.270 -2.627 1.00 0.00 C ATOM 394 OD1 ASN A 30 -1.010 -10.013 -3.285 1.00 0.00 O ATOM 395 ND2 ASN A 30 0.302 -9.654 -1.498 1.00 0.00 N ATOM 0 H ASN A 30 2.521 -8.810 -3.059 1.00 0.00 H new ATOM 0 HA ASN A 30 0.600 -7.940 -5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.311 -7.253 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.927 -7.406 -3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.154 -10.599 -1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.898 -9.004 -0.985 1.00 0.00 H new ATOM 402 N VAL A 31 1.573 -5.681 -5.269 1.00 0.00 N ATOM 403 CA VAL A 31 2.151 -4.348 -5.394 1.00 0.00 C ATOM 404 C VAL A 31 1.088 -3.321 -5.769 1.00 0.00 C ATOM 405 O VAL A 31 -0.047 -3.675 -6.090 1.00 0.00 O ATOM 406 CB VAL A 31 3.272 -4.319 -6.449 1.00 0.00 C ATOM 407 CG1 VAL A 31 4.334 -5.360 -6.130 1.00 0.00 C ATOM 408 CG2 VAL A 31 2.699 -4.540 -7.841 1.00 0.00 C ATOM 0 H VAL A 31 1.053 -5.994 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 31 2.571 -4.093 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 31 3.743 -3.336 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.118 -5.324 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.765 -5.152 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.881 -6.351 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.505 -4.516 -8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.201 -5.509 -7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.979 -3.753 -8.067 1.00 0.00 H new ATOM 418 N PHE A 32 1.463 -2.047 -5.726 1.00 0.00 N ATOM 419 CA PHE A 32 0.542 -0.968 -6.061 1.00 0.00 C ATOM 420 C PHE A 32 1.303 0.294 -6.456 1.00 0.00 C ATOM 421 O PHE A 32 2.429 0.520 -6.010 1.00 0.00 O ATOM 422 CB PHE A 32 -0.381 -0.670 -4.877 1.00 0.00 C ATOM 423 CG PHE A 32 0.345 -0.546 -3.568 1.00 0.00 C ATOM 424 CD1 PHE A 32 0.857 0.674 -3.157 1.00 0.00 C ATOM 425 CD2 PHE A 32 0.515 -1.650 -2.748 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.525 0.791 -1.953 1.00 0.00 C ATOM 427 CE2 PHE A 32 1.182 -1.539 -1.542 1.00 0.00 C ATOM 428 CZ PHE A 32 1.689 -0.317 -1.145 1.00 0.00 C ATOM 0 H PHE A 32 2.398 -1.737 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.060 -1.289 -6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.922 0.256 -5.072 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.124 -1.463 -4.797 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.733 1.544 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.122 -2.608 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.919 1.748 -1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.306 -2.407 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.213 -0.228 -0.205 1.00 0.00 H new ATOM 438 N THR A 33 0.681 1.115 -7.297 1.00 0.00 N ATOM 439 CA THR A 33 1.299 2.352 -7.755 1.00 0.00 C ATOM 440 C THR A 33 0.991 3.505 -6.806 1.00 0.00 C ATOM 441 O THR A 33 -0.169 3.761 -6.481 1.00 0.00 O ATOM 442 CB THR A 33 0.824 2.727 -9.171 1.00 0.00 C ATOM 443 OG1 THR A 33 0.963 1.604 -10.048 1.00 0.00 O ATOM 444 CG2 THR A 33 1.620 3.904 -9.716 1.00 0.00 C ATOM 0 H THR A 33 -0.251 0.945 -7.675 1.00 0.00 H new ATOM 0 HA THR A 33 2.375 2.179 -7.775 1.00 0.00 H new ATOM 0 HB THR A 33 -0.226 3.015 -9.113 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.657 1.850 -10.946 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.266 4.150 -10.717 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.488 4.766 -9.062 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.677 3.640 -9.759 1.00 0.00 H new ATOM 452 N VAL A 34 2.036 4.198 -6.365 1.00 0.00 N ATOM 453 CA VAL A 34 1.876 5.325 -5.454 1.00 0.00 C ATOM 454 C VAL A 34 2.445 6.604 -6.057 1.00 0.00 C ATOM 455 O VAL A 34 3.661 6.774 -6.147 1.00 0.00 O ATOM 456 CB VAL A 34 2.565 5.057 -4.103 1.00 0.00 C ATOM 457 CG1 VAL A 34 2.399 6.249 -3.173 1.00 0.00 C ATOM 458 CG2 VAL A 34 2.012 3.792 -3.465 1.00 0.00 C ATOM 0 H VAL A 34 3.002 3.999 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 34 0.806 5.449 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 34 3.630 4.911 -4.281 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.892 6.041 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.847 7.132 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.338 6.430 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.510 3.618 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.941 3.906 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.188 2.944 -4.127 1.00 0.00 H new ATOM 468 N VAL A 35 1.557 7.503 -6.470 1.00 0.00 N ATOM 469 CA VAL A 35 1.970 8.769 -7.064 1.00 0.00 C ATOM 470 C VAL A 35 2.160 9.841 -5.997 1.00 0.00 C ATOM 471 O VAL A 35 1.258 10.110 -5.203 1.00 0.00 O ATOM 472 CB VAL A 35 0.942 9.266 -8.098 1.00 0.00 C ATOM 473 CG1 VAL A 35 1.376 10.602 -8.683 1.00 0.00 C ATOM 474 CG2 VAL A 35 0.749 8.231 -9.196 1.00 0.00 C ATOM 0 H VAL A 35 0.547 7.378 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 35 2.920 8.588 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.014 9.411 -7.594 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.638 10.937 -9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.459 11.339 -7.884 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.343 10.488 -9.173 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.020 8.598 -9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.699 8.053 -9.699 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.390 7.299 -8.759 1.00 0.00 H new ATOM 484 N THR A 36 3.341 10.452 -5.983 1.00 0.00 N ATOM 485 CA THR A 36 3.650 11.495 -5.013 1.00 0.00 C ATOM 486 C THR A 36 4.111 12.772 -5.706 1.00 0.00 C ATOM 487 O THR A 36 5.086 13.398 -5.292 1.00 0.00 O ATOM 488 CB THR A 36 4.741 11.038 -4.026 1.00 0.00 C ATOM 489 OG1 THR A 36 6.002 10.945 -4.699 1.00 0.00 O ATOM 490 CG2 THR A 36 4.387 9.692 -3.413 1.00 0.00 C ATOM 0 H THR A 36 4.099 10.242 -6.633 1.00 0.00 H new ATOM 0 HA THR A 36 2.731 11.696 -4.462 1.00 0.00 H new ATOM 0 HB THR A 36 4.809 11.776 -3.227 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.322 11.845 -4.919 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.172 9.390 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.441 9.774 -2.877 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.294 8.946 -4.202 1.00 0.00 H new ATOM 579 N LEU A 44 7.977 8.785 2.593 1.00 0.00 N ATOM 580 CA LEU A 44 6.799 7.948 2.390 1.00 0.00 C ATOM 581 C LEU A 44 6.875 6.685 3.241 1.00 0.00 C ATOM 582 O LEU A 44 7.758 5.849 3.052 1.00 0.00 O ATOM 583 CB LEU A 44 6.663 7.575 0.913 1.00 0.00 C ATOM 584 CG LEU A 44 5.422 6.763 0.538 1.00 0.00 C ATOM 585 CD1 LEU A 44 4.172 7.623 0.637 1.00 0.00 C ATOM 586 CD2 LEU A 44 5.565 6.188 -0.863 1.00 0.00 C ATOM 0 HA LEU A 44 5.922 8.517 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.663 8.493 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.546 7.008 0.619 1.00 0.00 H new ATOM 0 HG LEU A 44 5.326 5.936 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.299 7.029 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.061 7.987 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.259 8.471 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.673 5.613 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.686 7.001 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.439 5.537 -0.902 1.00 0.00 H new ATOM 598 N GLY A 45 5.941 6.551 4.178 1.00 0.00 N ATOM 599 CA GLY A 45 5.919 5.386 5.043 1.00 0.00 C ATOM 600 C GLY A 45 4.763 4.456 4.733 1.00 0.00 C ATOM 601 O GLY A 45 3.618 4.739 5.086 1.00 0.00 O ATOM 0 H GLY A 45 5.199 7.229 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.857 4.842 4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.853 5.710 6.082 1.00 0.00 H new ATOM 605 N ILE A 46 5.062 3.344 4.070 1.00 0.00 N ATOM 606 CA ILE A 46 4.039 2.370 3.712 1.00 0.00 C ATOM 607 C ILE A 46 4.209 1.077 4.503 1.00 0.00 C ATOM 608 O ILE A 46 5.247 0.419 4.423 1.00 0.00 O ATOM 609 CB ILE A 46 4.072 2.045 2.206 1.00 0.00 C ATOM 610 CG1 ILE A 46 3.921 3.326 1.383 1.00 0.00 C ATOM 611 CG2 ILE A 46 2.977 1.050 1.854 1.00 0.00 C ATOM 612 CD1 ILE A 46 4.059 3.106 -0.107 1.00 0.00 C ATOM 0 H ILE A 46 6.005 3.095 3.770 1.00 0.00 H new ATOM 0 HA ILE A 46 3.077 2.820 3.957 1.00 0.00 H new ATOM 0 HB ILE A 46 5.035 1.593 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.946 3.767 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.672 4.047 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.014 0.831 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.126 0.130 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.005 1.475 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.941 4.056 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.044 2.693 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.292 2.409 -0.445 1.00 0.00 H new ATOM 624 N THR A 47 3.182 0.717 5.266 1.00 0.00 N ATOM 625 CA THR A 47 3.217 -0.497 6.071 1.00 0.00 C ATOM 626 C THR A 47 1.923 -1.290 5.927 1.00 0.00 C ATOM 627 O THR A 47 0.902 -0.757 5.494 1.00 0.00 O ATOM 628 CB THR A 47 3.447 -0.177 7.560 1.00 0.00 C ATOM 629 OG1 THR A 47 2.562 0.867 7.979 1.00 0.00 O ATOM 630 CG2 THR A 47 4.888 0.243 7.807 1.00 0.00 C ATOM 0 H THR A 47 2.315 1.249 5.343 1.00 0.00 H new ATOM 0 HA THR A 47 4.050 -1.096 5.703 1.00 0.00 H new ATOM 0 HB THR A 47 3.244 -1.078 8.138 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.713 1.063 8.927 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.026 0.464 8.865 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.558 -0.566 7.515 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.114 1.132 7.218 1.00 0.00 H new ATOM 638 N VAL A 48 1.972 -2.567 6.295 1.00 0.00 N ATOM 639 CA VAL A 48 0.803 -3.433 6.208 1.00 0.00 C ATOM 640 C VAL A 48 0.516 -4.105 7.546 1.00 0.00 C ATOM 641 O VAL A 48 1.432 -4.558 8.232 1.00 0.00 O ATOM 642 CB VAL A 48 0.986 -4.518 5.130 1.00 0.00 C ATOM 643 CG1 VAL A 48 -0.210 -5.457 5.108 1.00 0.00 C ATOM 644 CG2 VAL A 48 1.200 -3.881 3.765 1.00 0.00 C ATOM 0 H VAL A 48 2.809 -3.024 6.656 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.040 -2.799 5.935 1.00 0.00 H new ATOM 0 HB VAL A 48 1.872 -5.104 5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.062 -6.216 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.312 -5.939 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.114 -4.889 4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.328 -4.662 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.335 -3.270 3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.092 -3.254 3.792 1.00 0.00 H new ATOM 654 N GLU A 49 -0.761 -4.165 7.911 1.00 0.00 N ATOM 655 CA GLU A 49 -1.167 -4.782 9.168 1.00 0.00 C ATOM 656 C GLU A 49 -2.263 -5.818 8.936 1.00 0.00 C ATOM 657 O GLU A 49 -3.145 -5.628 8.099 1.00 0.00 O ATOM 658 CB GLU A 49 -1.657 -3.716 10.150 1.00 0.00 C ATOM 659 CG GLU A 49 -0.540 -3.062 10.946 1.00 0.00 C ATOM 660 CD GLU A 49 -1.043 -1.968 11.867 1.00 0.00 C ATOM 661 OE1 GLU A 49 -1.555 -0.951 11.357 1.00 0.00 O ATOM 662 OE2 GLU A 49 -0.924 -2.131 13.100 1.00 0.00 O ATOM 0 H GLU A 49 -1.531 -3.794 7.355 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.299 -5.286 9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.197 -2.947 9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.367 -4.170 10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.027 -3.821 11.536 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.194 -2.643 10.258 1.00 0.00 H new ATOM 669 N GLY A 50 -2.201 -6.915 9.685 1.00 0.00 N ATOM 670 CA GLY A 50 -3.193 -7.965 9.546 1.00 0.00 C ATOM 671 C GLY A 50 -2.961 -9.113 10.509 1.00 0.00 C ATOM 672 O GLY A 50 -2.273 -8.973 11.520 1.00 0.00 O ATOM 0 H GLY A 50 -1.482 -7.095 10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.186 -7.548 9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.176 -8.343 8.524 1.00 0.00 H new ATOM 676 N PRO A 51 -3.545 -10.279 10.197 1.00 0.00 N ATOM 677 CA PRO A 51 -3.414 -11.478 11.030 1.00 0.00 C ATOM 678 C PRO A 51 -2.005 -12.061 10.989 1.00 0.00 C ATOM 679 O PRO A 51 -1.715 -13.056 11.654 1.00 0.00 O ATOM 680 CB PRO A 51 -4.415 -12.455 10.408 1.00 0.00 C ATOM 681 CG PRO A 51 -4.544 -12.012 8.991 1.00 0.00 C ATOM 682 CD PRO A 51 -4.379 -10.518 9.007 1.00 0.00 C ATOM 0 HA PRO A 51 -3.604 -11.265 12.082 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.057 -13.483 10.471 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.375 -12.420 10.923 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.785 -12.482 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.514 -12.293 8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.896 -10.157 8.099 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.340 -10.008 9.081 1.00 0.00 H new ATOM 690 N SER A 52 -1.133 -11.435 10.206 1.00 0.00 N ATOM 691 CA SER A 52 0.245 -11.894 10.076 1.00 0.00 C ATOM 692 C SER A 52 1.123 -10.810 9.457 1.00 0.00 C ATOM 693 O SER A 52 0.662 -10.018 8.635 1.00 0.00 O ATOM 694 CB SER A 52 0.304 -13.162 9.223 1.00 0.00 C ATOM 695 OG SER A 52 0.008 -12.879 7.866 1.00 0.00 O ATOM 0 H SER A 52 -1.356 -10.608 9.652 1.00 0.00 H new ATOM 0 HA SER A 52 0.623 -12.118 11.074 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.296 -13.608 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.404 -13.896 9.607 1.00 0.00 H new ATOM 0 HG SER A 52 -0.855 -12.418 7.809 1.00 0.00 H new ATOM 701 N GLU A 53 2.389 -10.782 9.859 1.00 0.00 N ATOM 702 CA GLU A 53 3.332 -9.795 9.345 1.00 0.00 C ATOM 703 C GLU A 53 3.674 -10.078 7.885 1.00 0.00 C ATOM 704 O GLU A 53 4.243 -11.121 7.561 1.00 0.00 O ATOM 705 CB GLU A 53 4.609 -9.789 10.188 1.00 0.00 C ATOM 706 CG GLU A 53 5.637 -8.769 9.728 1.00 0.00 C ATOM 707 CD GLU A 53 6.932 -8.851 10.513 1.00 0.00 C ATOM 708 OE1 GLU A 53 7.583 -9.916 10.474 1.00 0.00 O ATOM 709 OE2 GLU A 53 7.294 -7.850 11.166 1.00 0.00 O ATOM 0 H GLU A 53 2.786 -11.431 10.539 1.00 0.00 H new ATOM 0 HA GLU A 53 2.861 -8.814 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.348 -9.586 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.057 -10.782 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.848 -8.923 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.219 -7.767 9.827 1.00 0.00 H new ATOM 716 N SER A 54 3.322 -9.143 7.009 1.00 0.00 N ATOM 717 CA SER A 54 3.588 -9.293 5.583 1.00 0.00 C ATOM 718 C SER A 54 4.961 -8.733 5.224 1.00 0.00 C ATOM 719 O SER A 54 5.394 -7.720 5.773 1.00 0.00 O ATOM 720 CB SER A 54 2.506 -8.586 4.764 1.00 0.00 C ATOM 721 OG SER A 54 1.215 -9.057 5.110 1.00 0.00 O ATOM 0 H SER A 54 2.852 -8.274 7.261 1.00 0.00 H new ATOM 0 HA SER A 54 3.576 -10.357 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.562 -7.511 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.684 -8.751 3.701 1.00 0.00 H new ATOM 0 HG SER A 54 0.714 -8.341 5.554 1.00 0.00 H new ATOM 727 N LYS A 55 5.641 -9.401 4.299 1.00 0.00 N ATOM 728 CA LYS A 55 6.965 -8.971 3.863 1.00 0.00 C ATOM 729 C LYS A 55 6.865 -7.807 2.883 1.00 0.00 C ATOM 730 O LYS A 55 6.637 -8.008 1.689 1.00 0.00 O ATOM 731 CB LYS A 55 7.714 -10.137 3.213 1.00 0.00 C ATOM 732 CG LYS A 55 8.525 -10.963 4.196 1.00 0.00 C ATOM 733 CD LYS A 55 9.704 -11.639 3.516 1.00 0.00 C ATOM 734 CE LYS A 55 9.325 -13.009 2.975 1.00 0.00 C ATOM 735 NZ LYS A 55 10.520 -13.786 2.546 1.00 0.00 N ATOM 0 H LYS A 55 5.298 -10.243 3.836 1.00 0.00 H new ATOM 0 HA LYS A 55 7.518 -8.636 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.995 -10.786 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.380 -9.746 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.886 -10.322 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.885 -11.718 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.064 -11.011 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.525 -11.741 4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.786 -13.566 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.646 -12.891 2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.219 -14.713 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.021 -13.267 1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.156 -13.921 3.358 1.00 0.00 H new ATOM 749 N ILE A 56 7.037 -6.593 3.393 1.00 0.00 N ATOM 750 CA ILE A 56 6.968 -5.398 2.561 1.00 0.00 C ATOM 751 C ILE A 56 8.345 -5.024 2.022 1.00 0.00 C ATOM 752 O ILE A 56 9.360 -5.233 2.684 1.00 0.00 O ATOM 753 CB ILE A 56 6.392 -4.202 3.341 1.00 0.00 C ATOM 754 CG1 ILE A 56 4.883 -4.369 3.531 1.00 0.00 C ATOM 755 CG2 ILE A 56 6.699 -2.900 2.616 1.00 0.00 C ATOM 756 CD1 ILE A 56 4.297 -3.432 4.565 1.00 0.00 C ATOM 0 H ILE A 56 7.225 -6.410 4.379 1.00 0.00 H new ATOM 0 HA ILE A 56 6.305 -5.631 1.728 1.00 0.00 H new ATOM 0 HB ILE A 56 6.862 -4.167 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.384 -4.202 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.673 -5.398 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.285 -2.064 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.779 -2.779 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.253 -2.923 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.224 -3.606 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.769 -3.614 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.475 -2.400 4.263 1.00 0.00 H new ATOM 768 N ASN A 57 8.370 -4.467 0.815 1.00 0.00 N ATOM 769 CA ASN A 57 9.622 -4.061 0.187 1.00 0.00 C ATOM 770 C ASN A 57 9.402 -2.877 -0.749 1.00 0.00 C ATOM 771 O ASN A 57 8.776 -3.011 -1.801 1.00 0.00 O ATOM 772 CB ASN A 57 10.230 -5.232 -0.588 1.00 0.00 C ATOM 773 CG ASN A 57 10.757 -6.320 0.327 1.00 0.00 C ATOM 774 OD1 ASN A 57 11.719 -6.112 1.068 1.00 0.00 O ATOM 775 ND2 ASN A 57 10.128 -7.488 0.281 1.00 0.00 N ATOM 0 H ASN A 57 7.538 -4.287 0.253 1.00 0.00 H new ATOM 0 HA ASN A 57 10.312 -3.756 0.973 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.477 -5.654 -1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.041 -4.866 -1.217 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.437 -8.258 0.875 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.335 -7.616 -0.348 1.00 0.00 H new ATOM 782 N CYS A 58 9.922 -1.718 -0.360 1.00 0.00 N ATOM 783 CA CYS A 58 9.783 -0.509 -1.164 1.00 0.00 C ATOM 784 C CYS A 58 10.929 -0.385 -2.162 1.00 0.00 C ATOM 785 O CYS A 58 12.074 -0.714 -1.852 1.00 0.00 O ATOM 786 CB CYS A 58 9.740 0.726 -0.262 1.00 0.00 C ATOM 787 SG CYS A 58 8.079 1.180 0.290 1.00 0.00 S ATOM 0 H CYS A 58 10.444 -1.590 0.507 1.00 0.00 H new ATOM 0 HA CYS A 58 8.848 -0.577 -1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.365 0.546 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.176 1.569 -0.798 1.00 0.00 H new ATOM 0 HG CYS A 58 8.147 2.234 1.048 1.00 0.00 H new ATOM 895 N CYS A 66 6.565 5.835 -6.469 1.00 0.00 N ATOM 896 CA CYS A 66 7.134 4.893 -5.511 1.00 0.00 C ATOM 897 C CYS A 66 6.448 3.534 -5.612 1.00 0.00 C ATOM 898 O CYS A 66 5.240 3.453 -5.833 1.00 0.00 O ATOM 899 CB CYS A 66 7.004 5.439 -4.088 1.00 0.00 C ATOM 900 SG CYS A 66 8.315 4.898 -2.967 1.00 0.00 S ATOM 0 HA CYS A 66 8.190 4.765 -5.748 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.001 6.528 -4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.041 5.132 -3.679 1.00 0.00 H new ATOM 0 HG CYS A 66 8.380 5.708 -1.952 1.00 0.00 H new ATOM 906 N SER A 67 7.227 2.470 -5.451 1.00 0.00 N ATOM 907 CA SER A 67 6.696 1.114 -5.530 1.00 0.00 C ATOM 908 C SER A 67 6.816 0.405 -4.184 1.00 0.00 C ATOM 909 O SER A 67 7.825 0.530 -3.492 1.00 0.00 O ATOM 910 CB SER A 67 7.434 0.317 -6.607 1.00 0.00 C ATOM 911 OG SER A 67 7.001 -1.033 -6.628 1.00 0.00 O ATOM 0 H SER A 67 8.229 2.520 -5.265 1.00 0.00 H new ATOM 0 HA SER A 67 5.641 1.178 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.263 0.772 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.507 0.355 -6.421 1.00 0.00 H new ATOM 0 HG SER A 67 7.486 -1.521 -7.326 1.00 0.00 H new ATOM 917 N ALA A 68 5.777 -0.340 -3.821 1.00 0.00 N ATOM 918 CA ALA A 68 5.765 -1.072 -2.560 1.00 0.00 C ATOM 919 C ALA A 68 5.125 -2.445 -2.728 1.00 0.00 C ATOM 920 O ALA A 68 3.934 -2.552 -3.021 1.00 0.00 O ATOM 921 CB ALA A 68 5.032 -0.272 -1.493 1.00 0.00 C ATOM 0 H ALA A 68 4.933 -0.453 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 68 6.798 -1.219 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.030 -0.830 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.535 0.684 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.005 -0.096 -1.812 1.00 0.00 H new ATOM 927 N GLU A 69 5.922 -3.492 -2.541 1.00 0.00 N ATOM 928 CA GLU A 69 5.432 -4.859 -2.674 1.00 0.00 C ATOM 929 C GLU A 69 5.325 -5.534 -1.310 1.00 0.00 C ATOM 930 O GLU A 69 6.217 -5.406 -0.471 1.00 0.00 O ATOM 931 CB GLU A 69 6.355 -5.669 -3.586 1.00 0.00 C ATOM 932 CG GLU A 69 7.744 -5.884 -3.009 1.00 0.00 C ATOM 933 CD GLU A 69 8.738 -6.371 -4.046 1.00 0.00 C ATOM 934 OE1 GLU A 69 8.843 -5.730 -5.113 1.00 0.00 O ATOM 935 OE2 GLU A 69 9.409 -7.393 -3.792 1.00 0.00 O ATOM 0 H GLU A 69 6.910 -3.420 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 69 4.438 -4.819 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.898 -6.639 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.444 -5.158 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.103 -4.949 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.688 -6.609 -2.197 1.00 0.00 H new ATOM 942 N TYR A 70 4.228 -6.251 -1.095 1.00 0.00 N ATOM 943 CA TYR A 70 4.002 -6.944 0.168 1.00 0.00 C ATOM 944 C TYR A 70 3.498 -8.363 -0.072 1.00 0.00 C ATOM 945 O TYR A 70 2.842 -8.639 -1.077 1.00 0.00 O ATOM 946 CB TYR A 70 2.998 -6.171 1.025 1.00 0.00 C ATOM 947 CG TYR A 70 1.577 -6.253 0.514 1.00 0.00 C ATOM 948 CD1 TYR A 70 0.772 -7.345 0.813 1.00 0.00 C ATOM 949 CD2 TYR A 70 1.040 -5.237 -0.267 1.00 0.00 C ATOM 950 CE1 TYR A 70 -0.526 -7.424 0.348 1.00 0.00 C ATOM 951 CE2 TYR A 70 -0.258 -5.307 -0.735 1.00 0.00 C ATOM 952 CZ TYR A 70 -1.037 -6.403 -0.426 1.00 0.00 C ATOM 953 OH TYR A 70 -2.330 -6.477 -0.890 1.00 0.00 O ATOM 0 H TYR A 70 3.481 -6.368 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 70 4.953 -7.001 0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.031 -6.555 2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.300 -5.125 1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.168 -8.146 1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.647 -4.378 -0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.138 -8.281 0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.661 -4.508 -1.340 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.713 -5.576 -0.937 1.00 0.00 H new ATOM 963 N ILE A 71 3.808 -9.259 0.858 1.00 0.00 N ATOM 964 CA ILE A 71 3.385 -10.650 0.750 1.00 0.00 C ATOM 965 C ILE A 71 2.950 -11.200 2.104 1.00 0.00 C ATOM 966 O ILE A 71 3.768 -11.471 2.984 1.00 0.00 O ATOM 967 CB ILE A 71 4.509 -11.538 0.186 1.00 0.00 C ATOM 968 CG1 ILE A 71 4.904 -11.070 -1.217 1.00 0.00 C ATOM 969 CG2 ILE A 71 4.071 -12.995 0.160 1.00 0.00 C ATOM 970 CD1 ILE A 71 6.301 -11.484 -1.622 1.00 0.00 C ATOM 0 H ILE A 71 4.351 -9.047 1.695 1.00 0.00 H new ATOM 0 HA ILE A 71 2.538 -10.669 0.064 1.00 0.00 H new ATOM 0 HB ILE A 71 5.380 -11.452 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.192 -11.470 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.828 -9.984 -1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.877 -13.610 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.835 -13.322 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.187 -13.098 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.512 -11.118 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.023 -11.061 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.377 -12.571 -1.609 1.00 0.00 H new ATOM 982 N PRO A 72 1.631 -11.370 2.278 1.00 0.00 N ATOM 983 CA PRO A 72 1.057 -11.892 3.522 1.00 0.00 C ATOM 984 C PRO A 72 1.375 -13.368 3.733 1.00 0.00 C ATOM 985 O PRO A 72 1.911 -14.031 2.845 1.00 0.00 O ATOM 986 CB PRO A 72 -0.448 -11.691 3.329 1.00 0.00 C ATOM 987 CG PRO A 72 -0.644 -11.686 1.852 1.00 0.00 C ATOM 988 CD PRO A 72 0.598 -11.068 1.272 1.00 0.00 C ATOM 0 HA PRO A 72 1.459 -11.387 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.018 -12.491 3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.783 -10.755 3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.789 -12.698 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.530 -11.113 1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.845 -11.498 0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.482 -9.994 1.125 1.00 0.00 H new ATOM 996 N PHE A 73 1.041 -13.877 4.915 1.00 0.00 N ATOM 997 CA PHE A 73 1.292 -15.276 5.243 1.00 0.00 C ATOM 998 C PHE A 73 -0.001 -15.981 5.640 1.00 0.00 C ATOM 999 O PHE A 73 -0.055 -17.209 5.709 1.00 0.00 O ATOM 1000 CB PHE A 73 2.313 -15.380 6.377 1.00 0.00 C ATOM 1001 CG PHE A 73 3.688 -14.913 5.992 1.00 0.00 C ATOM 1002 CD1 PHE A 73 4.422 -15.594 5.035 1.00 0.00 C ATOM 1003 CD2 PHE A 73 4.245 -13.792 6.586 1.00 0.00 C ATOM 1004 CE1 PHE A 73 5.688 -15.166 4.679 1.00 0.00 C ATOM 1005 CE2 PHE A 73 5.509 -13.359 6.234 1.00 0.00 C ATOM 1006 CZ PHE A 73 6.231 -14.047 5.278 1.00 0.00 C ATOM 0 H PHE A 73 0.596 -13.342 5.661 1.00 0.00 H new ATOM 0 HA PHE A 73 1.694 -15.766 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.963 -14.792 7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.370 -16.416 6.710 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.001 -16.469 4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.684 -13.250 7.333 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.251 -15.707 3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.932 -12.484 6.705 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.219 -13.710 5.000 1.00 0.00 H new ATOM 1016 N ALA A 74 -1.041 -15.196 5.901 1.00 0.00 N ATOM 1017 CA ALA A 74 -2.334 -15.744 6.291 1.00 0.00 C ATOM 1018 C ALA A 74 -3.477 -14.909 5.724 1.00 0.00 C ATOM 1019 O ALA A 74 -3.399 -13.684 5.637 1.00 0.00 O ATOM 1020 CB ALA A 74 -2.438 -15.825 7.807 1.00 0.00 C ATOM 0 H ALA A 74 -1.013 -14.178 5.849 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.414 -16.750 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.409 -16.236 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.648 -16.470 8.192 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.332 -14.827 8.233 1.00 0.00 H new ATOM 1026 N PRO A 75 -4.565 -15.586 5.328 1.00 0.00 N ATOM 1027 CA PRO A 75 -5.746 -14.927 4.762 1.00 0.00 C ATOM 1028 C PRO A 75 -6.509 -14.114 5.802 1.00 0.00 C ATOM 1029 O PRO A 75 -6.605 -14.507 6.964 1.00 0.00 O ATOM 1030 CB PRO A 75 -6.600 -16.095 4.264 1.00 0.00 C ATOM 1031 CG PRO A 75 -6.187 -17.253 5.105 1.00 0.00 C ATOM 1032 CD PRO A 75 -4.727 -17.048 5.403 1.00 0.00 C ATOM 0 HA PRO A 75 -5.480 -14.213 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.663 -15.884 4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.424 -16.291 3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.771 -17.296 6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.350 -18.194 4.580 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.460 -17.432 6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.093 -17.560 4.679 1.00 0.00 H new ATOM 1040 N GLY A 76 -7.053 -12.977 5.376 1.00 0.00 N ATOM 1041 CA GLY A 76 -7.801 -12.127 6.283 1.00 0.00 C ATOM 1042 C GLY A 76 -7.925 -10.704 5.775 1.00 0.00 C ATOM 1043 O GLY A 76 -7.595 -10.418 4.624 1.00 0.00 O ATOM 0 H GLY A 76 -6.989 -12.630 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.797 -12.545 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.311 -12.120 7.257 1.00 0.00 H new ATOM 1047 N ASP A 77 -8.402 -9.811 6.634 1.00 0.00 N ATOM 1048 CA ASP A 77 -8.569 -8.409 6.266 1.00 0.00 C ATOM 1049 C ASP A 77 -7.348 -7.591 6.673 1.00 0.00 C ATOM 1050 O ASP A 77 -7.109 -7.363 7.860 1.00 0.00 O ATOM 1051 CB ASP A 77 -9.826 -7.834 6.921 1.00 0.00 C ATOM 1052 CG ASP A 77 -10.932 -8.863 7.055 1.00 0.00 C ATOM 1053 OD1 ASP A 77 -11.132 -9.647 6.104 1.00 0.00 O ATOM 1054 OD2 ASP A 77 -11.596 -8.884 8.112 1.00 0.00 O ATOM 0 H ASP A 77 -8.680 -10.032 7.590 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.676 -8.353 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.573 -7.446 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.187 -6.992 6.331 1.00 0.00 H new ATOM 1059 N TYR A 78 -6.579 -7.153 5.683 1.00 0.00 N ATOM 1060 CA TYR A 78 -5.380 -6.364 5.939 1.00 0.00 C ATOM 1061 C TYR A 78 -5.662 -4.874 5.767 1.00 0.00 C ATOM 1062 O TYR A 78 -6.662 -4.486 5.163 1.00 0.00 O ATOM 1063 CB TYR A 78 -4.251 -6.792 5.000 1.00 0.00 C ATOM 1064 CG TYR A 78 -3.619 -8.113 5.377 1.00 0.00 C ATOM 1065 CD1 TYR A 78 -4.329 -9.302 5.267 1.00 0.00 C ATOM 1066 CD2 TYR A 78 -2.311 -8.171 5.844 1.00 0.00 C ATOM 1067 CE1 TYR A 78 -3.755 -10.511 5.611 1.00 0.00 C ATOM 1068 CE2 TYR A 78 -1.729 -9.376 6.189 1.00 0.00 C ATOM 1069 CZ TYR A 78 -2.455 -10.543 6.071 1.00 0.00 C ATOM 1070 OH TYR A 78 -1.879 -11.744 6.415 1.00 0.00 O ATOM 0 H TYR A 78 -6.764 -7.331 4.696 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.073 -6.541 6.970 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.641 -6.862 3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.482 -6.019 4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.347 -9.281 4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.740 -7.259 5.939 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.321 -11.426 5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.711 -9.404 6.549 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.233 -12.453 5.839 1.00 0.00 H new ATOM 1080 N ASP A 79 -4.773 -4.045 6.302 1.00 0.00 N ATOM 1081 CA ASP A 79 -4.923 -2.597 6.207 1.00 0.00 C ATOM 1082 C ASP A 79 -3.603 -1.938 5.821 1.00 0.00 C ATOM 1083 O ASP A 79 -2.689 -1.828 6.639 1.00 0.00 O ATOM 1084 CB ASP A 79 -5.423 -2.027 7.535 1.00 0.00 C ATOM 1085 CG ASP A 79 -6.937 -2.011 7.625 1.00 0.00 C ATOM 1086 OD1 ASP A 79 -7.591 -1.813 6.580 1.00 0.00 O ATOM 1087 OD2 ASP A 79 -7.466 -2.198 8.740 1.00 0.00 O ATOM 0 H ASP A 79 -3.941 -4.350 6.806 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.656 -2.382 5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.019 -2.619 8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.044 -1.012 7.657 1.00 0.00 H new ATOM 1092 N VAL A 80 -3.509 -1.501 4.569 1.00 0.00 N ATOM 1093 CA VAL A 80 -2.300 -0.853 4.074 1.00 0.00 C ATOM 1094 C VAL A 80 -2.195 0.579 4.588 1.00 0.00 C ATOM 1095 O VAL A 80 -2.918 1.466 4.137 1.00 0.00 O ATOM 1096 CB VAL A 80 -2.261 -0.838 2.534 1.00 0.00 C ATOM 1097 CG1 VAL A 80 -0.949 -0.251 2.039 1.00 0.00 C ATOM 1098 CG2 VAL A 80 -2.470 -2.240 1.983 1.00 0.00 C ATOM 0 H VAL A 80 -4.256 -1.584 3.879 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.455 -1.433 4.446 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.072 -0.206 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.940 -0.249 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.846 0.771 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.119 -0.854 2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.440 -2.211 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.682 -2.897 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.439 -2.618 2.309 1.00 0.00 H new ATOM 1108 N ASN A 81 -1.288 0.796 5.535 1.00 0.00 N ATOM 1109 CA ASN A 81 -1.087 2.121 6.111 1.00 0.00 C ATOM 1110 C ASN A 81 -0.074 2.920 5.298 1.00 0.00 C ATOM 1111 O ASN A 81 1.040 2.458 5.049 1.00 0.00 O ATOM 1112 CB ASN A 81 -0.614 2.003 7.562 1.00 0.00 C ATOM 1113 CG ASN A 81 -1.677 1.415 8.470 1.00 0.00 C ATOM 1114 OD1 ASN A 81 -2.273 2.120 9.284 1.00 0.00 O ATOM 1115 ND2 ASN A 81 -1.919 0.116 8.334 1.00 0.00 N ATOM 0 H ASN A 81 -0.681 0.072 5.920 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.041 2.648 6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.279 1.379 7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -0.330 2.989 7.930 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.623 -0.335 8.918 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.401 -0.430 7.646 1.00 0.00 H new ATOM 1122 N ILE A 82 -0.468 4.121 4.887 1.00 0.00 N ATOM 1123 CA ILE A 82 0.406 4.985 4.104 1.00 0.00 C ATOM 1124 C ILE A 82 0.400 6.410 4.646 1.00 0.00 C ATOM 1125 O ILE A 82 -0.641 7.067 4.685 1.00 0.00 O ATOM 1126 CB ILE A 82 -0.008 5.010 2.621 1.00 0.00 C ATOM 1127 CG1 ILE A 82 -0.157 3.584 2.086 1.00 0.00 C ATOM 1128 CG2 ILE A 82 1.010 5.786 1.799 1.00 0.00 C ATOM 1129 CD1 ILE A 82 -1.104 3.474 0.912 1.00 0.00 C ATOM 0 H ILE A 82 -1.387 4.517 5.084 1.00 0.00 H new ATOM 0 HA ILE A 82 1.412 4.572 4.185 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.972 5.512 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.823 3.213 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.511 2.938 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.703 5.794 0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.071 6.810 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.987 5.310 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.160 2.435 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.095 3.814 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.740 4.093 0.092 1.00 0.00 H new ATOM 1141 N THR A 83 1.570 6.885 5.062 1.00 0.00 N ATOM 1142 CA THR A 83 1.700 8.232 5.601 1.00 0.00 C ATOM 1143 C THR A 83 2.882 8.963 4.974 1.00 0.00 C ATOM 1144 O THR A 83 3.960 8.393 4.808 1.00 0.00 O ATOM 1145 CB THR A 83 1.878 8.211 7.131 1.00 0.00 C ATOM 1146 OG1 THR A 83 2.978 7.365 7.485 1.00 0.00 O ATOM 1147 CG2 THR A 83 0.612 7.718 7.816 1.00 0.00 C ATOM 0 H THR A 83 2.441 6.356 5.036 1.00 0.00 H new ATOM 0 HA THR A 83 0.778 8.760 5.357 1.00 0.00 H new ATOM 0 HB THR A 83 2.081 9.229 7.465 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.085 7.359 8.459 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.761 7.712 8.896 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.217 8.381 7.568 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.384 6.708 7.475 1.00 0.00 H new ATOM 1155 N TYR A 84 2.673 10.229 4.630 1.00 0.00 N ATOM 1156 CA TYR A 84 3.721 11.038 4.019 1.00 0.00 C ATOM 1157 C TYR A 84 4.339 11.989 5.040 1.00 0.00 C ATOM 1158 O TYR A 84 3.760 13.021 5.374 1.00 0.00 O ATOM 1159 CB TYR A 84 3.159 11.833 2.840 1.00 0.00 C ATOM 1160 CG TYR A 84 4.217 12.303 1.867 1.00 0.00 C ATOM 1161 CD1 TYR A 84 5.188 11.430 1.392 1.00 0.00 C ATOM 1162 CD2 TYR A 84 4.247 13.620 1.424 1.00 0.00 C ATOM 1163 CE1 TYR A 84 6.157 11.855 0.504 1.00 0.00 C ATOM 1164 CE2 TYR A 84 5.211 14.053 0.535 1.00 0.00 C ATOM 1165 CZ TYR A 84 6.164 13.167 0.078 1.00 0.00 C ATOM 1166 OH TYR A 84 7.127 13.595 -0.807 1.00 0.00 O ATOM 0 H TYR A 84 1.787 10.717 4.764 1.00 0.00 H new ATOM 0 HA TYR A 84 4.499 10.366 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.436 11.215 2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.618 12.699 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 84 5.185 10.402 1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.503 14.317 1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 84 6.905 11.164 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.219 15.080 0.200 1.00 0.00 H new ATOM 0 HH TYR A 84 6.989 14.545 -1.006 1.00 0.00 H new ATOM 1176 N GLY A 85 5.522 11.632 5.531 1.00 0.00 N ATOM 1177 CA GLY A 85 6.201 12.463 6.508 1.00 0.00 C ATOM 1178 C GLY A 85 5.641 12.289 7.906 1.00 0.00 C ATOM 1179 O GLY A 85 6.320 11.778 8.795 1.00 0.00 O ATOM 0 H GLY A 85 6.022 10.782 5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.263 12.219 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.115 13.509 6.213 1.00 0.00 H new ATOM 1183 N GLY A 86 4.398 12.719 8.102 1.00 0.00 N ATOM 1184 CA GLY A 86 3.769 12.602 9.404 1.00 0.00 C ATOM 1185 C GLY A 86 2.259 12.712 9.330 1.00 0.00 C ATOM 1186 O GLY A 86 1.600 12.988 10.333 1.00 0.00 O ATOM 0 H GLY A 86 3.816 13.146 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.039 11.645 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.155 13.380 10.062 1.00 0.00 H new ATOM 1190 N ALA A 87 1.709 12.498 8.140 1.00 0.00 N ATOM 1191 CA ALA A 87 0.267 12.574 7.939 1.00 0.00 C ATOM 1192 C ALA A 87 -0.253 11.339 7.211 1.00 0.00 C ATOM 1193 O ALA A 87 0.513 10.612 6.578 1.00 0.00 O ATOM 1194 CB ALA A 87 -0.093 13.835 7.167 1.00 0.00 C ATOM 0 H ALA A 87 2.240 12.270 7.300 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.209 12.613 8.919 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.173 13.878 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.234 14.711 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.401 13.820 6.196 1.00 0.00 H new ATOM 1200 N HIS A 88 -1.558 11.107 7.307 1.00 0.00 N ATOM 1201 CA HIS A 88 -2.180 9.958 6.657 1.00 0.00 C ATOM 1202 C HIS A 88 -2.884 10.378 5.370 1.00 0.00 C ATOM 1203 O HIS A 88 -3.743 11.259 5.381 1.00 0.00 O ATOM 1204 CB HIS A 88 -3.177 9.288 7.603 1.00 0.00 C ATOM 1205 CG HIS A 88 -2.559 8.250 8.488 1.00 0.00 C ATOM 1206 ND1 HIS A 88 -2.500 6.914 8.152 1.00 0.00 N ATOM 1207 CD2 HIS A 88 -1.969 8.358 9.701 1.00 0.00 C ATOM 1208 CE1 HIS A 88 -1.902 6.245 9.122 1.00 0.00 C ATOM 1209 NE2 HIS A 88 -1.570 7.098 10.074 1.00 0.00 N ATOM 0 H HIS A 88 -2.205 11.699 7.828 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.395 9.245 6.405 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.645 10.052 8.224 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.970 8.826 7.014 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.837 9.266 10.270 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.716 5.181 9.134 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.095 6.860 10.944 1.00 0.00 H new ATOM 1218 N ILE A 89 -2.513 9.741 4.264 1.00 0.00 N ATOM 1219 CA ILE A 89 -3.110 10.048 2.971 1.00 0.00 C ATOM 1220 C ILE A 89 -4.588 9.673 2.944 1.00 0.00 C ATOM 1221 O ILE A 89 -5.034 8.757 3.634 1.00 0.00 O ATOM 1222 CB ILE A 89 -2.385 9.314 1.828 1.00 0.00 C ATOM 1223 CG1 ILE A 89 -2.599 7.803 1.946 1.00 0.00 C ATOM 1224 CG2 ILE A 89 -0.900 9.647 1.842 1.00 0.00 C ATOM 1225 CD1 ILE A 89 -2.375 7.058 0.649 1.00 0.00 C ATOM 0 H ILE A 89 -1.802 9.010 4.238 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.008 11.123 2.824 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.803 9.648 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.924 7.407 2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.615 7.614 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.401 9.121 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.767 10.721 1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.467 9.338 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.544 5.993 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.068 7.427 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.351 7.216 0.311 1.00 0.00 H new ATOM 1237 N PRO A 90 -5.367 10.397 2.126 1.00 0.00 N ATOM 1238 CA PRO A 90 -6.806 10.158 1.987 1.00 0.00 C ATOM 1239 C PRO A 90 -7.109 8.845 1.273 1.00 0.00 C ATOM 1240 O PRO A 90 -7.079 8.774 0.046 1.00 0.00 O ATOM 1241 CB PRO A 90 -7.284 11.346 1.148 1.00 0.00 C ATOM 1242 CG PRO A 90 -6.082 11.776 0.382 1.00 0.00 C ATOM 1243 CD PRO A 90 -4.903 11.505 1.275 1.00 0.00 C ATOM 0 HA PRO A 90 -7.301 10.076 2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.097 11.058 0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.660 12.151 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.998 11.224 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.141 12.833 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.019 11.227 0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.637 12.381 1.866 1.00 0.00 H new ATOM 1251 N GLY A 91 -7.402 7.807 2.051 1.00 0.00 N ATOM 1252 CA GLY A 91 -7.707 6.511 1.475 1.00 0.00 C ATOM 1253 C GLY A 91 -7.187 5.364 2.319 1.00 0.00 C ATOM 1254 O GLY A 91 -7.547 4.208 2.098 1.00 0.00 O ATOM 0 H GLY A 91 -7.433 7.841 3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.786 6.413 1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.273 6.449 0.477 1.00 0.00 H new ATOM 1258 N SER A 92 -6.335 5.684 3.289 1.00 0.00 N ATOM 1259 CA SER A 92 -5.760 4.671 4.166 1.00 0.00 C ATOM 1260 C SER A 92 -6.374 4.748 5.560 1.00 0.00 C ATOM 1261 O SER A 92 -6.841 5.797 6.004 1.00 0.00 O ATOM 1262 CB SER A 92 -4.243 4.844 4.254 1.00 0.00 C ATOM 1263 OG SER A 92 -3.758 4.454 5.527 1.00 0.00 O ATOM 0 H SER A 92 -6.028 6.636 3.487 1.00 0.00 H new ATOM 0 HA SER A 92 -5.983 3.691 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.760 4.248 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.981 5.885 4.065 1.00 0.00 H new ATOM 0 HG SER A 92 -3.181 5.159 5.887 1.00 0.00 H new ATOM 1269 N PRO A 93 -6.374 3.609 6.269 1.00 0.00 N ATOM 1270 CA PRO A 93 -5.822 2.354 5.751 1.00 0.00 C ATOM 1271 C PRO A 93 -6.669 1.768 4.627 1.00 0.00 C ATOM 1272 O PRO A 93 -7.892 1.909 4.619 1.00 0.00 O ATOM 1273 CB PRO A 93 -5.839 1.429 6.971 1.00 0.00 C ATOM 1274 CG PRO A 93 -6.920 1.971 7.842 1.00 0.00 C ATOM 1275 CD PRO A 93 -6.914 3.459 7.631 1.00 0.00 C ATOM 0 HA PRO A 93 -4.832 2.493 5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.042 0.398 6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.877 1.433 7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.887 1.543 7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.739 1.724 8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.916 3.881 7.715 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.292 3.967 8.368 1.00 0.00 H new ATOM 1283 N PHE A 94 -6.011 1.111 3.678 1.00 0.00 N ATOM 1284 CA PHE A 94 -6.704 0.504 2.547 1.00 0.00 C ATOM 1285 C PHE A 94 -6.997 -0.969 2.816 1.00 0.00 C ATOM 1286 O PHE A 94 -6.095 -1.806 2.800 1.00 0.00 O ATOM 1287 CB PHE A 94 -5.867 0.644 1.274 1.00 0.00 C ATOM 1288 CG PHE A 94 -5.681 2.068 0.833 1.00 0.00 C ATOM 1289 CD1 PHE A 94 -4.703 2.863 1.410 1.00 0.00 C ATOM 1290 CD2 PHE A 94 -6.482 2.611 -0.158 1.00 0.00 C ATOM 1291 CE1 PHE A 94 -4.530 4.174 1.006 1.00 0.00 C ATOM 1292 CE2 PHE A 94 -6.314 3.921 -0.565 1.00 0.00 C ATOM 1293 CZ PHE A 94 -5.335 4.703 0.017 1.00 0.00 C ATOM 0 H PHE A 94 -4.999 0.985 3.669 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.651 1.026 2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.889 0.193 1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.345 0.083 0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.069 2.454 2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.247 2.003 -0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.765 4.784 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.947 4.333 -1.337 1.00 0.00 H new ATOM 0 HZ PHE A 94 -5.200 5.726 -0.301 1.00 0.00 H new ATOM 1303 N ARG A 95 -8.266 -1.278 3.065 1.00 0.00 N ATOM 1304 CA ARG A 95 -8.679 -2.648 3.339 1.00 0.00 C ATOM 1305 C ARG A 95 -8.550 -3.516 2.090 1.00 0.00 C ATOM 1306 O ARG A 95 -9.077 -3.180 1.030 1.00 0.00 O ATOM 1307 CB ARG A 95 -10.123 -2.677 3.845 1.00 0.00 C ATOM 1308 CG ARG A 95 -10.418 -3.839 4.779 1.00 0.00 C ATOM 1309 CD ARG A 95 -10.252 -5.176 4.074 1.00 0.00 C ATOM 1310 NE ARG A 95 -10.916 -5.196 2.773 1.00 0.00 N ATOM 1311 CZ ARG A 95 -12.224 -5.365 2.618 1.00 0.00 C ATOM 1312 NH1 ARG A 95 -13.005 -5.529 3.677 1.00 0.00 N ATOM 1313 NH2 ARG A 95 -12.754 -5.371 1.402 1.00 0.00 N ATOM 0 H ARG A 95 -9.025 -0.597 3.082 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.022 -3.051 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.336 -1.742 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.798 -2.729 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.750 -3.795 5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.435 -3.751 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.191 -5.387 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.659 -5.969 4.701 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.344 -5.073 1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.601 -5.526 4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.009 -5.659 3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.157 -5.246 0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.759 -5.501 1.284 1.00 0.00 H new ATOM 1327 N VAL A 96 -7.843 -4.634 2.224 1.00 0.00 N ATOM 1328 CA VAL A 96 -7.644 -5.550 1.107 1.00 0.00 C ATOM 1329 C VAL A 96 -7.980 -6.983 1.505 1.00 0.00 C ATOM 1330 O VAL A 96 -7.394 -7.552 2.426 1.00 0.00 O ATOM 1331 CB VAL A 96 -6.193 -5.500 0.591 1.00 0.00 C ATOM 1332 CG1 VAL A 96 -6.073 -6.231 -0.737 1.00 0.00 C ATOM 1333 CG2 VAL A 96 -5.725 -4.058 0.460 1.00 0.00 C ATOM 0 H VAL A 96 -7.399 -4.927 3.094 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.316 -5.229 0.311 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.550 -6.003 1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.041 -6.185 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.366 -7.273 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.726 -5.760 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.698 -4.040 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.369 -3.529 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.772 -3.570 1.434 1.00 0.00 H new ATOM 1343 N PRO A 97 -8.948 -7.582 0.795 1.00 0.00 N ATOM 1344 CA PRO A 97 -9.384 -8.958 1.055 1.00 0.00 C ATOM 1345 C PRO A 97 -8.326 -9.985 0.666 1.00 0.00 C ATOM 1346 O PRO A 97 -8.207 -10.357 -0.501 1.00 0.00 O ATOM 1347 CB PRO A 97 -10.626 -9.109 0.173 1.00 0.00 C ATOM 1348 CG PRO A 97 -10.432 -8.121 -0.926 1.00 0.00 C ATOM 1349 CD PRO A 97 -9.689 -6.964 -0.317 1.00 0.00 C ATOM 0 HA PRO A 97 -9.573 -9.132 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -10.714 -10.123 -0.217 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -11.538 -8.903 0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.866 -8.558 -1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.390 -7.798 -1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.017 -6.495 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.370 -6.190 0.035 1.00 0.00 H new ATOM 1357 N VAL A 98 -7.560 -10.441 1.652 1.00 0.00 N ATOM 1358 CA VAL A 98 -6.512 -11.426 1.413 1.00 0.00 C ATOM 1359 C VAL A 98 -7.070 -12.844 1.466 1.00 0.00 C ATOM 1360 O VAL A 98 -7.378 -13.363 2.539 1.00 0.00 O ATOM 1361 CB VAL A 98 -5.373 -11.296 2.442 1.00 0.00 C ATOM 1362 CG1 VAL A 98 -4.357 -12.413 2.258 1.00 0.00 C ATOM 1363 CG2 VAL A 98 -4.707 -9.933 2.328 1.00 0.00 C ATOM 0 H VAL A 98 -7.646 -10.144 2.624 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.115 -11.231 0.417 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.797 -11.385 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.560 -12.305 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.847 -13.377 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.935 -12.359 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.905 -9.858 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.295 -9.812 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.444 -9.151 2.514 1.00 0.00 H new ATOM 1373 N LYS A 99 -7.198 -13.468 0.299 1.00 0.00 N ATOM 1374 CA LYS A 99 -7.717 -14.827 0.210 1.00 0.00 C ATOM 1375 C LYS A 99 -6.579 -15.842 0.169 1.00 0.00 C ATOM 1376 O LYS A 99 -5.411 -15.475 0.045 1.00 0.00 O ATOM 1377 CB LYS A 99 -8.596 -14.979 -1.033 1.00 0.00 C ATOM 1378 CG LYS A 99 -9.631 -13.878 -1.185 1.00 0.00 C ATOM 1379 CD LYS A 99 -10.112 -13.759 -2.621 1.00 0.00 C ATOM 1380 CE LYS A 99 -11.459 -13.058 -2.702 1.00 0.00 C ATOM 1381 NZ LYS A 99 -11.764 -12.599 -4.085 1.00 0.00 N ATOM 0 H LYS A 99 -6.949 -13.053 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.319 -15.018 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.960 -14.993 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.105 -15.942 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.479 -14.082 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.203 -12.928 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.378 -13.207 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.191 -14.752 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.242 -13.736 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.464 -12.203 -2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.783 -12.409 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.232 -11.729 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.491 -13.338 -4.764 1.00 0.00 H new