USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 963 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 57 THR OG1 : rot -150:sc= 0 USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.0031) USER MOD Set 2.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -4.19 K(o=-4.2,f=-5.7) USER MOD Single : A 28 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.5!) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= -0.0333 (180deg=-0.392) USER MOD Single : A 35 TYR OH : rot 87:sc= -2.54! USER MOD Single : A 36 THR OG1 : rot -140:sc= 0.0334 USER MOD Single : A 38 MET CE :methyl 156:sc= -0.764 (180deg=-2.35!) USER MOD Single : A 41 TYR OH : rot -140:sc= 0.96 USER MOD Single : A 43 SER OG : rot -110:sc= 1.49 USER MOD Single : A 44 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.11 K(o=-3.1,f=-4.7!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -121:sc= -0.305 (180deg=-2.39) USER MOD Single : A 54 SER OG : rot 108:sc= 0.724! USER MOD Single : A 58 SER OG : rot 92:sc= -0.714 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 63 HIS : no HE2:sc= -3.31 K(o=-3.3,f=-3.9!) USER MOD Single : A 65 THR OG1 : rot 34:sc= 1.25 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0538 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 150:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.6!) USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= -2.83 (180deg=-5.55!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -112:sc= -2.02 (180deg=-2.58) USER MOD Single : A 97 TYR OH : rot -29:sc= 1.22 USER MOD Single : A 98 SER OG : rot -100:sc= -5.1! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -147:sc= 1.27 (180deg=-0.876) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 138:sc= -0.538 (180deg=-2.68!) USER MOD Single : A 120 THR OG1 : rot -35:sc= 1.06 USER MOD Single : A 124 HIS : no HD1:sc= 0.35 K(o=0.35,f=-1.8!) USER MOD Single : A 130 LYS NZ :NH3+ -132:sc= -0.0498 (180deg=-0.408) USER MOD Single : A 134 SER OG : rot 170:sc= -1.91 USER MOD Single : A 135 LYS NZ :NH3+ 158:sc= -0.646 (180deg=-1.39) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.447 -4.391 8.156 1.00 0.00 N ATOM 107 CA PRO A 9 3.301 -4.603 7.208 1.00 0.00 C ATOM 108 C PRO A 9 2.461 -5.813 7.598 1.00 0.00 C ATOM 109 O PRO A 9 2.979 -6.786 8.156 1.00 0.00 O ATOM 110 CB PRO A 9 3.982 -4.829 5.849 1.00 0.00 C ATOM 111 CG PRO A 9 5.334 -4.218 5.990 1.00 0.00 C ATOM 112 CD PRO A 9 5.746 -4.465 7.432 1.00 0.00 C ATOM 0 HA PRO A 9 2.611 -3.759 7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.051 -5.891 5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.419 -4.360 5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.043 -4.671 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.307 -3.151 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.225 -5.436 7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.452 -3.714 7.787 1.00 0.00 H new ATOM 120 N THR A 10 1.163 -5.739 7.306 1.00 0.00 N ATOM 121 CA THR A 10 0.233 -6.819 7.625 1.00 0.00 C ATOM 122 C THR A 10 -0.270 -7.476 6.333 1.00 0.00 C ATOM 123 O THR A 10 -0.713 -6.786 5.408 1.00 0.00 O ATOM 124 CB THR A 10 -0.949 -6.253 8.442 1.00 0.00 C ATOM 125 OG1 THR A 10 -0.447 -5.649 9.627 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.925 -7.376 8.829 1.00 0.00 C ATOM 0 H THR A 10 0.731 -4.937 6.847 1.00 0.00 H new ATOM 0 HA THR A 10 0.743 -7.577 8.219 1.00 0.00 H new ATOM 0 HB THR A 10 -1.477 -5.519 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.192 -5.286 10.150 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.751 -6.958 9.404 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.313 -7.848 7.926 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.403 -8.120 9.431 1.00 0.00 H new ATOM 134 N THR A 11 -0.180 -8.813 6.278 1.00 0.00 N ATOM 135 CA THR A 11 -0.612 -9.569 5.098 1.00 0.00 C ATOM 136 C THR A 11 -1.830 -10.437 5.438 1.00 0.00 C ATOM 137 O THR A 11 -1.779 -11.260 6.356 1.00 0.00 O ATOM 138 CB THR A 11 0.555 -10.448 4.588 1.00 0.00 C ATOM 139 OG1 THR A 11 1.666 -9.615 4.284 1.00 0.00 O ATOM 140 CG2 THR A 11 0.139 -11.208 3.315 1.00 0.00 C ATOM 0 H THR A 11 0.187 -9.390 7.035 1.00 0.00 H new ATOM 0 HA THR A 11 -0.899 -8.871 4.312 1.00 0.00 H new ATOM 0 HB THR A 11 0.819 -11.168 5.363 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.410 -10.166 3.962 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.971 -11.821 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.716 -11.847 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.133 -10.494 2.538 1.00 0.00 H new ATOM 148 N VAL A 12 -2.920 -10.241 4.682 1.00 0.00 N ATOM 149 CA VAL A 12 -4.157 -11.007 4.892 1.00 0.00 C ATOM 150 C VAL A 12 -4.666 -11.596 3.562 1.00 0.00 C ATOM 151 O VAL A 12 -4.807 -10.878 2.573 1.00 0.00 O ATOM 152 CB VAL A 12 -5.243 -10.105 5.546 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.543 -10.899 5.776 1.00 0.00 C ATOM 154 CG2 VAL A 12 -4.733 -9.584 6.898 1.00 0.00 C ATOM 0 H VAL A 12 -2.970 -9.562 3.923 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.942 -11.835 5.567 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.448 -9.271 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.289 -10.250 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.919 -11.267 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.342 -11.743 6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.495 -8.952 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.518 -10.427 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.824 -9.003 6.744 1.00 0.00 H new ATOM 164 N ALA A 13 -4.960 -12.900 3.566 1.00 0.00 N ATOM 165 CA ALA A 13 -5.478 -13.583 2.374 1.00 0.00 C ATOM 166 C ALA A 13 -6.984 -13.800 2.500 1.00 0.00 C ATOM 167 O ALA A 13 -7.500 -13.954 3.613 1.00 0.00 O ATOM 168 CB ALA A 13 -4.774 -14.928 2.188 1.00 0.00 C ATOM 0 H ALA A 13 -4.849 -13.504 4.380 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.283 -12.956 1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.167 -15.425 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.703 -14.765 2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.950 -15.555 3.062 1.00 0.00 H new ATOM 174 N PHE A 14 -7.693 -13.809 1.355 1.00 0.00 N ATOM 175 CA PHE A 14 -9.145 -14.008 1.363 1.00 0.00 C ATOM 176 C PHE A 14 -9.606 -14.787 0.131 1.00 0.00 C ATOM 177 O PHE A 14 -8.883 -14.871 -0.869 1.00 0.00 O ATOM 178 CB PHE A 14 -9.881 -12.648 1.471 1.00 0.00 C ATOM 179 CG PHE A 14 -9.646 -11.799 0.231 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.557 -11.852 -0.831 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.524 -10.965 0.149 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.348 -11.071 -1.973 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.317 -10.183 -0.998 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.230 -10.238 -2.056 1.00 0.00 C ATOM 0 H PHE A 14 -7.286 -13.682 0.428 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.399 -14.603 2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.950 -12.819 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.533 -12.112 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.422 -12.496 -0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.820 -10.924 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.052 -11.112 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.453 -9.539 -1.064 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.070 -9.636 -2.938 1.00 0.00 H new ATOM 194 N ASP A 15 -10.804 -15.370 0.226 1.00 0.00 N ATOM 195 CA ASP A 15 -11.360 -16.166 -0.863 1.00 0.00 C ATOM 196 C ASP A 15 -12.400 -15.383 -1.650 1.00 0.00 C ATOM 197 O ASP A 15 -13.384 -14.897 -1.083 1.00 0.00 O ATOM 198 CB ASP A 15 -12.001 -17.443 -0.309 1.00 0.00 C ATOM 199 CG ASP A 15 -10.977 -18.233 0.500 1.00 0.00 C ATOM 200 OD1 ASP A 15 -10.900 -18.012 1.698 1.00 0.00 O ATOM 201 OD2 ASP A 15 -10.285 -19.047 -0.090 1.00 0.00 O ATOM 0 H ASP A 15 -11.405 -15.304 1.047 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.541 -16.424 -1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.854 -17.188 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.379 -18.055 -1.128 1.00 0.00 H new ATOM 206 N VAL A 16 -12.214 -15.337 -2.972 1.00 0.00 N ATOM 207 CA VAL A 16 -13.173 -14.698 -3.862 1.00 0.00 C ATOM 208 C VAL A 16 -14.114 -15.773 -4.393 1.00 0.00 C ATOM 209 O VAL A 16 -13.705 -16.646 -5.166 1.00 0.00 O ATOM 210 CB VAL A 16 -12.441 -13.982 -5.030 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.457 -13.319 -5.976 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.515 -12.897 -4.467 1.00 0.00 C ATOM 0 H VAL A 16 -11.404 -15.737 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.741 -13.941 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.863 -14.724 -5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.927 -12.822 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.121 -14.079 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.044 -12.585 -5.423 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.002 -12.395 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.104 -12.170 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.780 -13.354 -3.804 1.00 0.00 H new ATOM 222 N ARG A 17 -15.360 -15.725 -3.934 1.00 0.00 N ATOM 223 CA ARG A 17 -16.365 -16.714 -4.311 1.00 0.00 C ATOM 224 C ARG A 17 -17.426 -16.078 -5.245 1.00 0.00 C ATOM 225 O ARG A 17 -18.157 -15.183 -4.811 1.00 0.00 O ATOM 226 CB ARG A 17 -17.029 -17.284 -3.046 1.00 0.00 C ATOM 227 CG ARG A 17 -15.958 -17.986 -2.181 1.00 0.00 C ATOM 228 CD ARG A 17 -16.547 -18.370 -0.819 1.00 0.00 C ATOM 229 NE ARG A 17 -17.692 -19.291 -0.982 1.00 0.00 N ATOM 230 CZ ARG A 17 -17.552 -20.636 -1.121 1.00 0.00 C ATOM 231 NH1 ARG A 17 -16.362 -21.204 -1.108 1.00 0.00 N ATOM 232 NH2 ARG A 17 -18.615 -21.379 -1.268 1.00 0.00 N ATOM 0 H ARG A 17 -15.700 -15.006 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.881 -17.527 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.504 -16.484 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.813 -17.990 -3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.594 -18.877 -2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.102 -17.326 -2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.779 -18.842 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.869 -17.472 -0.291 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.633 -18.898 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.525 -20.632 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.278 -22.215 -1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.540 -20.949 -1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.521 -22.389 -1.373 1.00 0.00 H new ATOM 246 N PRO A 18 -17.500 -16.480 -6.541 1.00 0.00 N ATOM 247 CA PRO A 18 -18.459 -15.868 -7.514 1.00 0.00 C ATOM 248 C PRO A 18 -19.894 -16.346 -7.310 1.00 0.00 C ATOM 249 O PRO A 18 -20.150 -17.266 -6.528 1.00 0.00 O ATOM 250 CB PRO A 18 -17.927 -16.316 -8.863 1.00 0.00 C ATOM 251 CG PRO A 18 -17.321 -17.650 -8.601 1.00 0.00 C ATOM 252 CD PRO A 18 -16.693 -17.555 -7.211 1.00 0.00 C ATOM 0 HA PRO A 18 -18.513 -14.785 -7.402 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.725 -16.381 -9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.189 -15.614 -9.251 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.075 -18.436 -8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.571 -17.894 -9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.759 -18.501 -6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.637 -17.291 -7.264 1.00 0.00 H new ATOM 260 N GLY A 19 -20.823 -15.703 -8.023 1.00 0.00 N ATOM 261 CA GLY A 19 -22.248 -16.046 -7.933 1.00 0.00 C ATOM 262 C GLY A 19 -23.161 -14.804 -8.026 1.00 0.00 C ATOM 263 O GLY A 19 -24.359 -14.893 -7.739 1.00 0.00 O ATOM 0 H GLY A 19 -20.615 -14.942 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.503 -16.741 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.436 -16.562 -6.991 1.00 0.00 H new ATOM 267 N GLY A 20 -22.590 -13.651 -8.429 1.00 0.00 N ATOM 268 CA GLY A 20 -23.364 -12.410 -8.556 1.00 0.00 C ATOM 269 C GLY A 20 -23.755 -11.844 -7.187 1.00 0.00 C ATOM 270 O GLY A 20 -24.765 -11.145 -7.063 1.00 0.00 O ATOM 0 H GLY A 20 -21.603 -13.558 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.779 -11.670 -9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.263 -12.600 -9.142 1.00 0.00 H new ATOM 274 N VAL A 21 -22.946 -12.153 -6.164 1.00 0.00 N ATOM 275 CA VAL A 21 -23.200 -11.680 -4.803 1.00 0.00 C ATOM 276 C VAL A 21 -22.185 -10.603 -4.446 1.00 0.00 C ATOM 277 O VAL A 21 -20.973 -10.806 -4.591 1.00 0.00 O ATOM 278 CB VAL A 21 -23.117 -12.857 -3.795 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.410 -12.367 -2.363 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.139 -13.940 -4.171 1.00 0.00 C ATOM 0 H VAL A 21 -22.110 -12.730 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.204 -11.259 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.108 -13.269 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.347 -13.207 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.679 -11.609 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.411 -11.938 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.075 -14.763 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.143 -13.517 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -23.925 -14.310 -5.174 1.00 0.00 H new ATOM 290 N VAL A 22 -22.692 -9.460 -3.986 1.00 0.00 N ATOM 291 CA VAL A 22 -21.835 -8.342 -3.615 1.00 0.00 C ATOM 292 C VAL A 22 -21.112 -8.668 -2.314 1.00 0.00 C ATOM 293 O VAL A 22 -21.744 -8.923 -1.282 1.00 0.00 O ATOM 294 CB VAL A 22 -22.674 -7.041 -3.471 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.777 -5.857 -3.057 1.00 0.00 C ATOM 296 CG2 VAL A 22 -23.340 -6.711 -4.814 1.00 0.00 C ATOM 0 H VAL A 22 -23.690 -9.287 -3.863 1.00 0.00 H new ATOM 0 HA VAL A 22 -21.095 -8.178 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.430 -7.202 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.384 -4.957 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.302 -6.077 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -21.010 -5.699 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.928 -5.799 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.573 -6.566 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.992 -7.533 -5.108 1.00 0.00 H new ATOM 306 N HIS A 23 -19.784 -8.665 -2.384 1.00 0.00 N ATOM 307 CA HIS A 23 -18.946 -8.967 -1.227 1.00 0.00 C ATOM 308 C HIS A 23 -18.117 -7.764 -0.842 1.00 0.00 C ATOM 309 O HIS A 23 -17.563 -7.076 -1.707 1.00 0.00 O ATOM 310 CB HIS A 23 -18.014 -10.147 -1.525 1.00 0.00 C ATOM 311 CG HIS A 23 -18.822 -11.387 -1.818 1.00 0.00 C ATOM 312 ND1 HIS A 23 -19.548 -12.046 -0.838 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.026 -12.094 -2.976 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.150 -13.101 -1.422 1.00 0.00 C ATOM 315 NE2 HIS A 23 -19.864 -13.175 -2.724 1.00 0.00 N ATOM 0 H HIS A 23 -19.262 -8.455 -3.235 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.605 -9.231 -0.400 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.376 -9.910 -2.376 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.357 -10.325 -0.674 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -19.614 -11.781 0.145 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.600 -11.848 -3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -20.786 -13.801 -0.900 1.00 0.00 H new ATOM 323 N SER A 24 -18.021 -7.524 0.463 1.00 0.00 N ATOM 324 CA SER A 24 -17.238 -6.410 0.987 1.00 0.00 C ATOM 325 C SER A 24 -16.114 -6.919 1.876 1.00 0.00 C ATOM 326 O SER A 24 -16.342 -7.717 2.791 1.00 0.00 O ATOM 327 CB SER A 24 -18.134 -5.457 1.778 1.00 0.00 C ATOM 328 OG SER A 24 -19.129 -4.921 0.913 1.00 0.00 O ATOM 0 H SER A 24 -18.478 -8.089 1.179 1.00 0.00 H new ATOM 0 HA SER A 24 -16.803 -5.872 0.145 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.603 -5.985 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.538 -4.652 2.209 1.00 0.00 H new ATOM 0 HG SER A 24 -19.707 -4.311 1.417 1.00 0.00 H new ATOM 334 N PHE A 25 -14.904 -6.434 1.610 1.00 0.00 N ATOM 335 CA PHE A 25 -13.722 -6.808 2.392 1.00 0.00 C ATOM 336 C PHE A 25 -13.000 -5.561 2.864 1.00 0.00 C ATOM 337 O PHE A 25 -12.994 -4.546 2.164 1.00 0.00 O ATOM 338 CB PHE A 25 -12.769 -7.672 1.554 1.00 0.00 C ATOM 339 CG PHE A 25 -13.457 -8.959 1.154 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.096 -9.056 -0.089 1.00 0.00 C ATOM 341 CD2 PHE A 25 -13.454 -10.054 2.027 1.00 0.00 C ATOM 342 CE1 PHE A 25 -14.730 -10.247 -0.459 1.00 0.00 C ATOM 343 CE2 PHE A 25 -14.089 -11.245 1.657 1.00 0.00 C ATOM 344 CZ PHE A 25 -14.727 -11.342 0.414 1.00 0.00 C ATOM 0 H PHE A 25 -14.713 -5.776 0.854 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.049 -7.387 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.456 -7.125 0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -11.868 -7.894 2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.099 -8.211 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.962 -9.979 2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.222 -10.322 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.087 -12.090 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.217 -12.261 0.129 1.00 0.00 H new ATOM 354 N SER A 26 -12.407 -5.629 4.061 1.00 0.00 N ATOM 355 CA SER A 26 -11.701 -4.479 4.619 1.00 0.00 C ATOM 356 C SER A 26 -10.648 -4.900 5.634 1.00 0.00 C ATOM 357 O SER A 26 -10.646 -6.039 6.108 1.00 0.00 O ATOM 358 CB SER A 26 -12.690 -3.511 5.263 1.00 0.00 C ATOM 359 OG SER A 26 -13.277 -4.127 6.403 1.00 0.00 O ATOM 0 H SER A 26 -12.403 -6.459 4.653 1.00 0.00 H new ATOM 0 HA SER A 26 -11.190 -3.979 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.180 -2.592 5.554 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.463 -3.233 4.547 1.00 0.00 H new ATOM 0 HG SER A 26 -13.911 -3.507 6.820 1.00 0.00 H new ATOM 365 N HIS A 27 -9.754 -3.960 5.958 1.00 0.00 N ATOM 366 CA HIS A 27 -8.680 -4.209 6.917 1.00 0.00 C ATOM 367 C HIS A 27 -8.298 -2.911 7.635 1.00 0.00 C ATOM 368 O HIS A 27 -8.298 -1.832 7.029 1.00 0.00 O ATOM 369 CB HIS A 27 -7.459 -4.798 6.200 1.00 0.00 C ATOM 370 CG HIS A 27 -6.468 -5.311 7.214 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.552 -4.481 7.836 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.242 -6.567 7.719 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.821 -5.242 8.675 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.203 -6.521 8.641 1.00 0.00 N ATOM 0 H HIS A 27 -9.756 -3.018 5.567 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.032 -4.926 7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.769 -5.608 5.540 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.992 -4.038 5.574 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.789 -7.456 7.442 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.024 -4.864 9.298 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.815 -7.298 9.177 1.00 0.00 H new ATOM 382 N ASN A 28 -8.005 -3.023 8.938 1.00 0.00 N ATOM 383 CA ASN A 28 -7.654 -1.860 9.762 1.00 0.00 C ATOM 384 C ASN A 28 -6.229 -1.966 10.294 1.00 0.00 C ATOM 385 O ASN A 28 -5.616 -3.033 10.245 1.00 0.00 O ATOM 386 CB ASN A 28 -8.630 -1.732 10.934 1.00 0.00 C ATOM 387 CG ASN A 28 -8.635 -3.018 11.759 1.00 0.00 C ATOM 388 OD1 ASN A 28 -7.576 -3.574 12.050 1.00 0.00 O ATOM 389 ND2 ASN A 28 -9.770 -3.523 12.156 1.00 0.00 N ATOM 0 H ASN A 28 -8.004 -3.909 9.444 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.720 -0.973 9.132 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.345 -0.889 11.563 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.633 -1.527 10.561 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.781 -4.380 12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.646 -3.061 11.914 1.00 0.00 H new ATOM 396 N VAL A 29 -5.718 -0.847 10.815 1.00 0.00 N ATOM 397 CA VAL A 29 -4.361 -0.796 11.379 1.00 0.00 C ATOM 398 C VAL A 29 -4.396 -0.256 12.810 1.00 0.00 C ATOM 399 O VAL A 29 -5.301 0.504 13.171 1.00 0.00 O ATOM 400 CB VAL A 29 -3.443 0.083 10.501 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.308 -0.546 9.113 1.00 0.00 C ATOM 402 CG2 VAL A 29 -4.032 1.509 10.365 1.00 0.00 C ATOM 0 H VAL A 29 -6.222 0.038 10.859 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.960 -1.809 11.398 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.463 0.149 10.973 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.660 0.075 8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.876 -1.542 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.292 -0.619 8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.374 2.117 9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.018 1.453 9.903 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.119 1.962 11.352 1.00 0.00 H new ATOM 412 N GLY A 30 -3.420 -0.678 13.631 1.00 0.00 N ATOM 413 CA GLY A 30 -3.365 -0.258 15.035 1.00 0.00 C ATOM 414 C GLY A 30 -3.208 1.276 15.172 1.00 0.00 C ATOM 415 O GLY A 30 -3.993 1.906 15.889 1.00 0.00 O ATOM 0 H GLY A 30 -2.666 -1.304 13.347 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.274 -0.577 15.545 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.530 -0.754 15.530 1.00 0.00 H new ATOM 419 N PRO A 31 -2.227 1.908 14.482 1.00 0.00 N ATOM 420 CA PRO A 31 -2.039 3.401 14.549 1.00 0.00 C ATOM 421 C PRO A 31 -3.286 4.142 14.075 1.00 0.00 C ATOM 422 O PRO A 31 -3.715 5.122 14.690 1.00 0.00 O ATOM 423 CB PRO A 31 -0.864 3.656 13.589 1.00 0.00 C ATOM 424 CG PRO A 31 -0.135 2.358 13.529 1.00 0.00 C ATOM 425 CD PRO A 31 -1.211 1.287 13.592 1.00 0.00 C ATOM 0 HA PRO A 31 -1.854 3.753 15.564 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.217 3.958 12.603 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.220 4.455 13.955 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.447 2.276 12.611 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.564 2.262 14.359 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.618 1.061 12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.830 0.351 14.001 1.00 0.00 H new ATOM 433 N GLY A 32 -3.866 3.646 12.980 1.00 0.00 N ATOM 434 CA GLY A 32 -5.076 4.227 12.405 1.00 0.00 C ATOM 435 C GLY A 32 -6.328 3.548 12.943 1.00 0.00 C ATOM 436 O GLY A 32 -6.860 2.629 12.309 1.00 0.00 O ATOM 0 H GLY A 32 -3.511 2.836 12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.113 5.293 12.631 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.047 4.132 11.320 1.00 0.00 H new ATOM 440 N ASP A 33 -6.804 4.009 14.105 1.00 0.00 N ATOM 441 CA ASP A 33 -8.014 3.444 14.711 1.00 0.00 C ATOM 442 C ASP A 33 -9.226 3.658 13.803 1.00 0.00 C ATOM 443 O ASP A 33 -10.104 2.794 13.711 1.00 0.00 O ATOM 444 CB ASP A 33 -8.276 4.090 16.084 1.00 0.00 C ATOM 445 CG ASP A 33 -7.243 3.625 17.136 1.00 0.00 C ATOM 446 OD1 ASP A 33 -6.556 2.636 16.897 1.00 0.00 O ATOM 447 OD2 ASP A 33 -7.158 4.272 18.167 1.00 0.00 O ATOM 0 H ASP A 33 -6.375 4.764 14.640 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.858 2.373 14.842 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.237 5.175 15.990 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.281 3.835 16.422 1.00 0.00 H new ATOM 452 N LYS A 34 -9.260 4.814 13.127 1.00 0.00 N ATOM 453 CA LYS A 34 -10.363 5.150 12.209 1.00 0.00 C ATOM 454 C LYS A 34 -9.997 4.889 10.733 1.00 0.00 C ATOM 455 O LYS A 34 -10.838 5.061 9.847 1.00 0.00 O ATOM 456 CB LYS A 34 -10.766 6.616 12.380 1.00 0.00 C ATOM 457 CG LYS A 34 -11.299 6.834 13.793 1.00 0.00 C ATOM 458 CD LYS A 34 -11.745 8.291 13.956 1.00 0.00 C ATOM 459 CE LYS A 34 -12.237 8.519 15.392 1.00 0.00 C ATOM 460 NZ LYS A 34 -13.436 7.662 15.669 1.00 0.00 N ATOM 0 H LYS A 34 -8.539 5.533 13.196 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.199 4.500 12.466 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.908 7.264 12.199 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.527 6.883 11.647 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.137 6.163 13.984 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.527 6.596 14.524 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.916 8.963 13.733 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.541 8.520 13.247 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.441 8.284 16.099 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.490 9.569 15.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.940 8.029 16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.071 7.677 14.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.130 6.685 15.852 1.00 0.00 H new ATOM 474 N TYR A 35 -8.738 4.503 10.478 1.00 0.00 N ATOM 475 CA TYR A 35 -8.262 4.259 9.115 1.00 0.00 C ATOM 476 C TYR A 35 -8.579 2.826 8.672 1.00 0.00 C ATOM 477 O TYR A 35 -8.007 1.868 9.200 1.00 0.00 O ATOM 478 CB TYR A 35 -6.746 4.490 9.053 1.00 0.00 C ATOM 479 CG TYR A 35 -6.293 4.502 7.616 1.00 0.00 C ATOM 480 CD1 TYR A 35 -6.230 5.708 6.918 1.00 0.00 C ATOM 481 CD2 TYR A 35 -5.950 3.305 6.984 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.823 5.721 5.581 1.00 0.00 C ATOM 483 CE2 TYR A 35 -5.541 3.314 5.646 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.477 4.521 4.944 1.00 0.00 C ATOM 485 OH TYR A 35 -5.076 4.530 3.625 1.00 0.00 O ATOM 0 H TYR A 35 -8.034 4.354 11.200 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.772 4.949 8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.493 5.436 9.532 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.226 3.705 9.602 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.496 6.632 7.411 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.000 2.373 7.528 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.775 6.654 5.039 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.275 2.389 5.156 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.110 4.687 3.578 1.00 0.00 H new ATOM 495 N THR A 36 -9.485 2.690 7.684 1.00 0.00 N ATOM 496 CA THR A 36 -9.855 1.369 7.167 1.00 0.00 C ATOM 497 C THR A 36 -9.988 1.389 5.638 1.00 0.00 C ATOM 498 O THR A 36 -10.650 2.269 5.076 1.00 0.00 O ATOM 499 CB THR A 36 -11.177 0.907 7.801 1.00 0.00 C ATOM 500 OG1 THR A 36 -11.072 0.993 9.216 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.469 -0.549 7.409 1.00 0.00 C ATOM 0 H THR A 36 -9.965 3.471 7.237 1.00 0.00 H new ATOM 0 HA THR A 36 -9.063 0.669 7.431 1.00 0.00 H new ATOM 0 HB THR A 36 -11.986 1.545 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.508 0.216 9.624 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.408 -0.867 7.863 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.547 -0.625 6.324 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.660 -1.190 7.761 1.00 0.00 H new ATOM 509 N CYS A 37 -9.420 0.367 4.984 1.00 0.00 N ATOM 510 CA CYS A 37 -9.544 0.215 3.531 1.00 0.00 C ATOM 511 C CYS A 37 -10.717 -0.704 3.221 1.00 0.00 C ATOM 512 O CYS A 37 -10.895 -1.725 3.882 1.00 0.00 O ATOM 513 CB CYS A 37 -8.256 -0.369 2.914 1.00 0.00 C ATOM 514 SG CYS A 37 -6.861 0.759 3.179 1.00 0.00 S ATOM 0 H CYS A 37 -8.872 -0.364 5.438 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.711 1.201 3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.038 -1.339 3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.400 -0.536 1.846 1.00 0.00 H new ATOM 519 N MET A 38 -11.535 -0.318 2.237 1.00 0.00 N ATOM 520 CA MET A 38 -12.723 -1.100 1.863 1.00 0.00 C ATOM 521 C MET A 38 -12.712 -1.464 0.402 1.00 0.00 C ATOM 522 O MET A 38 -12.324 -0.657 -0.451 1.00 0.00 O ATOM 523 CB MET A 38 -13.997 -0.329 2.175 1.00 0.00 C ATOM 524 CG MET A 38 -14.102 -0.124 3.679 1.00 0.00 C ATOM 525 SD MET A 38 -15.567 0.867 4.060 1.00 0.00 S ATOM 526 CE MET A 38 -15.361 0.898 5.856 1.00 0.00 C ATOM 0 H MET A 38 -11.399 0.529 1.685 1.00 0.00 H new ATOM 0 HA MET A 38 -12.697 -2.017 2.451 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.988 0.634 1.664 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.866 -0.876 1.809 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.162 -1.088 4.184 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.207 0.375 4.051 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.872 1.769 6.266 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.787 -0.008 6.287 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.300 0.951 6.100 1.00 0.00 H new ATOM 536 N PHE A 39 -13.143 -2.689 0.118 1.00 0.00 N ATOM 537 CA PHE A 39 -13.193 -3.191 -1.252 1.00 0.00 C ATOM 538 C PHE A 39 -14.518 -3.899 -1.520 1.00 0.00 C ATOM 539 O PHE A 39 -14.776 -4.978 -0.975 1.00 0.00 O ATOM 540 CB PHE A 39 -12.023 -4.152 -1.496 1.00 0.00 C ATOM 541 CG PHE A 39 -10.716 -3.406 -1.316 1.00 0.00 C ATOM 542 CD1 PHE A 39 -10.167 -3.267 -0.034 1.00 0.00 C ATOM 543 CD2 PHE A 39 -10.063 -2.857 -2.421 1.00 0.00 C ATOM 544 CE1 PHE A 39 -8.963 -2.577 0.140 1.00 0.00 C ATOM 545 CE2 PHE A 39 -8.858 -2.168 -2.248 1.00 0.00 C ATOM 546 CZ PHE A 39 -8.307 -2.027 -0.966 1.00 0.00 C ATOM 0 H PHE A 39 -13.464 -3.355 0.821 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.112 -2.346 -1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.075 -4.990 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.082 -4.567 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.674 -3.693 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.488 -2.964 -3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.540 -2.469 1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.351 -1.744 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.377 -1.494 -0.833 1.00 0.00 H new ATOM 556 N THR A 40 -15.346 -3.293 -2.374 1.00 0.00 N ATOM 557 CA THR A 40 -16.650 -3.874 -2.736 1.00 0.00 C ATOM 558 C THR A 40 -16.656 -4.266 -4.223 1.00 0.00 C ATOM 559 O THR A 40 -16.327 -3.446 -5.086 1.00 0.00 O ATOM 560 CB THR A 40 -17.776 -2.858 -2.437 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.738 -2.514 -1.059 1.00 0.00 O ATOM 562 CG2 THR A 40 -19.150 -3.470 -2.760 1.00 0.00 C ATOM 0 H THR A 40 -15.142 -2.403 -2.829 1.00 0.00 H new ATOM 0 HA THR A 40 -16.822 -4.771 -2.142 1.00 0.00 H new ATOM 0 HB THR A 40 -17.626 -1.972 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.449 -1.868 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.932 -2.742 -2.544 1.00 0.00 H new ATOM 0 HG22 THR A 40 -19.188 -3.742 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.304 -4.360 -2.150 1.00 0.00 H new ATOM 570 N TYR A 41 -17.014 -5.533 -4.505 1.00 0.00 N ATOM 571 CA TYR A 41 -17.035 -6.031 -5.889 1.00 0.00 C ATOM 572 C TYR A 41 -17.961 -7.250 -6.059 1.00 0.00 C ATOM 573 O TYR A 41 -18.290 -7.935 -5.089 1.00 0.00 O ATOM 574 CB TYR A 41 -15.603 -6.379 -6.350 1.00 0.00 C ATOM 575 CG TYR A 41 -15.004 -7.460 -5.464 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.179 -8.811 -5.787 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.274 -7.103 -4.322 1.00 0.00 C ATOM 578 CE1 TYR A 41 -14.625 -9.805 -4.969 1.00 0.00 C ATOM 579 CE2 TYR A 41 -13.721 -8.096 -3.505 1.00 0.00 C ATOM 580 CZ TYR A 41 -13.895 -9.446 -3.828 1.00 0.00 C ATOM 581 OH TYR A 41 -13.350 -10.426 -3.021 1.00 0.00 O ATOM 0 H TYR A 41 -17.289 -6.220 -3.803 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.435 -5.233 -6.515 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.621 -6.718 -7.386 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.978 -5.487 -6.318 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.741 -9.087 -6.667 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.138 -6.061 -4.072 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.761 -10.847 -5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.160 -7.820 -2.625 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.451 -10.169 -2.081 1.00 0.00 H new ATOM 591 N ALA A 42 -18.329 -7.527 -7.318 1.00 0.00 N ATOM 592 CA ALA A 42 -19.166 -8.685 -7.661 1.00 0.00 C ATOM 593 C ALA A 42 -18.482 -9.504 -8.759 1.00 0.00 C ATOM 594 O ALA A 42 -17.856 -8.931 -9.667 1.00 0.00 O ATOM 595 CB ALA A 42 -20.546 -8.222 -8.134 1.00 0.00 C ATOM 0 H ALA A 42 -18.057 -6.960 -8.121 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.294 -9.306 -6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.155 -9.091 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -21.032 -7.655 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.435 -7.590 -9.015 1.00 0.00 H new ATOM 601 N SER A 43 -18.552 -10.850 -8.644 1.00 0.00 N ATOM 602 CA SER A 43 -17.871 -11.729 -9.600 1.00 0.00 C ATOM 603 C SER A 43 -18.746 -12.891 -10.059 1.00 0.00 C ATOM 604 O SER A 43 -19.631 -13.352 -9.334 1.00 0.00 O ATOM 605 CB SER A 43 -16.590 -12.273 -8.981 1.00 0.00 C ATOM 606 OG SER A 43 -15.754 -11.188 -8.609 1.00 0.00 O ATOM 0 H SER A 43 -19.066 -11.337 -7.910 1.00 0.00 H new ATOM 0 HA SER A 43 -17.642 -11.126 -10.479 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.824 -12.883 -8.109 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.074 -12.918 -9.692 1.00 0.00 H new ATOM 0 HG SER A 43 -14.970 -11.163 -9.197 1.00 0.00 H new ATOM 612 N GLN A 44 -18.432 -13.391 -11.254 1.00 0.00 N ATOM 613 CA GLN A 44 -19.110 -14.545 -11.836 1.00 0.00 C ATOM 614 C GLN A 44 -18.071 -15.579 -12.291 1.00 0.00 C ATOM 615 O GLN A 44 -17.107 -15.240 -12.976 1.00 0.00 O ATOM 616 CB GLN A 44 -20.010 -14.107 -13.019 1.00 0.00 C ATOM 617 CG GLN A 44 -20.711 -15.329 -13.639 1.00 0.00 C ATOM 618 CD GLN A 44 -21.788 -14.888 -14.628 1.00 0.00 C ATOM 619 OE1 GLN A 44 -22.436 -13.858 -14.430 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.020 -15.613 -15.687 1.00 0.00 N ATOM 0 H GLN A 44 -17.697 -13.004 -11.846 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.750 -15.001 -11.081 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.754 -13.390 -12.672 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.408 -13.602 -13.775 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -19.978 -15.956 -14.147 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.159 -15.936 -12.852 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.483 -16.465 -15.849 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -22.738 -15.328 -16.353 1.00 0.00 H new ATOM 629 N GLY A 45 -18.284 -16.834 -11.893 1.00 0.00 N ATOM 630 CA GLY A 45 -17.384 -17.925 -12.237 1.00 0.00 C ATOM 631 C GLY A 45 -17.846 -19.211 -11.577 1.00 0.00 C ATOM 632 O GLY A 45 -18.832 -19.213 -10.831 1.00 0.00 O ATOM 0 H GLY A 45 -19.083 -17.118 -11.326 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.353 -18.053 -13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.370 -17.686 -11.915 1.00 0.00 H new ATOM 636 N GLY A 46 -17.140 -20.307 -11.862 1.00 0.00 N ATOM 637 CA GLY A 46 -17.493 -21.616 -11.302 1.00 0.00 C ATOM 638 C GLY A 46 -16.479 -22.114 -10.257 1.00 0.00 C ATOM 639 O GLY A 46 -16.567 -23.265 -9.813 1.00 0.00 O ATOM 0 H GLY A 46 -16.324 -20.316 -12.474 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.480 -21.555 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -17.562 -22.344 -12.110 1.00 0.00 H new ATOM 643 N THR A 47 -15.515 -21.253 -9.874 1.00 0.00 N ATOM 644 CA THR A 47 -14.498 -21.641 -8.890 1.00 0.00 C ATOM 645 C THR A 47 -14.016 -20.449 -8.066 1.00 0.00 C ATOM 646 O THR A 47 -13.978 -19.316 -8.554 1.00 0.00 O ATOM 647 CB THR A 47 -13.309 -22.326 -9.593 1.00 0.00 C ATOM 648 OG1 THR A 47 -12.353 -22.731 -8.621 1.00 0.00 O ATOM 649 CG2 THR A 47 -12.652 -21.362 -10.598 1.00 0.00 C ATOM 0 H THR A 47 -15.424 -20.301 -10.227 1.00 0.00 H new ATOM 0 HA THR A 47 -14.961 -22.347 -8.200 1.00 0.00 H new ATOM 0 HB THR A 47 -13.673 -23.199 -10.134 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.598 -23.168 -9.067 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.814 -21.860 -11.086 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.384 -21.064 -11.349 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.292 -20.478 -10.072 1.00 0.00 H new ATOM 657 N ASN A 48 -13.651 -20.722 -6.811 1.00 0.00 N ATOM 658 CA ASN A 48 -13.171 -19.706 -5.901 1.00 0.00 C ATOM 659 C ASN A 48 -11.712 -19.377 -6.218 1.00 0.00 C ATOM 660 O ASN A 48 -11.012 -20.181 -6.843 1.00 0.00 O ATOM 661 CB ASN A 48 -13.280 -20.225 -4.468 1.00 0.00 C ATOM 662 CG ASN A 48 -14.719 -20.658 -4.177 1.00 0.00 C ATOM 663 OD1 ASN A 48 -15.670 -20.020 -4.635 1.00 0.00 O ATOM 664 ND2 ASN A 48 -14.931 -21.714 -3.441 1.00 0.00 N ATOM 0 H ASN A 48 -13.684 -21.658 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.772 -18.804 -6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.602 -21.066 -4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.976 -19.448 -3.767 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.885 -22.014 -3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.142 -22.239 -3.064 1.00 0.00 H new ATOM 671 N GLU A 49 -11.263 -18.192 -5.794 1.00 0.00 N ATOM 672 CA GLU A 49 -9.888 -17.751 -6.043 1.00 0.00 C ATOM 673 C GLU A 49 -9.256 -17.232 -4.762 1.00 0.00 C ATOM 674 O GLU A 49 -9.942 -16.692 -3.896 1.00 0.00 O ATOM 675 CB GLU A 49 -9.864 -16.659 -7.124 1.00 0.00 C ATOM 676 CG GLU A 49 -8.406 -16.302 -7.506 1.00 0.00 C ATOM 677 CD GLU A 49 -7.673 -17.513 -8.120 1.00 0.00 C ATOM 678 OE1 GLU A 49 -8.338 -18.388 -8.664 1.00 0.00 O ATOM 679 OE2 GLU A 49 -6.457 -17.543 -8.035 1.00 0.00 O ATOM 0 H GLU A 49 -11.832 -17.521 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.311 -18.606 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.403 -17.002 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.379 -15.769 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.406 -15.476 -8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.869 -15.960 -6.621 1.00 0.00 H new ATOM 686 N GLN A 50 -7.944 -17.404 -4.657 1.00 0.00 N ATOM 687 CA GLN A 50 -7.199 -16.955 -3.489 1.00 0.00 C ATOM 688 C GLN A 50 -6.455 -15.666 -3.798 1.00 0.00 C ATOM 689 O GLN A 50 -5.726 -15.585 -4.786 1.00 0.00 O ATOM 690 CB GLN A 50 -6.217 -18.036 -3.042 1.00 0.00 C ATOM 691 CG GLN A 50 -7.003 -19.248 -2.539 1.00 0.00 C ATOM 692 CD GLN A 50 -6.050 -20.389 -2.197 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.079 -20.626 -2.915 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.274 -21.114 -1.133 1.00 0.00 N ATOM 0 H GLN A 50 -7.372 -17.854 -5.372 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.904 -16.764 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.572 -18.324 -3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.570 -17.653 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.584 -18.974 -1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.712 -19.573 -3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.080 -20.915 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.643 -21.879 -0.895 1.00 0.00 H new ATOM 703 N TRP A 51 -6.671 -14.656 -2.958 1.00 0.00 N ATOM 704 CA TRP A 51 -6.045 -13.344 -3.134 1.00 0.00 C ATOM 705 C TRP A 51 -5.297 -12.917 -1.882 1.00 0.00 C ATOM 706 O TRP A 51 -5.730 -13.196 -0.760 1.00 0.00 O ATOM 707 CB TRP A 51 -7.101 -12.299 -3.484 1.00 0.00 C ATOM 708 CG TRP A 51 -7.608 -12.527 -4.875 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.438 -13.527 -5.253 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.344 -11.737 -6.069 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.688 -13.406 -6.615 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.035 -12.312 -7.161 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.570 -10.585 -6.308 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -7.961 -11.763 -8.446 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.495 -10.030 -7.596 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.189 -10.618 -8.662 1.00 0.00 C ATOM 0 H TRP A 51 -7.280 -14.721 -2.142 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.328 -13.424 -3.951 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.926 -12.353 -2.774 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.675 -11.299 -3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.839 -14.292 -4.604 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.279 -14.044 -7.147 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.030 -10.125 -5.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.496 -12.221 -9.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.899 -9.145 -7.766 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.127 -10.187 -9.650 1.00 0.00 H new ATOM 727 N GLN A 52 -4.177 -12.221 -2.089 1.00 0.00 N ATOM 728 CA GLN A 52 -3.362 -11.723 -0.981 1.00 0.00 C ATOM 729 C GLN A 52 -3.564 -10.227 -0.807 1.00 0.00 C ATOM 730 O GLN A 52 -3.605 -9.475 -1.795 1.00 0.00 O ATOM 731 CB GLN A 52 -1.873 -11.998 -1.229 1.00 0.00 C ATOM 732 CG GLN A 52 -1.632 -13.507 -1.348 1.00 0.00 C ATOM 733 CD GLN A 52 -0.151 -13.779 -1.582 1.00 0.00 C ATOM 734 OE1 GLN A 52 0.421 -13.306 -2.563 1.00 0.00 O ATOM 735 NE2 GLN A 52 0.510 -14.511 -0.728 1.00 0.00 N ATOM 0 H GLN A 52 -3.814 -11.990 -3.014 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.677 -12.245 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.549 -11.497 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.278 -11.590 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.964 -14.010 -0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.220 -13.914 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.034 -14.902 0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.503 -14.692 -0.873 1.00 0.00 H new ATOM 744 N MET A 53 -3.660 -9.795 0.453 1.00 0.00 N ATOM 745 CA MET A 53 -3.821 -8.376 0.769 1.00 0.00 C ATOM 746 C MET A 53 -2.618 -7.915 1.551 1.00 0.00 C ATOM 747 O MET A 53 -2.247 -8.550 2.537 1.00 0.00 O ATOM 748 CB MET A 53 -5.075 -8.137 1.628 1.00 0.00 C ATOM 749 CG MET A 53 -6.320 -8.695 0.927 1.00 0.00 C ATOM 750 SD MET A 53 -7.778 -8.413 1.966 1.00 0.00 S ATOM 751 CE MET A 53 -7.915 -6.631 1.689 1.00 0.00 C ATOM 0 H MET A 53 -3.629 -10.407 1.268 1.00 0.00 H new ATOM 0 HA MET A 53 -3.922 -7.824 -0.165 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.953 -8.614 2.600 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.200 -7.070 1.810 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.452 -8.212 -0.041 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.196 -9.761 0.738 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.844 -6.108 2.643 1.00 0.00 H new ATOM 0 HE2 MET A 53 -7.109 -6.302 1.034 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.875 -6.408 1.224 1.00 0.00 H new ATOM 761 N SER A 54 -2.022 -6.802 1.133 1.00 0.00 N ATOM 762 CA SER A 54 -0.869 -6.251 1.834 1.00 0.00 C ATOM 763 C SER A 54 -1.070 -4.785 2.111 1.00 0.00 C ATOM 764 O SER A 54 -1.444 -4.021 1.220 1.00 0.00 O ATOM 765 CB SER A 54 0.402 -6.457 1.020 1.00 0.00 C ATOM 766 OG SER A 54 0.652 -7.851 0.882 1.00 0.00 O ATOM 0 H SER A 54 -2.317 -6.267 0.316 1.00 0.00 H new ATOM 0 HA SER A 54 -0.766 -6.777 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.297 -5.996 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.245 -5.972 1.512 1.00 0.00 H new ATOM 0 HG SER A 54 0.462 -8.128 -0.039 1.00 0.00 H new ATOM 772 N LEU A 55 -0.799 -4.394 3.345 1.00 0.00 N ATOM 773 CA LEU A 55 -0.922 -3.004 3.763 1.00 0.00 C ATOM 774 C LEU A 55 0.289 -2.601 4.574 1.00 0.00 C ATOM 775 O LEU A 55 0.895 -3.439 5.255 1.00 0.00 O ATOM 776 CB LEU A 55 -2.213 -2.788 4.580 1.00 0.00 C ATOM 777 CG LEU A 55 -2.244 -3.734 5.827 1.00 0.00 C ATOM 778 CD1 LEU A 55 -2.975 -3.048 6.983 1.00 0.00 C ATOM 779 CD2 LEU A 55 -2.979 -5.042 5.483 1.00 0.00 C ATOM 0 H LEU A 55 -0.489 -5.026 4.083 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.978 -2.378 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.275 -1.749 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.083 -2.978 3.951 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.217 -3.957 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.993 -3.712 7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.457 -2.125 7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.997 -2.817 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.994 -5.692 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.002 -4.816 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.462 -5.546 4.666 1.00 0.00 H new ATOM 791 N GLY A 56 0.659 -1.325 4.479 1.00 0.00 N ATOM 792 CA GLY A 56 1.829 -0.822 5.185 1.00 0.00 C ATOM 793 C GLY A 56 1.705 0.656 5.486 1.00 0.00 C ATOM 794 O GLY A 56 0.751 1.316 5.055 1.00 0.00 O ATOM 0 H GLY A 56 0.167 -0.626 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.958 -1.374 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.721 -0.998 4.584 1.00 0.00 H new ATOM 798 N THR A 57 2.671 1.165 6.245 1.00 0.00 N ATOM 799 CA THR A 57 2.688 2.572 6.643 1.00 0.00 C ATOM 800 C THR A 57 4.042 3.192 6.328 1.00 0.00 C ATOM 801 O THR A 57 5.042 2.479 6.193 1.00 0.00 O ATOM 802 CB THR A 57 2.408 2.703 8.157 1.00 0.00 C ATOM 803 OG1 THR A 57 3.453 2.069 8.882 1.00 0.00 O ATOM 804 CG2 THR A 57 1.065 2.039 8.517 1.00 0.00 C ATOM 0 H THR A 57 3.458 0.621 6.600 1.00 0.00 H new ATOM 0 HA THR A 57 1.912 3.096 6.085 1.00 0.00 H new ATOM 0 HB THR A 57 2.359 3.761 8.416 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.101 1.723 9.729 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.884 2.141 9.587 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.260 2.524 7.965 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.100 0.982 8.254 1.00 0.00 H new ATOM 812 N SER A 58 4.069 4.523 6.229 1.00 0.00 N ATOM 813 CA SER A 58 5.306 5.250 5.948 1.00 0.00 C ATOM 814 C SER A 58 6.232 5.188 7.160 1.00 0.00 C ATOM 815 O SER A 58 5.794 4.843 8.264 1.00 0.00 O ATOM 816 CB SER A 58 4.991 6.702 5.617 1.00 0.00 C ATOM 817 OG SER A 58 4.565 7.364 6.796 1.00 0.00 O ATOM 0 H SER A 58 3.248 5.118 6.339 1.00 0.00 H new ATOM 0 HA SER A 58 5.802 4.788 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.873 7.194 5.207 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.214 6.754 4.855 1.00 0.00 H new ATOM 0 HG SER A 58 5.337 7.775 7.238 1.00 0.00 H new ATOM 823 N GLU A 59 7.512 5.519 6.951 1.00 0.00 N ATOM 824 CA GLU A 59 8.500 5.493 8.042 1.00 0.00 C ATOM 825 C GLU A 59 8.060 6.392 9.207 1.00 0.00 C ATOM 826 O GLU A 59 8.308 6.074 10.374 1.00 0.00 O ATOM 827 CB GLU A 59 9.887 5.927 7.520 1.00 0.00 C ATOM 828 CG GLU A 59 9.823 7.361 6.954 1.00 0.00 C ATOM 829 CD GLU A 59 11.184 7.778 6.397 1.00 0.00 C ATOM 830 OE1 GLU A 59 12.184 7.484 7.035 1.00 0.00 O ATOM 831 OE2 GLU A 59 11.207 8.385 5.339 1.00 0.00 O ATOM 0 H GLU A 59 7.888 5.806 6.047 1.00 0.00 H new ATOM 0 HA GLU A 59 8.569 4.470 8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.618 5.880 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.223 5.238 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.070 7.415 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.516 8.054 7.737 1.00 0.00 H new ATOM 838 N ASP A 60 7.363 7.483 8.876 1.00 0.00 N ATOM 839 CA ASP A 60 6.830 8.403 9.888 1.00 0.00 C ATOM 840 C ASP A 60 5.329 8.146 10.159 1.00 0.00 C ATOM 841 O ASP A 60 4.697 8.889 10.916 1.00 0.00 O ATOM 842 CB ASP A 60 7.032 9.852 9.441 1.00 0.00 C ATOM 843 CG ASP A 60 8.520 10.143 9.254 1.00 0.00 C ATOM 844 OD1 ASP A 60 9.292 9.768 10.123 1.00 0.00 O ATOM 845 OD2 ASP A 60 8.865 10.738 8.247 1.00 0.00 O ATOM 0 H ASP A 60 7.154 7.752 7.915 1.00 0.00 H new ATOM 0 HA ASP A 60 7.376 8.226 10.815 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.499 10.030 8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.611 10.531 10.183 1.00 0.00 H new ATOM 850 N HIS A 61 4.761 7.100 9.519 1.00 0.00 N ATOM 851 CA HIS A 61 3.337 6.765 9.675 1.00 0.00 C ATOM 852 C HIS A 61 2.435 7.930 9.226 1.00 0.00 C ATOM 853 O HIS A 61 1.278 8.030 9.644 1.00 0.00 O ATOM 854 CB HIS A 61 3.041 6.388 11.131 1.00 0.00 C ATOM 855 CG HIS A 61 3.773 5.117 11.475 1.00 0.00 C ATOM 856 ND1 HIS A 61 3.112 3.915 11.677 1.00 0.00 N ATOM 857 CD2 HIS A 61 5.110 4.841 11.631 1.00 0.00 C ATOM 858 CE1 HIS A 61 4.043 2.980 11.945 1.00 0.00 C ATOM 859 NE2 HIS A 61 5.278 3.493 11.929 1.00 0.00 N ATOM 0 H HIS A 61 5.270 6.477 8.892 1.00 0.00 H new ATOM 0 HA HIS A 61 3.118 5.910 9.035 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.352 7.192 11.797 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.969 6.254 11.273 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.909 5.561 11.537 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.820 1.943 12.148 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.155 3.001 12.099 1.00 0.00 H new ATOM 867 N GLN A 62 2.972 8.775 8.341 1.00 0.00 N ATOM 868 CA GLN A 62 2.236 9.909 7.779 1.00 0.00 C ATOM 869 C GLN A 62 1.322 9.477 6.617 1.00 0.00 C ATOM 870 O GLN A 62 0.287 10.101 6.371 1.00 0.00 O ATOM 871 CB GLN A 62 3.215 11.003 7.307 1.00 0.00 C ATOM 872 CG GLN A 62 4.190 10.425 6.272 1.00 0.00 C ATOM 873 CD GLN A 62 4.990 11.546 5.619 1.00 0.00 C ATOM 874 OE1 GLN A 62 4.414 12.514 5.122 1.00 0.00 O ATOM 875 NE2 GLN A 62 6.293 11.473 5.591 1.00 0.00 N ATOM 0 H GLN A 62 3.928 8.692 7.995 1.00 0.00 H new ATOM 0 HA GLN A 62 1.601 10.312 8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.661 11.835 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.768 11.399 8.158 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.866 9.719 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.639 9.871 5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.768 10.670 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.836 12.219 5.157 1.00 0.00 H new ATOM 884 N HIS A 63 1.720 8.403 5.910 1.00 0.00 N ATOM 885 CA HIS A 63 0.942 7.887 4.777 1.00 0.00 C ATOM 886 C HIS A 63 0.605 6.414 4.966 1.00 0.00 C ATOM 887 O HIS A 63 1.382 5.658 5.557 1.00 0.00 O ATOM 888 CB HIS A 63 1.701 8.080 3.460 1.00 0.00 C ATOM 889 CG HIS A 63 1.847 9.547 3.165 1.00 0.00 C ATOM 890 ND1 HIS A 63 0.758 10.344 2.864 1.00 0.00 N ATOM 891 CD2 HIS A 63 2.944 10.369 3.097 1.00 0.00 C ATOM 892 CE1 HIS A 63 1.217 11.584 2.628 1.00 0.00 C ATOM 893 NE2 HIS A 63 2.543 11.654 2.757 1.00 0.00 N ATOM 0 H HIS A 63 2.573 7.880 6.105 1.00 0.00 H new ATOM 0 HA HIS A 63 0.012 8.454 4.735 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.684 7.613 3.525 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.167 7.588 2.647 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -0.216 10.045 2.828 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.963 10.063 3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.589 12.423 2.366 1.00 0.00 H new ATOM 901 N PHE A 64 -0.580 6.024 4.486 1.00 0.00 N ATOM 902 CA PHE A 64 -1.062 4.640 4.627 1.00 0.00 C ATOM 903 C PHE A 64 -1.529 4.097 3.281 1.00 0.00 C ATOM 904 O PHE A 64 -2.127 4.830 2.494 1.00 0.00 O ATOM 905 CB PHE A 64 -2.218 4.605 5.638 1.00 0.00 C ATOM 906 CG PHE A 64 -1.713 5.058 6.992 1.00 0.00 C ATOM 907 CD1 PHE A 64 -1.585 6.426 7.259 1.00 0.00 C ATOM 908 CD2 PHE A 64 -1.372 4.121 7.970 1.00 0.00 C ATOM 909 CE1 PHE A 64 -1.112 6.855 8.503 1.00 0.00 C ATOM 910 CE2 PHE A 64 -0.901 4.550 9.215 1.00 0.00 C ATOM 911 CZ PHE A 64 -0.770 5.918 9.482 1.00 0.00 C ATOM 0 H PHE A 64 -1.225 6.644 3.996 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.245 4.013 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.028 5.253 5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.625 3.596 5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.852 7.151 6.504 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.472 3.065 7.765 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.011 7.911 8.707 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.638 3.825 9.971 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.405 6.249 10.443 1.00 0.00 H new ATOM 921 N THR A 65 -1.236 2.810 3.009 1.00 0.00 N ATOM 922 CA THR A 65 -1.625 2.198 1.725 1.00 0.00 C ATOM 923 C THR A 65 -2.131 0.760 1.875 1.00 0.00 C ATOM 924 O THR A 65 -1.629 -0.011 2.701 1.00 0.00 O ATOM 925 CB THR A 65 -0.448 2.240 0.732 1.00 0.00 C ATOM 926 OG1 THR A 65 -0.853 1.672 -0.506 1.00 0.00 O ATOM 927 CG2 THR A 65 0.754 1.462 1.292 1.00 0.00 C ATOM 0 H THR A 65 -0.742 2.186 3.647 1.00 0.00 H new ATOM 0 HA THR A 65 -2.456 2.789 1.339 1.00 0.00 H new ATOM 0 HB THR A 65 -0.151 3.277 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.798 1.877 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.577 1.501 0.579 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.069 1.909 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.469 0.423 1.460 1.00 0.00 H new ATOM 935 N CYS A 66 -3.078 0.398 1.002 1.00 0.00 N ATOM 936 CA CYS A 66 -3.623 -0.958 0.938 1.00 0.00 C ATOM 937 C CYS A 66 -3.498 -1.488 -0.496 1.00 0.00 C ATOM 938 O CYS A 66 -3.769 -0.756 -1.454 1.00 0.00 O ATOM 939 CB CYS A 66 -5.094 -0.970 1.379 1.00 0.00 C ATOM 940 SG CYS A 66 -5.222 -0.438 3.114 1.00 0.00 S ATOM 0 H CYS A 66 -3.486 1.038 0.321 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.059 -1.600 1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.680 -0.307 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.509 -1.971 1.265 1.00 0.00 H new ATOM 945 N THR A 67 -3.037 -2.742 -0.641 1.00 0.00 N ATOM 946 CA THR A 67 -2.820 -3.332 -1.977 1.00 0.00 C ATOM 947 C THR A 67 -3.388 -4.754 -2.062 1.00 0.00 C ATOM 948 O THR A 67 -3.175 -5.570 -1.162 1.00 0.00 O ATOM 949 CB THR A 67 -1.314 -3.344 -2.295 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.799 -2.025 -2.157 1.00 0.00 O ATOM 951 CG2 THR A 67 -1.063 -3.828 -3.737 1.00 0.00 C ATOM 0 H THR A 67 -2.810 -3.361 0.137 1.00 0.00 H new ATOM 0 HA THR A 67 -3.346 -2.721 -2.711 1.00 0.00 H new ATOM 0 HB THR A 67 -0.817 -4.024 -1.603 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.160 -2.026 -2.357 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.008 -3.828 -3.939 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.455 -4.838 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.564 -3.160 -4.437 1.00 0.00 H new ATOM 959 N ILE A 68 -4.104 -5.041 -3.159 1.00 0.00 N ATOM 960 CA ILE A 68 -4.696 -6.373 -3.371 1.00 0.00 C ATOM 961 C ILE A 68 -4.331 -6.928 -4.767 1.00 0.00 C ATOM 962 O ILE A 68 -4.584 -6.279 -5.785 1.00 0.00 O ATOM 963 CB ILE A 68 -6.240 -6.308 -3.219 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.591 -5.756 -1.819 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.838 -7.733 -3.372 1.00 0.00 C ATOM 966 CD1 ILE A 68 -8.092 -5.446 -1.729 1.00 0.00 C ATOM 0 H ILE A 68 -4.287 -4.375 -3.909 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.289 -7.044 -2.615 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.654 -5.656 -3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.317 -6.483 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.014 -4.853 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.922 -7.686 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.587 -8.129 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.425 -8.385 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.325 -5.058 -0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.356 -4.702 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.663 -6.358 -1.905 1.00 0.00 H new ATOM 978 N TRP A 69 -3.813 -8.166 -4.794 1.00 0.00 N ATOM 979 CA TRP A 69 -3.502 -8.853 -6.064 1.00 0.00 C ATOM 980 C TRP A 69 -3.546 -10.374 -5.863 1.00 0.00 C ATOM 981 O TRP A 69 -3.467 -10.851 -4.723 1.00 0.00 O ATOM 982 CB TRP A 69 -2.120 -8.406 -6.616 1.00 0.00 C ATOM 983 CG TRP A 69 -1.010 -8.855 -5.709 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.238 -9.949 -5.909 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.566 -8.263 -4.468 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.667 -10.050 -4.872 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.501 -9.034 -3.955 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.979 -7.137 -3.747 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.137 -8.701 -2.767 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.342 -6.795 -2.542 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.716 -7.581 -2.056 1.00 0.00 C ATOM 0 H TRP A 69 -3.601 -8.711 -3.959 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.256 -8.577 -6.801 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.971 -8.821 -7.613 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -2.097 -7.321 -6.715 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.317 -10.631 -6.743 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.371 -10.784 -4.794 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.790 -6.528 -4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.952 -9.306 -2.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.666 -5.926 -1.989 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.203 -7.316 -1.129 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.664 -11.126 -6.966 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.706 -12.587 -6.874 1.00 0.00 C ATOM 1004 C ARG A 70 -2.251 -13.189 -6.862 1.00 0.00 C ATOM 1005 O ARG A 70 -1.339 -12.591 -7.436 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.577 -13.186 -8.019 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.810 -13.200 -9.344 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.733 -13.609 -10.486 1.00 0.00 C ATOM 1009 NE ARG A 70 -5.696 -12.529 -10.776 1.00 0.00 N ATOM 1010 CZ ARG A 70 -5.377 -11.438 -11.526 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -4.170 -11.285 -12.038 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -6.283 -10.529 -11.746 1.00 0.00 N ATOM 0 H ARG A 70 -3.731 -10.754 -7.913 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.176 -12.863 -5.930 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.878 -14.201 -7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.490 -12.601 -8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.393 -12.212 -9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.971 -13.893 -9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.145 -13.830 -11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.268 -14.521 -10.222 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.641 -12.603 -10.399 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.453 -11.992 -11.875 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.954 -10.459 -12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.220 -10.638 -11.358 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.056 -9.707 -12.306 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.025 -14.338 -6.195 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.657 -14.972 -6.103 1.00 0.00 C ATOM 1028 C PRO A 71 -0.229 -15.717 -7.379 1.00 0.00 C ATOM 1029 O PRO A 71 0.950 -15.713 -7.744 1.00 0.00 O ATOM 1030 CB PRO A 71 -0.829 -15.963 -4.964 1.00 0.00 C ATOM 1031 CG PRO A 71 -2.252 -16.390 -5.072 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.030 -15.152 -5.467 1.00 0.00 C ATOM 0 HA PRO A 71 0.119 -14.221 -5.955 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.149 -16.809 -5.065 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.623 -15.501 -3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.368 -17.178 -5.817 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.612 -16.791 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.884 -15.397 -6.099 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.419 -14.626 -4.595 1.00 0.00 H new ATOM 1040 N GLN A 72 -1.187 -16.401 -8.009 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.916 -17.218 -9.206 1.00 0.00 C ATOM 1042 C GLN A 72 -0.419 -16.365 -10.367 1.00 0.00 C ATOM 1043 O GLN A 72 0.456 -16.780 -11.133 1.00 0.00 O ATOM 1044 CB GLN A 72 -2.185 -17.966 -9.621 1.00 0.00 C ATOM 1045 CG GLN A 72 -2.502 -19.052 -8.589 1.00 0.00 C ATOM 1046 CD GLN A 72 -3.778 -19.793 -8.982 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -3.988 -20.086 -10.159 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -4.645 -20.114 -8.061 1.00 0.00 N ATOM 0 H GLN A 72 -2.163 -16.408 -7.713 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.132 -17.932 -8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.020 -17.270 -9.700 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.050 -18.414 -10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.671 -19.754 -8.521 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.622 -18.604 -7.603 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.468 -19.870 -7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.500 -20.609 -8.316 1.00 0.00 H new ATOM 1057 N GLY A 73 -1.005 -15.194 -10.497 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.680 -14.254 -11.570 1.00 0.00 C ATOM 1059 C GLY A 73 -1.726 -14.300 -12.696 1.00 0.00 C ATOM 1060 O GLY A 73 -1.895 -13.319 -13.426 1.00 0.00 O ATOM 0 H GLY A 73 -1.727 -14.857 -9.860 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.624 -13.244 -11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.304 -14.490 -11.976 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.456 -15.429 -12.802 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.517 -15.566 -13.805 1.00 0.00 C ATOM 1066 C LYS A 74 -4.725 -16.309 -13.231 1.00 0.00 C ATOM 1067 O LYS A 74 -4.621 -17.475 -12.840 1.00 0.00 O ATOM 1068 CB LYS A 74 -2.996 -16.316 -15.045 1.00 0.00 C ATOM 1069 CG LYS A 74 -1.783 -15.579 -15.668 1.00 0.00 C ATOM 1070 CD LYS A 74 -2.218 -14.254 -16.334 1.00 0.00 C ATOM 1071 CE LYS A 74 -3.010 -14.541 -17.618 1.00 0.00 C ATOM 1072 NZ LYS A 74 -3.327 -13.256 -18.302 1.00 0.00 N ATOM 0 H LYS A 74 -2.328 -16.249 -12.209 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.828 -14.562 -14.095 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.707 -17.330 -14.767 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.793 -16.403 -15.784 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.042 -15.375 -14.895 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.304 -16.221 -16.407 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.830 -13.675 -15.643 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.341 -13.650 -16.566 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.430 -15.184 -18.280 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.930 -15.075 -17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.863 -13.449 -19.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.896 -12.657 -17.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.443 -12.763 -18.542 1.00 0.00 H new ATOM 1086 N SER A 75 -5.878 -15.636 -13.232 1.00 0.00 N ATOM 1087 CA SER A 75 -7.135 -16.234 -12.765 1.00 0.00 C ATOM 1088 C SER A 75 -8.163 -16.264 -13.895 1.00 0.00 C ATOM 1089 O SER A 75 -8.307 -15.279 -14.625 1.00 0.00 O ATOM 1090 CB SER A 75 -7.691 -15.441 -11.583 1.00 0.00 C ATOM 1091 OG SER A 75 -8.957 -15.974 -11.214 1.00 0.00 O ATOM 0 H SER A 75 -5.969 -14.672 -13.552 1.00 0.00 H new ATOM 0 HA SER A 75 -6.932 -17.256 -12.445 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.002 -15.492 -10.740 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.790 -14.389 -11.850 1.00 0.00 H new ATOM 0 HG SER A 75 -9.099 -15.844 -10.253 1.00 0.00 H new ATOM 1097 N TYR A 76 -8.895 -17.387 -14.027 1.00 0.00 N ATOM 1098 CA TYR A 76 -9.928 -17.498 -15.065 1.00 0.00 C ATOM 1099 C TYR A 76 -11.323 -17.355 -14.437 1.00 0.00 C ATOM 1100 O TYR A 76 -11.972 -18.348 -14.082 1.00 0.00 O ATOM 1101 CB TYR A 76 -9.802 -18.852 -15.787 1.00 0.00 C ATOM 1102 CG TYR A 76 -10.585 -18.824 -17.082 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -9.982 -18.336 -18.251 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -11.906 -19.287 -17.117 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -10.699 -18.312 -19.452 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -12.624 -19.262 -18.321 1.00 0.00 C ATOM 1107 CZ TYR A 76 -12.020 -18.774 -19.488 1.00 0.00 C ATOM 1108 OH TYR A 76 -12.726 -18.750 -20.675 1.00 0.00 O ATOM 0 H TYR A 76 -8.791 -18.213 -13.438 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.790 -16.698 -15.793 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.753 -19.068 -15.991 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.173 -19.651 -15.145 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.963 -17.979 -18.224 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.371 -19.663 -16.218 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.233 -17.937 -20.351 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.643 -19.619 -18.349 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.627 -19.106 -20.527 1.00 0.00 H new ATOM 1118 N LEU A 77 -11.771 -16.104 -14.311 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.083 -15.787 -13.738 1.00 0.00 C ATOM 1120 C LEU A 77 -13.727 -14.633 -14.494 1.00 0.00 C ATOM 1121 O LEU A 77 -13.019 -13.752 -14.998 1.00 0.00 O ATOM 1122 CB LEU A 77 -12.943 -15.422 -12.253 1.00 0.00 C ATOM 1123 CG LEU A 77 -12.536 -16.660 -11.435 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.123 -16.220 -10.032 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -13.725 -17.627 -11.321 1.00 0.00 C ATOM 0 H LEU A 77 -11.238 -15.284 -14.602 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.719 -16.668 -13.828 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.196 -14.637 -12.133 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.886 -15.024 -11.879 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.706 -17.161 -11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.833 -17.093 -9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.280 -15.533 -10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.961 -15.720 -9.546 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.429 -18.501 -10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.555 -17.126 -10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.035 -17.941 -12.318 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.070 -14.609 -14.536 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.782 -13.516 -15.189 1.00 0.00 C ATOM 1139 C TYR A 78 -16.284 -12.535 -14.134 1.00 0.00 C ATOM 1140 O TYR A 78 -17.353 -12.720 -13.564 1.00 0.00 O ATOM 1141 CB TYR A 78 -16.957 -14.069 -16.011 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.585 -12.961 -16.833 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -17.018 -12.590 -18.059 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.733 -12.306 -16.368 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.598 -11.568 -18.818 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.312 -11.284 -17.127 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.746 -10.914 -18.353 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.318 -9.906 -19.104 1.00 0.00 O ATOM 0 H TYR A 78 -15.670 -15.326 -14.130 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.105 -12.995 -15.865 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.608 -14.866 -16.667 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.702 -14.506 -15.346 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.133 -13.093 -18.418 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.171 -12.591 -15.423 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.160 -11.283 -19.763 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -20.197 -10.780 -16.767 1.00 0.00 H new ATOM 0 HH TYR A 78 -20.108 -9.559 -18.639 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.490 -11.495 -13.879 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.842 -10.482 -12.880 1.00 0.00 C ATOM 1160 C PHE A 79 -16.846 -9.490 -13.448 1.00 0.00 C ATOM 1161 O PHE A 79 -16.671 -8.998 -14.559 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.571 -9.732 -12.413 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.866 -10.489 -11.281 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -13.382 -11.793 -11.487 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.689 -9.872 -10.032 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -12.727 -12.469 -10.448 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -13.035 -10.552 -8.997 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.556 -11.849 -9.205 1.00 0.00 C ATOM 0 H PHE A 79 -14.600 -11.331 -14.349 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.296 -10.986 -12.027 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.888 -9.610 -13.254 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.840 -8.732 -12.073 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.515 -12.274 -12.445 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.058 -8.870 -9.869 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.354 -13.470 -10.607 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.901 -10.074 -8.038 1.00 0.00 H new ATOM 0 HZ PHE A 79 -12.053 -12.373 -8.405 1.00 0.00 H new ATOM 1178 N THR A 80 -17.894 -9.191 -12.669 1.00 0.00 N ATOM 1179 CA THR A 80 -18.905 -8.224 -13.096 1.00 0.00 C ATOM 1180 C THR A 80 -18.325 -6.811 -13.017 1.00 0.00 C ATOM 1181 O THR A 80 -18.481 -6.018 -13.938 1.00 0.00 O ATOM 1182 CB THR A 80 -20.167 -8.348 -12.215 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.670 -9.676 -12.306 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.255 -7.370 -12.692 1.00 0.00 C ATOM 0 H THR A 80 -18.060 -9.601 -11.750 1.00 0.00 H new ATOM 0 HA THR A 80 -19.191 -8.430 -14.128 1.00 0.00 H new ATOM 0 HB THR A 80 -19.902 -8.111 -11.185 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.471 -9.762 -11.747 1.00 0.00 H new ATOM 0 HG21 THR A 80 -22.137 -7.471 -12.060 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.879 -6.349 -12.630 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.521 -7.597 -13.725 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.607 -6.531 -11.915 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.937 -5.231 -11.710 1.00 0.00 C ATOM 1194 C GLN A 81 -16.332 -5.164 -10.322 1.00 0.00 C ATOM 1195 O GLN A 81 -16.642 -5.998 -9.462 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.900 -4.035 -11.924 1.00 0.00 C ATOM 1197 CG GLN A 81 -19.126 -4.168 -11.010 1.00 0.00 C ATOM 1198 CD GLN A 81 -20.088 -3.011 -11.256 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.707 -1.847 -11.125 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.322 -3.260 -11.604 1.00 0.00 N ATOM 0 H GLN A 81 -17.474 -7.190 -11.148 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.147 -5.155 -12.457 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.381 -3.100 -11.714 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.217 -3.997 -12.966 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.629 -5.116 -11.198 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.813 -4.175 -9.966 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.637 -4.224 -11.712 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.971 -2.490 -11.768 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.486 -4.154 -10.095 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.863 -3.963 -8.789 1.00 0.00 C ATOM 1211 C PHE A 82 -14.697 -2.483 -8.462 1.00 0.00 C ATOM 1212 O PHE A 82 -14.505 -1.659 -9.356 1.00 0.00 O ATOM 1213 CB PHE A 82 -13.501 -4.687 -8.720 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.575 -4.174 -9.813 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.749 -3.069 -9.574 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.553 -4.807 -11.062 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -10.901 -2.597 -10.585 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.705 -4.338 -12.070 1.00 0.00 C ATOM 1219 CZ PHE A 82 -10.880 -3.232 -11.834 1.00 0.00 C ATOM 0 H PHE A 82 -15.221 -3.462 -10.796 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.526 -4.399 -8.042 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -13.045 -4.527 -7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.646 -5.761 -8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.765 -2.581 -8.611 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.192 -5.658 -11.247 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.264 -1.744 -10.402 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.686 -4.829 -13.032 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.228 -2.868 -12.614 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.793 -2.163 -7.168 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.684 -0.772 -6.691 1.00 0.00 C ATOM 1231 C LYS A 83 -13.929 -0.769 -5.355 1.00 0.00 C ATOM 1232 O LYS A 83 -13.952 -1.774 -4.628 1.00 0.00 O ATOM 1233 CB LYS A 83 -16.099 -0.148 -6.490 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.994 -0.394 -7.732 1.00 0.00 C ATOM 1235 CD LYS A 83 -16.543 0.441 -8.931 1.00 0.00 C ATOM 1236 CE LYS A 83 -17.245 -0.111 -10.185 1.00 0.00 C ATOM 1237 NZ LYS A 83 -16.947 0.742 -11.362 1.00 0.00 N ATOM 0 H LYS A 83 -14.946 -2.847 -6.427 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.148 -0.179 -7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.569 -0.580 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -16.006 0.923 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.968 -1.451 -7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.028 -0.151 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.798 1.490 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.460 0.389 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.914 -1.132 -10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.322 -0.150 -10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.700 0.631 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.895 1.737 -11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -16.037 0.456 -11.776 1.00 0.00 H new ATOM 1251 N ALA A 84 -13.263 0.349 -5.030 1.00 0.00 N ATOM 1252 CA ALA A 84 -12.502 0.447 -3.776 1.00 0.00 C ATOM 1253 C ALA A 84 -12.625 1.831 -3.166 1.00 0.00 C ATOM 1254 O ALA A 84 -12.717 2.830 -3.885 1.00 0.00 O ATOM 1255 CB ALA A 84 -11.028 0.121 -4.027 1.00 0.00 C ATOM 0 H ALA A 84 -13.235 1.188 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.918 -0.275 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.474 0.197 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.941 -0.892 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.617 0.826 -4.750 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.637 1.880 -1.830 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.761 3.142 -1.108 1.00 0.00 C ATOM 1263 C GLU A 85 -12.160 3.020 0.289 1.00 0.00 C ATOM 1264 O GLU A 85 -11.991 1.918 0.787 1.00 0.00 O ATOM 1265 CB GLU A 85 -14.245 3.560 -1.033 1.00 0.00 C ATOM 1266 CG GLU A 85 -15.068 2.487 -0.280 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.528 2.926 -0.141 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.757 4.099 0.117 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -17.395 2.082 -0.296 1.00 0.00 O ATOM 0 H GLU A 85 -12.562 1.058 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.209 3.913 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.334 4.520 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.643 3.694 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.017 1.539 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.638 2.318 0.707 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.857 4.161 0.915 1.00 0.00 N ATOM 1277 CA VAL A 86 -11.287 4.171 2.272 1.00 0.00 C ATOM 1278 C VAL A 86 -12.078 5.094 3.179 1.00 0.00 C ATOM 1279 O VAL A 86 -12.826 5.955 2.698 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.806 4.603 2.256 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.982 3.604 1.432 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.665 6.004 1.631 1.00 0.00 C ATOM 0 H VAL A 86 -11.995 5.087 0.509 1.00 0.00 H new ATOM 0 HA VAL A 86 -11.346 3.153 2.658 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.441 4.627 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.937 3.914 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.063 2.612 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.360 3.576 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.615 6.296 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.041 5.986 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.239 6.723 2.216 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.902 4.924 4.496 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.604 5.768 5.466 1.00 0.00 C ATOM 1294 C ARG A 87 -11.679 6.234 6.587 1.00 0.00 C ATOM 1295 O ARG A 87 -10.695 5.562 6.920 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.847 5.031 6.027 1.00 0.00 C ATOM 1297 CG ARG A 87 -13.449 3.831 6.931 1.00 0.00 C ATOM 1298 CD ARG A 87 -13.445 4.277 8.382 1.00 0.00 C ATOM 1299 NE ARG A 87 -13.152 3.148 9.285 1.00 0.00 N ATOM 1300 CZ ARG A 87 -13.096 3.275 10.637 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -13.310 4.437 11.227 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -12.826 2.229 11.368 1.00 0.00 N ATOM 0 H ARG A 87 -11.289 4.220 4.908 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.944 6.663 4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -14.456 5.730 6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -14.462 4.675 5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.151 3.008 6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.463 3.460 6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.701 5.061 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.414 4.707 8.636 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.984 2.229 8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.522 5.262 10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.263 4.509 12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.659 1.326 10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.782 2.314 12.383 1.00 0.00 H new ATOM 1316 N GLY A 88 -12.017 7.389 7.171 1.00 0.00 N ATOM 1317 CA GLY A 88 -11.236 7.966 8.268 1.00 0.00 C ATOM 1318 C GLY A 88 -9.925 8.608 7.772 1.00 0.00 C ATOM 1319 O GLY A 88 -9.035 8.902 8.576 1.00 0.00 O ATOM 0 H GLY A 88 -12.829 7.943 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.835 8.717 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.005 7.188 8.996 1.00 0.00 H new ATOM 1323 N ALA A 89 -9.812 8.810 6.447 1.00 0.00 N ATOM 1324 CA ALA A 89 -8.614 9.399 5.854 1.00 0.00 C ATOM 1325 C ALA A 89 -8.896 9.931 4.459 1.00 0.00 C ATOM 1326 O ALA A 89 -9.952 9.655 3.880 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.492 8.368 5.797 1.00 0.00 C ATOM 0 H ALA A 89 -10.539 8.572 5.773 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.305 10.234 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.605 8.820 5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.259 8.027 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.809 7.519 5.191 1.00 0.00 H new ATOM 1333 N GLU A 90 -7.936 10.686 3.917 1.00 0.00 N ATOM 1334 CA GLU A 90 -8.062 11.255 2.576 1.00 0.00 C ATOM 1335 C GLU A 90 -7.193 10.482 1.583 1.00 0.00 C ATOM 1336 O GLU A 90 -6.096 10.033 1.925 1.00 0.00 O ATOM 1337 CB GLU A 90 -7.673 12.748 2.586 1.00 0.00 C ATOM 1338 CG GLU A 90 -6.208 12.925 3.059 1.00 0.00 C ATOM 1339 CD GLU A 90 -5.809 14.417 3.123 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -6.689 15.271 3.052 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -4.624 14.680 3.240 1.00 0.00 O ATOM 0 H GLU A 90 -7.062 10.917 4.389 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.102 11.171 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.792 13.167 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.343 13.300 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.085 12.472 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.539 12.397 2.379 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.713 10.306 0.364 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.005 9.552 -0.677 1.00 0.00 C ATOM 1350 C ILE A 91 -6.078 10.472 -1.472 1.00 0.00 C ATOM 1351 O ILE A 91 -6.524 11.468 -2.054 1.00 0.00 O ATOM 1352 CB ILE A 91 -8.021 8.853 -1.628 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -8.921 7.903 -0.805 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -7.262 8.027 -2.699 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -10.118 7.433 -1.652 1.00 0.00 C ATOM 0 H ILE A 91 -8.619 10.674 0.074 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.398 8.787 -0.193 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.629 9.612 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.343 7.042 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.278 8.413 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.980 7.541 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.622 8.689 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.650 7.270 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.743 6.765 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.705 8.297 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.755 6.904 -2.533 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.800 10.096 -1.530 1.00 0.00 N ATOM 1368 CA GLU A 92 -3.809 10.844 -2.299 1.00 0.00 C ATOM 1369 C GLU A 92 -3.869 10.430 -3.764 1.00 0.00 C ATOM 1370 O GLU A 92 -3.788 11.272 -4.663 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.403 10.579 -1.754 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.301 11.065 -0.308 1.00 0.00 C ATOM 1373 CD GLU A 92 -0.907 10.782 0.233 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.053 11.642 0.098 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.711 9.703 0.768 1.00 0.00 O ATOM 0 H GLU A 92 -4.428 9.276 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.032 11.907 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.180 9.513 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.663 11.089 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.511 12.133 -0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.049 10.564 0.307 1.00 0.00 H new ATOM 1382 N TYR A 93 -4.038 9.118 -3.994 1.00 0.00 N ATOM 1383 CA TYR A 93 -4.138 8.573 -5.344 1.00 0.00 C ATOM 1384 C TYR A 93 -4.482 7.083 -5.284 1.00 0.00 C ATOM 1385 O TYR A 93 -3.977 6.356 -4.422 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.804 8.778 -6.101 1.00 0.00 C ATOM 1387 CG TYR A 93 -3.061 9.094 -7.565 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -3.188 10.426 -7.974 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -3.171 8.060 -8.500 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -3.426 10.725 -9.319 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -3.409 8.360 -9.846 1.00 0.00 C ATOM 1392 CZ TYR A 93 -3.536 9.693 -10.256 1.00 0.00 C ATOM 1393 OH TYR A 93 -3.771 9.988 -11.582 1.00 0.00 O ATOM 0 H TYR A 93 -4.108 8.418 -3.255 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.930 9.098 -5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.241 9.590 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.192 7.880 -6.020 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.102 11.223 -7.251 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.072 7.032 -8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.525 11.753 -9.634 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.495 7.563 -10.569 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.819 9.157 -12.099 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.331 6.639 -6.210 1.00 0.00 N ATOM 1404 CA ALA A 94 -5.738 5.235 -6.282 1.00 0.00 C ATOM 1405 C ALA A 94 -5.749 4.763 -7.731 1.00 0.00 C ATOM 1406 O ALA A 94 -6.125 5.520 -8.633 1.00 0.00 O ATOM 1407 CB ALA A 94 -7.129 5.054 -5.668 1.00 0.00 C ATOM 0 H ALA A 94 -5.752 7.234 -6.924 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.021 4.637 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.420 4.005 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.109 5.366 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.850 5.662 -6.215 1.00 0.00 H new ATOM 1413 N MET A 95 -5.316 3.517 -7.950 1.00 0.00 N ATOM 1414 CA MET A 95 -5.258 2.952 -9.299 1.00 0.00 C ATOM 1415 C MET A 95 -5.212 1.424 -9.272 1.00 0.00 C ATOM 1416 O MET A 95 -4.970 0.817 -8.225 1.00 0.00 O ATOM 1417 CB MET A 95 -4.040 3.513 -10.064 1.00 0.00 C ATOM 1418 CG MET A 95 -2.737 3.124 -9.349 1.00 0.00 C ATOM 1419 SD MET A 95 -1.328 3.828 -10.238 1.00 0.00 S ATOM 1420 CE MET A 95 -1.583 5.546 -9.739 1.00 0.00 C ATOM 0 H MET A 95 -5.002 2.885 -7.214 1.00 0.00 H new ATOM 0 HA MET A 95 -6.170 3.245 -9.819 1.00 0.00 H new ATOM 0 HB2 MET A 95 -4.033 3.127 -11.083 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.114 4.598 -10.134 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.751 3.488 -8.322 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.646 2.039 -9.302 1.00 0.00 H new ATOM 0 HE1 MET A 95 -1.877 6.137 -10.606 1.00 0.00 H new ATOM 0 HE2 MET A 95 -2.368 5.593 -8.985 1.00 0.00 H new ATOM 0 HE3 MET A 95 -0.657 5.946 -9.325 1.00 0.00 H new ATOM 1430 N ALA A 96 -5.421 0.822 -10.441 1.00 0.00 N ATOM 1431 CA ALA A 96 -5.375 -0.630 -10.590 1.00 0.00 C ATOM 1432 C ALA A 96 -4.503 -0.999 -11.782 1.00 0.00 C ATOM 1433 O ALA A 96 -4.585 -0.358 -12.829 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.789 -1.182 -10.789 1.00 0.00 C ATOM 0 H ALA A 96 -5.626 1.323 -11.306 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.949 -1.066 -9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.744 -2.265 -10.899 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.403 -0.930 -9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.228 -0.744 -11.685 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.666 -2.032 -11.621 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.771 -2.467 -12.706 1.00 0.00 C ATOM 1442 C TYR A 97 -3.248 -3.771 -13.332 1.00 0.00 C ATOM 1443 O TYR A 97 -3.115 -4.843 -12.732 1.00 0.00 O ATOM 1444 CB TYR A 97 -1.347 -2.649 -12.182 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.725 -1.308 -11.864 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.848 -0.760 -10.583 1.00 0.00 C ATOM 1447 CD2 TYR A 97 -0.014 -0.619 -12.855 1.00 0.00 C ATOM 1448 CE1 TYR A 97 -0.258 0.478 -10.292 1.00 0.00 C ATOM 1449 CE2 TYR A 97 0.573 0.617 -12.564 1.00 0.00 C ATOM 1450 CZ TYR A 97 0.452 1.166 -11.284 1.00 0.00 C ATOM 1451 OH TYR A 97 1.036 2.383 -10.997 1.00 0.00 O ATOM 0 H TYR A 97 -3.588 -2.577 -10.762 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.783 -1.690 -13.470 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.359 -3.272 -11.288 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.743 -3.170 -12.925 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.397 -1.290 -9.819 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.081 -1.042 -13.844 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.351 0.901 -9.303 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.120 1.148 -13.329 1.00 0.00 H new ATOM 0 HH TYR A 97 0.526 2.832 -10.291 1.00 0.00 H new ATOM 1461 N SER A 98 -3.771 -3.673 -14.560 1.00 0.00 N ATOM 1462 CA SER A 98 -4.230 -4.851 -15.301 1.00 0.00 C ATOM 1463 C SER A 98 -3.066 -5.758 -15.656 1.00 0.00 C ATOM 1464 O SER A 98 -3.186 -6.987 -15.611 1.00 0.00 O ATOM 1465 CB SER A 98 -4.947 -4.430 -16.578 1.00 0.00 C ATOM 1466 OG SER A 98 -6.149 -3.767 -16.241 1.00 0.00 O ATOM 0 H SER A 98 -3.886 -2.791 -15.060 1.00 0.00 H new ATOM 0 HA SER A 98 -4.921 -5.398 -14.659 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.308 -3.772 -17.168 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.160 -5.304 -17.194 1.00 0.00 H new ATOM 0 HG SER A 98 -6.902 -4.387 -16.334 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.945 -5.140 -16.047 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.755 -5.886 -16.458 1.00 0.00 C ATOM 1474 C LYS A 99 0.499 -5.313 -15.809 1.00 0.00 C ATOM 1475 O LYS A 99 0.722 -4.098 -15.826 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.615 -5.848 -17.990 1.00 0.00 C ATOM 1477 CG LYS A 99 0.493 -6.818 -18.457 1.00 0.00 C ATOM 1478 CD LYS A 99 0.019 -8.282 -18.353 1.00 0.00 C ATOM 1479 CE LYS A 99 -1.002 -8.585 -19.460 1.00 0.00 C ATOM 1480 NZ LYS A 99 -1.339 -10.035 -19.436 1.00 0.00 N ATOM 0 H LYS A 99 -1.840 -4.126 -16.087 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.869 -6.919 -16.130 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.563 -6.119 -18.454 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.379 -4.834 -18.314 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.769 -6.593 -19.487 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.387 -6.676 -17.849 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.872 -8.956 -18.439 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.429 -8.459 -17.375 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.902 -7.988 -19.313 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.593 -8.311 -20.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.030 -10.243 -20.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.477 -10.594 -19.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.746 -10.282 -18.511 1.00 0.00 H new ATOM 1494 N ALA A 100 1.323 -6.205 -15.255 1.00 0.00 N ATOM 1495 CA ALA A 100 2.575 -5.812 -14.615 1.00 0.00 C ATOM 1496 C ALA A 100 3.740 -6.002 -15.576 1.00 0.00 C ATOM 1497 O ALA A 100 3.823 -7.025 -16.265 1.00 0.00 O ATOM 1498 CB ALA A 100 2.803 -6.642 -13.351 1.00 0.00 C ATOM 0 H ALA A 100 1.142 -7.209 -15.238 1.00 0.00 H new ATOM 0 HA ALA A 100 2.511 -4.759 -14.342 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.740 -6.341 -12.882 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.980 -6.479 -12.655 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.852 -7.699 -13.614 1.00 0.00 H new ATOM 1599 N ASP A 107 4.078 -2.436 -18.378 1.00 0.00 N ATOM 1600 CA ASP A 107 3.072 -2.299 -17.320 1.00 0.00 C ATOM 1601 C ASP A 107 1.909 -1.443 -17.808 1.00 0.00 C ATOM 1602 O ASP A 107 2.091 -0.254 -18.093 1.00 0.00 O ATOM 1603 CB ASP A 107 3.696 -1.656 -16.073 1.00 0.00 C ATOM 1604 CG ASP A 107 2.658 -1.543 -14.956 1.00 0.00 C ATOM 1605 OD1 ASP A 107 1.997 -0.520 -14.891 1.00 0.00 O ATOM 1606 OD2 ASP A 107 2.543 -2.479 -14.184 1.00 0.00 O ATOM 0 HA ASP A 107 2.703 -3.292 -17.063 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.542 -2.253 -15.733 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.082 -0.667 -16.320 1.00 0.00 H new ATOM 1611 N VAL A 108 0.715 -2.048 -17.908 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.467 -1.312 -18.372 1.00 0.00 C ATOM 1613 C VAL A 108 -1.391 -0.965 -17.164 1.00 0.00 C ATOM 1614 O VAL A 108 -2.086 -1.849 -16.656 1.00 0.00 O ATOM 1615 CB VAL A 108 -1.248 -2.175 -19.405 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.478 -1.410 -19.922 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.336 -2.510 -20.598 1.00 0.00 C ATOM 0 H VAL A 108 0.545 -3.027 -17.678 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.146 -0.385 -18.847 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.572 -3.092 -18.913 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.013 -2.027 -20.644 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.137 -1.174 -19.087 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.156 -0.486 -20.403 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.887 -3.114 -21.319 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.007 -1.587 -21.075 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.533 -3.067 -20.247 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.454 0.321 -16.724 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.358 0.742 -15.613 1.00 0.00 C ATOM 1629 C PRO A 109 -3.773 1.039 -16.110 1.00 0.00 C ATOM 1630 O PRO A 109 -3.970 1.357 -17.288 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.694 2.008 -15.094 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.114 2.645 -16.314 1.00 0.00 C ATOM 1633 CD PRO A 109 -0.671 1.494 -17.229 1.00 0.00 C ATOM 0 HA PRO A 109 -2.479 -0.033 -14.856 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.415 2.664 -14.607 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.922 1.780 -14.359 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.851 3.276 -16.811 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.270 3.284 -16.055 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.894 1.705 -18.275 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.403 1.318 -17.161 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.741 0.979 -15.194 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.137 1.291 -15.525 1.00 0.00 C ATOM 1643 C LEU A 110 -6.474 2.737 -15.171 1.00 0.00 C ATOM 1644 O LEU A 110 -5.940 3.291 -14.204 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.104 0.325 -14.819 1.00 0.00 C ATOM 1646 CG LEU A 110 -6.882 -1.130 -15.319 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.759 -2.103 -14.490 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -7.238 -1.251 -16.847 1.00 0.00 C ATOM 0 H LEU A 110 -4.587 0.718 -14.220 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.256 1.165 -16.601 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.952 0.372 -13.741 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.134 0.628 -15.009 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.831 -1.390 -15.190 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.603 -3.123 -14.841 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.483 -2.035 -13.438 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.809 -1.836 -14.607 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.076 -2.277 -17.178 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.283 -0.981 -17.000 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.602 -0.579 -17.423 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.318 3.358 -16.004 1.00 0.00 N ATOM 1661 CA LYS A 111 -7.681 4.766 -15.834 1.00 0.00 C ATOM 1662 C LYS A 111 -8.662 4.984 -14.679 1.00 0.00 C ATOM 1663 O LYS A 111 -9.428 4.088 -14.316 1.00 0.00 O ATOM 1664 CB LYS A 111 -8.257 5.340 -17.155 1.00 0.00 C ATOM 1665 CG LYS A 111 -9.637 4.720 -17.482 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.120 5.255 -18.837 1.00 0.00 C ATOM 1667 CE LYS A 111 -11.486 4.654 -19.178 1.00 0.00 C ATOM 1668 NZ LYS A 111 -11.347 3.183 -19.369 1.00 0.00 N ATOM 0 H LYS A 111 -7.762 2.905 -16.803 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.767 5.303 -15.579 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.352 6.423 -17.073 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -7.564 5.142 -17.973 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.563 3.633 -17.512 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.356 4.969 -16.701 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.189 6.342 -18.805 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.398 5.005 -19.615 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.197 4.862 -18.378 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.882 5.113 -20.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.024 2.861 -20.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.379 2.963 -19.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.541 2.696 -18.471 1.00 0.00 H new ATOM 1682 N THR A 112 -8.661 6.209 -14.163 1.00 0.00 N ATOM 1683 CA THR A 112 -9.576 6.618 -13.104 1.00 0.00 C ATOM 1684 C THR A 112 -11.026 6.593 -13.625 1.00 0.00 C ATOM 1685 O THR A 112 -11.944 6.239 -12.903 1.00 0.00 O ATOM 1686 CB THR A 112 -9.202 8.035 -12.610 1.00 0.00 C ATOM 1687 OG1 THR A 112 -7.862 8.022 -12.136 1.00 0.00 O ATOM 1688 CG2 THR A 112 -10.131 8.469 -11.464 1.00 0.00 C ATOM 0 H THR A 112 -8.025 6.946 -14.468 1.00 0.00 H new ATOM 0 HA THR A 112 -9.496 5.923 -12.268 1.00 0.00 H new ATOM 0 HB THR A 112 -9.307 8.736 -13.438 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.617 8.918 -11.823 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.853 9.468 -11.129 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.163 8.478 -11.816 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.037 7.769 -10.634 1.00 0.00 H new ATOM 1696 N GLU A 113 -11.201 7.016 -14.875 1.00 0.00 N ATOM 1697 CA GLU A 113 -12.517 7.107 -15.509 1.00 0.00 C ATOM 1698 C GLU A 113 -13.288 5.769 -15.463 1.00 0.00 C ATOM 1699 O GLU A 113 -14.502 5.753 -15.667 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.343 7.553 -16.959 1.00 0.00 C ATOM 1701 CG GLU A 113 -13.698 7.921 -17.562 1.00 0.00 C ATOM 1702 CD GLU A 113 -13.516 8.429 -18.989 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -13.071 7.655 -19.821 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -13.821 9.586 -19.229 1.00 0.00 O ATOM 0 H GLU A 113 -10.433 7.306 -15.480 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.106 7.836 -14.952 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.671 8.410 -17.006 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.882 6.754 -17.540 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.355 7.051 -17.558 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.180 8.687 -16.954 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.576 4.657 -15.228 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.207 3.329 -15.193 1.00 0.00 C ATOM 1713 C GLU A 114 -14.225 3.244 -14.038 1.00 0.00 C ATOM 1714 O GLU A 114 -15.287 2.635 -14.174 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.140 2.248 -15.006 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.729 0.869 -15.326 1.00 0.00 C ATOM 1717 CD GLU A 114 -12.855 0.665 -16.863 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -12.383 1.512 -17.614 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -13.406 -0.339 -17.258 1.00 0.00 O ATOM 0 H GLU A 114 -11.570 4.650 -15.060 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.727 3.171 -16.138 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.289 2.449 -15.657 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.769 2.265 -13.981 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.095 0.090 -14.902 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.709 0.770 -14.860 1.00 0.00 H new ATOM 1726 N PHE A 115 -13.878 3.872 -12.912 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.750 3.902 -11.706 1.00 0.00 C ATOM 1728 C PHE A 115 -14.489 5.176 -10.879 1.00 0.00 C ATOM 1729 O PHE A 115 -13.441 5.800 -11.018 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.528 2.637 -10.829 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.084 2.566 -10.369 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.718 3.123 -9.146 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.120 1.951 -11.176 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.386 3.068 -8.719 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.787 1.893 -10.752 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.420 2.452 -9.522 1.00 0.00 C ATOM 0 H PHE A 115 -12.997 4.373 -12.797 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.787 3.910 -12.041 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.192 2.663 -9.965 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.781 1.742 -11.398 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.463 3.598 -8.526 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.404 1.521 -12.125 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -11.104 3.501 -7.770 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.042 1.417 -11.373 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.392 2.408 -9.193 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.450 5.553 -10.022 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.312 6.768 -9.196 1.00 0.00 C ATOM 1748 C GLU A 116 -15.211 6.421 -7.704 1.00 0.00 C ATOM 1749 O GLU A 116 -16.033 5.669 -7.172 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.503 7.714 -9.453 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.336 9.034 -8.657 1.00 0.00 C ATOM 1752 CD GLU A 116 -15.086 9.811 -9.115 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -14.637 9.598 -10.237 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -14.599 10.611 -8.332 1.00 0.00 O ATOM 0 H GLU A 116 -16.322 5.043 -9.882 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.388 7.272 -9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.577 7.933 -10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.432 7.224 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.222 9.655 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.259 8.812 -7.593 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.202 7.000 -7.039 1.00 0.00 N ATOM 1762 CA VAL A 117 -13.988 6.787 -5.601 1.00 0.00 C ATOM 1763 C VAL A 117 -13.883 8.140 -4.885 1.00 0.00 C ATOM 1764 O VAL A 117 -13.103 9.008 -5.290 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.695 5.955 -5.361 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.483 5.705 -3.857 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -12.804 4.610 -6.080 1.00 0.00 C ATOM 0 H VAL A 117 -13.520 7.621 -7.475 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.836 6.233 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.847 6.518 -5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.574 5.122 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.390 6.660 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.335 5.156 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.896 4.031 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.663 4.060 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.931 4.778 -7.149 1.00 0.00 H new ATOM 1777 N THR A 118 -14.664 8.296 -3.817 1.00 0.00 N ATOM 1778 CA THR A 118 -14.661 9.524 -3.025 1.00 0.00 C ATOM 1779 C THR A 118 -14.568 9.192 -1.546 1.00 0.00 C ATOM 1780 O THR A 118 -14.910 8.080 -1.127 1.00 0.00 O ATOM 1781 CB THR A 118 -15.924 10.352 -3.296 1.00 0.00 C ATOM 1782 OG1 THR A 118 -16.117 10.474 -4.700 1.00 0.00 O ATOM 1783 CG2 THR A 118 -15.762 11.750 -2.687 1.00 0.00 C ATOM 0 H THR A 118 -15.310 7.583 -3.479 1.00 0.00 H new ATOM 0 HA THR A 118 -13.792 10.115 -3.315 1.00 0.00 H new ATOM 0 HB THR A 118 -16.784 9.855 -2.848 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.924 11.001 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.660 12.337 -2.880 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.610 11.663 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 118 -14.901 12.245 -3.136 1.00 0.00 H new ATOM 1791 N LYS A 119 -14.097 10.157 -0.764 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.942 9.977 0.679 1.00 0.00 C ATOM 1793 C LYS A 119 -15.262 9.579 1.355 1.00 0.00 C ATOM 1794 O LYS A 119 -15.249 9.061 2.478 1.00 0.00 O ATOM 1795 CB LYS A 119 -13.384 11.263 1.321 1.00 0.00 C ATOM 1796 CG LYS A 119 -14.350 12.448 1.083 1.00 0.00 C ATOM 1797 CD LYS A 119 -13.605 13.784 1.279 1.00 0.00 C ATOM 1798 CE LYS A 119 -13.519 14.123 2.774 1.00 0.00 C ATOM 1799 NZ LYS A 119 -12.443 13.311 3.408 1.00 0.00 N ATOM 0 H LYS A 119 -13.814 11.076 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 119 -13.236 9.161 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.242 11.111 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.406 11.493 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.761 12.396 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.191 12.387 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.603 13.717 0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.124 14.581 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.313 15.185 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.474 13.922 3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.901 13.906 4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.868 12.518 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -11.808 12.941 2.672 1.00 0.00 H new ATOM 1813 N THR A 120 -16.397 9.850 0.685 1.00 0.00 N ATOM 1814 CA THR A 120 -17.710 9.543 1.263 1.00 0.00 C ATOM 1815 C THR A 120 -18.729 9.026 0.221 1.00 0.00 C ATOM 1816 O THR A 120 -19.911 8.861 0.545 1.00 0.00 O ATOM 1817 CB THR A 120 -18.259 10.784 1.989 1.00 0.00 C ATOM 1818 OG1 THR A 120 -19.495 10.462 2.612 1.00 0.00 O ATOM 1819 CG2 THR A 120 -18.467 11.938 0.996 1.00 0.00 C ATOM 0 H THR A 120 -16.429 10.274 -0.242 1.00 0.00 H new ATOM 0 HA THR A 120 -17.566 8.730 1.974 1.00 0.00 H new ATOM 0 HB THR A 120 -17.538 11.097 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 120 -19.988 9.827 2.052 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.856 12.808 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.515 12.192 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 120 -19.178 11.633 0.228 1.00 0.00 H new ATOM 1827 N ALA A 121 -18.270 8.770 -1.022 1.00 0.00 N ATOM 1828 CA ALA A 121 -19.170 8.270 -2.077 1.00 0.00 C ATOM 1829 C ALA A 121 -18.430 7.431 -3.113 1.00 0.00 C ATOM 1830 O ALA A 121 -17.309 7.745 -3.499 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.875 9.441 -2.764 1.00 0.00 C ATOM 0 H ALA A 121 -17.301 8.899 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.907 7.626 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.538 9.061 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.458 9.996 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -19.132 10.101 -3.211 1.00 0.00 H new ATOM 1837 N VAL A 122 -19.097 6.372 -3.571 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.547 5.476 -4.586 1.00 0.00 C ATOM 1839 C VAL A 122 -19.581 5.253 -5.691 1.00 0.00 C ATOM 1840 O VAL A 122 -20.743 4.936 -5.405 1.00 0.00 O ATOM 1841 CB VAL A 122 -18.138 4.125 -3.948 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -17.564 3.180 -5.015 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -17.070 4.369 -2.880 1.00 0.00 C ATOM 0 H VAL A 122 -20.030 6.112 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.657 5.933 -5.019 1.00 0.00 H new ATOM 0 HB VAL A 122 -19.022 3.669 -3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -17.282 2.235 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -18.317 2.997 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -16.686 3.637 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -16.781 3.419 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -16.197 4.834 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -17.470 5.028 -2.110 1.00 0.00 H new ATOM 1853 N ALA A 123 -19.145 5.397 -6.946 1.00 0.00 N ATOM 1854 CA ALA A 123 -20.033 5.186 -8.083 1.00 0.00 C ATOM 1855 C ALA A 123 -19.270 4.658 -9.291 1.00 0.00 C ATOM 1856 O ALA A 123 -18.143 5.076 -9.557 1.00 0.00 O ATOM 1857 CB ALA A 123 -20.754 6.486 -8.445 1.00 0.00 C ATOM 0 H ALA A 123 -18.190 5.657 -7.195 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.771 4.438 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -21.413 6.312 -9.296 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -21.343 6.825 -7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -20.020 7.249 -8.705 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.904 3.739 -10.019 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.314 3.139 -11.206 1.00 0.00 C ATOM 1865 C HIS A 124 -19.425 4.066 -12.416 1.00 0.00 C ATOM 1866 O HIS A 124 -20.338 4.894 -12.502 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.982 1.777 -11.510 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.465 1.955 -11.774 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -22.382 2.129 -10.750 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -22.191 1.987 -12.938 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.598 2.257 -11.313 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.537 2.178 -12.645 1.00 0.00 N ATOM 0 H HIS A 124 -20.838 3.393 -9.800 1.00 0.00 H new ATOM 0 HA HIS A 124 -18.255 2.978 -11.005 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.506 1.318 -12.376 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.836 1.099 -10.669 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.780 1.880 -13.931 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.511 2.405 -10.756 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.311 2.244 -13.306 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.504 3.888 -13.356 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.481 4.658 -14.592 1.00 0.00 C ATOM 1882 C ARG A 125 -18.737 3.736 -15.800 1.00 0.00 C ATOM 1883 O ARG A 125 -18.491 2.528 -15.705 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.128 5.361 -14.741 1.00 0.00 C ATOM 1885 CG ARG A 125 -16.989 6.491 -13.697 1.00 0.00 C ATOM 1886 CD ARG A 125 -17.900 7.679 -14.073 1.00 0.00 C ATOM 1887 NE ARG A 125 -17.735 8.788 -13.113 1.00 0.00 N ATOM 1888 CZ ARG A 125 -18.470 8.905 -11.974 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -19.388 8.012 -11.653 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -18.266 9.923 -11.183 1.00 0.00 N ATOM 0 H ARG A 125 -17.751 3.204 -13.281 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.270 5.409 -14.555 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.321 4.640 -14.615 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -17.034 5.772 -15.746 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.256 6.117 -12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.952 6.821 -13.644 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -17.660 8.024 -15.079 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -18.941 7.355 -14.087 1.00 0.00 H new ATOM 0 HE ARG A 125 -17.035 9.502 -13.313 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -19.558 7.213 -12.264 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.927 8.121 -10.794 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -17.561 10.621 -11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -18.811 10.021 -10.327 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.215 4.268 -16.950 1.00 0.00 N ATOM 1905 CA PRO A 126 -19.469 3.425 -18.160 1.00 0.00 C ATOM 1906 C PRO A 126 -18.166 2.883 -18.725 1.00 0.00 C ATOM 1907 O PRO A 126 -17.111 3.512 -18.584 1.00 0.00 O ATOM 1908 CB PRO A 126 -20.136 4.390 -19.147 1.00 0.00 C ATOM 1909 CG PRO A 126 -19.677 5.746 -18.728 1.00 0.00 C ATOM 1910 CD PRO A 126 -19.554 5.695 -17.210 1.00 0.00 C ATOM 0 HA PRO A 126 -20.086 2.553 -17.944 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.840 4.172 -20.173 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.222 4.310 -19.105 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -18.721 5.995 -19.189 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -20.389 6.512 -19.037 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.778 6.367 -16.845 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.483 5.985 -16.720 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.236 1.694 -19.325 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.045 1.037 -19.869 1.00 0.00 C ATOM 1920 C GLY A 127 -16.272 0.251 -18.785 1.00 0.00 C ATOM 1921 O GLY A 127 -15.176 -0.253 -19.047 1.00 0.00 O ATOM 0 H GLY A 127 -19.101 1.167 -19.447 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -17.339 0.358 -20.669 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -16.388 1.786 -20.312 1.00 0.00 H new ATOM 1925 N ALA A 128 -16.854 0.149 -17.567 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.221 -0.569 -16.459 1.00 0.00 C ATOM 1927 C ALA A 128 -15.805 -1.974 -16.895 1.00 0.00 C ATOM 1928 O ALA A 128 -16.473 -2.599 -17.725 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.186 -0.663 -15.277 1.00 0.00 C ATOM 0 H ALA A 128 -17.760 0.558 -17.337 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.331 -0.018 -16.157 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.707 -1.199 -14.458 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.455 0.340 -14.946 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.085 -1.198 -15.583 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.674 -2.446 -16.357 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.135 -3.764 -16.718 1.00 0.00 C ATOM 1937 C PHE A 129 -15.020 -4.882 -16.205 1.00 0.00 C ATOM 1938 O PHE A 129 -15.630 -4.765 -15.137 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.714 -3.944 -16.177 1.00 0.00 C ATOM 1940 CG PHE A 129 -11.762 -3.063 -16.952 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.238 -1.910 -16.363 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.412 -3.401 -18.264 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -10.365 -1.094 -17.083 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.537 -2.584 -18.985 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.013 -1.430 -18.395 1.00 0.00 C ATOM 0 H PHE A 129 -14.115 -1.937 -15.672 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.108 -3.813 -17.807 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.682 -3.688 -15.118 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.411 -4.988 -16.262 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -11.509 -1.650 -15.350 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.818 -4.292 -18.719 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -9.961 -0.202 -16.627 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.266 -2.844 -19.998 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.337 -0.798 -18.952 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.070 -5.980 -16.970 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.869 -7.148 -16.589 1.00 0.00 C ATOM 1957 C LYS A 130 -15.025 -8.434 -16.731 1.00 0.00 C ATOM 1958 O LYS A 130 -14.485 -8.940 -15.743 1.00 0.00 O ATOM 1959 CB LYS A 130 -17.153 -7.237 -17.450 1.00 0.00 C ATOM 1960 CG LYS A 130 -18.010 -5.982 -17.245 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.279 -6.082 -18.096 1.00 0.00 C ATOM 1962 CE LYS A 130 -20.115 -4.806 -17.932 1.00 0.00 C ATOM 1963 NZ LYS A 130 -20.568 -4.682 -16.515 1.00 0.00 N ATOM 0 H LYS A 130 -14.568 -6.082 -17.852 1.00 0.00 H new ATOM 0 HA LYS A 130 -16.170 -7.041 -15.547 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.889 -7.339 -18.503 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.723 -8.125 -17.177 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -18.273 -5.877 -16.192 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.443 -5.093 -17.522 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -19.015 -6.223 -19.144 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.863 -6.952 -17.795 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -19.525 -3.934 -18.213 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.977 -4.836 -18.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -21.586 -4.468 -16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -20.391 -5.576 -16.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -20.043 -3.915 -16.049 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.848 -8.903 -17.981 1.00 0.00 N ATOM 1978 CA ALA A 131 -14.000 -10.070 -18.258 1.00 0.00 C ATOM 1979 C ALA A 131 -12.531 -9.777 -17.898 1.00 0.00 C ATOM 1980 O ALA A 131 -11.735 -10.697 -17.695 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.105 -10.461 -19.735 1.00 0.00 C ATOM 0 H ALA A 131 -15.280 -8.492 -18.809 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.350 -10.899 -17.642 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.472 -11.327 -19.928 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.140 -10.707 -19.974 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.778 -9.627 -20.356 1.00 0.00 H new ATOM 1987 N GLU A 132 -12.187 -8.481 -17.836 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.838 -8.035 -17.523 1.00 0.00 C ATOM 1989 C GLU A 132 -10.561 -8.154 -16.018 1.00 0.00 C ATOM 1990 O GLU A 132 -11.395 -7.775 -15.191 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.684 -6.566 -17.965 1.00 0.00 C ATOM 1992 CG GLU A 132 -10.182 -6.485 -19.420 1.00 0.00 C ATOM 1993 CD GLU A 132 -11.255 -6.995 -20.380 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -12.409 -6.640 -20.196 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -10.906 -7.732 -21.288 1.00 0.00 O ATOM 0 H GLU A 132 -12.844 -7.719 -18.003 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.122 -8.664 -18.053 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.641 -6.052 -17.876 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.984 -6.054 -17.305 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.924 -5.455 -19.666 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.273 -7.077 -19.532 1.00 0.00 H new ATOM 2002 N LEU A 133 -9.376 -8.684 -15.682 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.964 -8.858 -14.281 1.00 0.00 C ATOM 2004 C LEU A 133 -7.753 -7.979 -13.985 1.00 0.00 C ATOM 2005 O LEU A 133 -6.976 -7.668 -14.895 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.625 -10.339 -13.994 1.00 0.00 C ATOM 2007 CG LEU A 133 -9.829 -11.253 -14.325 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -9.400 -12.710 -14.201 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -10.980 -10.994 -13.341 1.00 0.00 C ATOM 0 H LEU A 133 -8.685 -9.000 -16.362 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.790 -8.561 -13.635 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -7.761 -10.640 -14.586 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.350 -10.457 -12.946 1.00 0.00 H new ATOM 0 HG LEU A 133 -10.165 -11.040 -15.340 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.244 -13.359 -14.433 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.586 -12.910 -14.898 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.062 -12.904 -13.183 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -11.821 -11.644 -13.585 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.644 -11.202 -12.325 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -11.293 -9.953 -13.414 1.00 0.00 H new ATOM 2021 N SER A 134 -7.620 -7.535 -12.722 1.00 0.00 N ATOM 2022 CA SER A 134 -6.527 -6.637 -12.348 1.00 0.00 C ATOM 2023 C SER A 134 -6.299 -6.615 -10.838 1.00 0.00 C ATOM 2024 O SER A 134 -7.053 -7.224 -10.073 1.00 0.00 O ATOM 2025 CB SER A 134 -6.838 -5.223 -12.851 1.00 0.00 C ATOM 2026 OG SER A 134 -5.775 -4.348 -12.512 1.00 0.00 O ATOM 0 H SER A 134 -8.249 -7.782 -11.958 1.00 0.00 H new ATOM 0 HA SER A 134 -5.612 -7.006 -12.811 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.981 -5.235 -13.932 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.769 -4.867 -12.410 1.00 0.00 H new ATOM 0 HG SER A 134 -5.899 -3.490 -12.970 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.272 -5.866 -10.423 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.943 -5.700 -9.009 1.00 0.00 C ATOM 2034 C LYS A 135 -5.152 -4.251 -8.611 1.00 0.00 C ATOM 2035 O LYS A 135 -5.095 -3.355 -9.460 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.481 -6.113 -8.720 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.506 -5.346 -9.643 1.00 0.00 C ATOM 2038 CD LYS A 135 -1.048 -5.487 -9.123 1.00 0.00 C ATOM 2039 CE LYS A 135 -0.674 -4.289 -8.227 1.00 0.00 C ATOM 2040 NZ LYS A 135 -1.158 -4.537 -6.838 1.00 0.00 N ATOM 0 H LYS A 135 -4.651 -5.362 -11.056 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.599 -6.346 -8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.239 -5.909 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.364 -7.186 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.576 -5.733 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.785 -4.293 -9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.945 -6.415 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.360 -5.547 -9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.406 -4.145 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -1.118 -3.374 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -0.613 -3.954 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -2.166 -4.289 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -1.033 -5.542 -6.601 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.447 -4.030 -7.333 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.734 -2.683 -6.831 1.00 0.00 C ATOM 2056 C LEU A 136 -4.660 -2.197 -5.874 1.00 0.00 C ATOM 2057 O LEU A 136 -4.172 -2.953 -5.037 1.00 0.00 O ATOM 2058 CB LEU A 136 -7.094 -2.672 -6.120 1.00 0.00 C ATOM 2059 CG LEU A 136 -8.232 -2.920 -7.126 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -9.518 -3.256 -6.363 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -8.478 -1.648 -7.958 1.00 0.00 C ATOM 0 H LEU A 136 -5.494 -4.762 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.753 -2.009 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.112 -3.439 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.243 -1.714 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.953 -3.745 -7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -10.326 -3.432 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.361 -4.152 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.782 -2.423 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.284 -1.828 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -8.755 -0.828 -7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.569 -1.386 -8.499 1.00 0.00 H new ATOM 2073 N VAL A 137 -4.347 -0.907 -5.976 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.387 -0.269 -5.085 1.00 0.00 C ATOM 2075 C VAL A 137 -3.869 1.146 -4.746 1.00 0.00 C ATOM 2076 O VAL A 137 -4.046 1.983 -5.637 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.977 -0.249 -5.732 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.996 0.543 -7.044 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.957 0.383 -4.767 1.00 0.00 C ATOM 0 H VAL A 137 -4.749 -0.281 -6.673 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.313 -0.840 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.686 -1.278 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.998 0.545 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.696 0.079 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.307 1.569 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.028 0.391 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.258 1.405 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.918 -0.199 -3.846 1.00 0.00 H new ATOM 2089 N ILE A 138 -4.118 1.380 -3.459 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.628 2.668 -2.986 1.00 0.00 C ATOM 2091 C ILE A 138 -3.677 3.280 -1.954 1.00 0.00 C ATOM 2092 O ILE A 138 -3.353 2.647 -0.943 1.00 0.00 O ATOM 2093 CB ILE A 138 -6.051 2.494 -2.366 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -7.022 1.876 -3.412 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.603 3.865 -1.912 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.881 0.349 -3.450 1.00 0.00 C ATOM 0 H ILE A 138 -3.974 0.691 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.695 3.343 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.973 1.828 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -8.049 2.145 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.813 2.290 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.596 3.733 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.937 4.296 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.666 4.534 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.570 -0.062 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.859 0.085 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -7.114 -0.062 -2.468 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.291 4.536 -2.192 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.440 5.275 -1.261 1.00 0.00 C ATOM 2110 C VAL A 139 -3.241 6.449 -0.697 1.00 0.00 C ATOM 2111 O VAL A 139 -3.743 7.286 -1.456 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.159 5.780 -1.983 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.259 6.554 -1.005 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.374 4.581 -2.539 1.00 0.00 C ATOM 0 H VAL A 139 -3.556 5.062 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.126 4.622 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.458 6.442 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.633 6.900 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.804 7.411 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 139 0.033 5.900 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.524 4.937 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -0.091 3.920 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.997 4.035 -3.247 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.384 6.481 0.631 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.161 7.526 1.293 1.00 0.00 C ATOM 2126 C ALA A 140 -3.402 8.116 2.465 1.00 0.00 C ATOM 2127 O ALA A 140 -2.653 7.414 3.151 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.507 6.969 1.768 1.00 0.00 C ATOM 0 H ALA A 140 -2.972 5.796 1.265 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.338 8.320 0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.075 7.759 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -6.069 6.597 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.336 6.154 2.471 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.608 9.411 2.687 1.00 0.00 N ATOM 2135 CA LYS A 141 -2.956 10.123 3.768 1.00 0.00 C ATOM 2136 C LYS A 141 -3.891 10.192 4.968 1.00 0.00 C ATOM 2137 O LYS A 141 -5.049 10.604 4.835 1.00 0.00 O ATOM 2138 CB LYS A 141 -2.612 11.537 3.307 1.00 0.00 C ATOM 2139 CG LYS A 141 -1.713 12.211 4.332 1.00 0.00 C ATOM 2140 CD LYS A 141 -1.363 13.619 3.849 1.00 0.00 C ATOM 2141 CE LYS A 141 -0.427 14.277 4.855 1.00 0.00 C ATOM 2142 NZ LYS A 141 -0.069 15.647 4.385 1.00 0.00 N ATOM 0 H LYS A 141 -4.230 9.989 2.122 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.043 9.600 4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.112 11.502 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -3.525 12.118 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.216 12.260 5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.804 11.627 4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.888 13.572 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -2.270 14.213 3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -0.907 14.331 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.474 13.676 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 0.570 16.094 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 0.406 15.584 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.933 16.219 4.292 1.00 0.00 H new ATOM 2156 N ALA A 142 -3.391 9.772 6.132 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.194 9.777 7.351 1.00 0.00 C ATOM 2158 C ALA A 142 -4.616 11.193 7.715 1.00 0.00 C ATOM 2159 O ALA A 142 -3.848 12.145 7.538 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.417 9.148 8.507 1.00 0.00 C ATOM 0 H ALA A 142 -2.439 9.426 6.254 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.091 9.185 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.031 9.160 9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.161 8.119 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.503 9.716 8.683 1.00 0.00 H new