USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 696 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 15 SER OG : rot -68:sc= 0.58 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.266 K(o=0.41,f=1.2) USER MOD Set 1.3: A 56 SER OG : rot 160:sc= 0.66 USER MOD Set 1.4: A 87 ASN : amide:sc= -0.327 K(o=0.41,f=1.2) USER MOD Set 1.5: A 89 MET CE :methyl 141:sc= -0.242 (180deg=-0.111) USER MOD Set 1.6: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 51 GLN : amide:sc= -0.155 X(o=-1,f=-1.1) USER MOD Set 2.2: A 53 ASN : amide:sc= -0.883 X(o=-1,f=-1.3) USER MOD Set 3.1: A 34 TYR OH : rot 61:sc= 1.13 USER MOD Set 3.2: A 40 SER OG : rot -27:sc= 0.58 USER MOD Single : A 10 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.959 USER MOD Single : A 12 TYR OH : rot -131:sc= 0.586 USER MOD Single : A 18 TYR OH : rot 104:sc= 1.19 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.547 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 78:sc= 0.265 USER MOD Single : A 33 MET CE :methyl -159:sc= -1.89 (180deg=-3.32) USER MOD Single : A 36 MET CE :methyl -177:sc= -0.674 (180deg=-0.693) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc=-0.000894 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 12:sc= 0.0258 USER MOD Single : A 61 THR OG1 : rot 140:sc= -0.178 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= -0.0275 (180deg=-0.191) USER MOD Single : A 76 CYS SG : rot -23:sc= -1.77! USER MOD Single : A 90 THR OG1 : rot 141:sc= 1.27 USER MOD Single : A 97 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.105 -3.064 -22.900 1.00 0.00 N ATOM 123 CA PHE A 9 0.023 -2.093 -23.922 1.00 0.00 C ATOM 124 C PHE A 9 -0.753 -2.615 -25.060 1.00 0.00 C ATOM 125 O PHE A 9 -0.539 -3.747 -25.501 1.00 0.00 O ATOM 126 CB PHE A 9 1.476 -1.818 -24.296 1.00 0.00 C ATOM 127 CG PHE A 9 2.158 -0.893 -23.337 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.450 -1.291 -22.048 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.493 0.394 -23.731 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.058 -0.424 -21.170 1.00 0.00 C ATOM 131 CE2 PHE A 9 3.104 1.262 -22.857 1.00 0.00 C ATOM 132 CZ PHE A 9 3.385 0.855 -21.575 1.00 0.00 C ATOM 0 HA PHE A 9 -0.354 -1.126 -23.589 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.021 -2.761 -24.334 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.513 -1.388 -25.297 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.199 -2.291 -21.726 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.271 0.718 -24.737 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.280 -0.744 -20.163 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.362 2.261 -23.177 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.861 1.535 -20.884 1.00 0.00 H new ATOM 142 N ASN A 10 -1.671 -1.847 -25.499 1.00 0.00 N ATOM 143 CA ASN A 10 -2.603 -2.289 -26.480 1.00 0.00 C ATOM 144 C ASN A 10 -2.056 -2.001 -27.829 1.00 0.00 C ATOM 145 O ASN A 10 -0.899 -1.628 -27.953 1.00 0.00 O ATOM 146 CB ASN A 10 -3.955 -1.614 -26.236 1.00 0.00 C ATOM 147 CG ASN A 10 -4.623 -2.130 -24.968 1.00 0.00 C ATOM 148 OD1 ASN A 10 -5.428 -3.055 -25.007 1.00 0.00 O ATOM 149 ND2 ASN A 10 -4.254 -1.577 -23.837 1.00 0.00 N ATOM 0 H ASN A 10 -1.806 -0.884 -25.191 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.762 -3.365 -26.411 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.815 -0.536 -26.160 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.609 -1.791 -27.090 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.639 -1.915 -22.955 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.582 -0.809 -23.840 1.00 0.00 H new ATOM 156 N THR A 11 -2.817 -2.203 -28.826 1.00 0.00 N ATOM 157 CA THR A 11 -2.360 -1.929 -30.113 1.00 0.00 C ATOM 158 C THR A 11 -3.503 -1.354 -30.945 1.00 0.00 C ATOM 159 O THR A 11 -4.561 -1.973 -31.156 1.00 0.00 O ATOM 160 CB THR A 11 -1.636 -3.167 -30.730 1.00 0.00 C ATOM 161 OG1 THR A 11 -0.979 -2.848 -31.964 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.558 -4.358 -30.912 1.00 0.00 C ATOM 0 H THR A 11 -3.770 -2.562 -28.769 1.00 0.00 H new ATOM 0 HA THR A 11 -1.589 -1.159 -30.092 1.00 0.00 H new ATOM 0 HB THR A 11 -0.875 -3.453 -30.004 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.537 -3.649 -32.316 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.999 -5.188 -31.344 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.961 -4.657 -29.945 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.377 -4.086 -31.578 1.00 0.00 H new ATOM 170 N TYR A 12 -3.315 -0.140 -31.335 1.00 0.00 N ATOM 171 CA TYR A 12 -4.290 0.606 -32.054 1.00 0.00 C ATOM 172 C TYR A 12 -3.795 0.937 -33.414 1.00 0.00 C ATOM 173 O TYR A 12 -2.611 0.869 -33.683 1.00 0.00 O ATOM 174 CB TYR A 12 -4.599 1.905 -31.343 1.00 0.00 C ATOM 175 CG TYR A 12 -5.328 1.788 -30.037 1.00 0.00 C ATOM 176 CD1 TYR A 12 -6.719 1.730 -29.991 1.00 0.00 C ATOM 177 CD2 TYR A 12 -4.628 1.793 -28.844 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.381 1.675 -28.772 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.275 1.755 -27.638 1.00 0.00 C ATOM 180 CZ TYR A 12 -6.646 1.696 -27.598 1.00 0.00 C ATOM 181 OH TYR A 12 -7.283 1.692 -26.373 1.00 0.00 O ATOM 0 H TYR A 12 -2.453 0.376 -31.157 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.188 -0.008 -32.119 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.660 2.430 -31.166 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.192 2.529 -32.012 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.286 1.728 -30.910 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.549 1.828 -28.864 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.459 1.616 -28.739 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.708 1.771 -26.719 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.911 2.401 -25.808 1.00 0.00 H new ATOM 191 N VAL A 13 -4.699 1.314 -34.231 1.00 0.00 N ATOM 192 CA VAL A 13 -4.464 1.727 -35.571 1.00 0.00 C ATOM 193 C VAL A 13 -5.128 3.066 -35.804 1.00 0.00 C ATOM 194 O VAL A 13 -6.274 3.276 -35.428 1.00 0.00 O ATOM 195 CB VAL A 13 -4.985 0.678 -36.593 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.078 1.257 -37.983 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.049 -0.490 -36.646 1.00 0.00 C ATOM 0 H VAL A 13 -5.685 1.347 -33.974 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.388 1.819 -35.721 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.977 0.370 -36.263 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.446 0.495 -38.671 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.764 2.104 -37.979 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.092 1.591 -38.305 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.420 -1.221 -37.364 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.060 -0.150 -36.953 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.985 -0.950 -35.660 1.00 0.00 H new ATOM 207 N VAL A 14 -4.421 3.953 -36.403 1.00 0.00 N ATOM 208 CA VAL A 14 -4.943 5.224 -36.723 1.00 0.00 C ATOM 209 C VAL A 14 -5.008 5.351 -38.211 1.00 0.00 C ATOM 210 O VAL A 14 -4.083 4.992 -38.914 1.00 0.00 O ATOM 211 CB VAL A 14 -4.147 6.391 -36.089 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.670 6.335 -36.452 1.00 0.00 C ATOM 213 CG2 VAL A 14 -4.759 7.744 -36.471 1.00 0.00 C ATOM 0 H VAL A 14 -3.452 3.812 -36.687 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.943 5.298 -36.296 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.216 6.280 -35.007 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.149 7.172 -35.987 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.243 5.398 -36.095 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.559 6.395 -37.535 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.181 8.547 -36.013 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.742 7.858 -37.555 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.789 7.790 -36.117 1.00 0.00 H new ATOM 223 N SER A 15 -6.112 5.762 -38.670 1.00 0.00 N ATOM 224 CA SER A 15 -6.330 5.953 -40.053 1.00 0.00 C ATOM 225 C SER A 15 -6.480 7.428 -40.332 1.00 0.00 C ATOM 226 O SER A 15 -7.377 8.074 -39.802 1.00 0.00 O ATOM 227 CB SER A 15 -7.545 5.134 -40.466 1.00 0.00 C ATOM 228 OG SER A 15 -7.247 3.754 -40.276 1.00 0.00 O ATOM 0 H SER A 15 -6.919 5.984 -38.087 1.00 0.00 H new ATOM 0 HA SER A 15 -5.485 5.607 -40.647 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.413 5.419 -39.872 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.795 5.327 -41.509 1.00 0.00 H new ATOM 0 HG SER A 15 -6.565 3.475 -40.922 1.00 0.00 H new ATOM 234 N PHE A 16 -5.557 7.967 -41.080 1.00 0.00 N ATOM 235 CA PHE A 16 -5.570 9.361 -41.408 1.00 0.00 C ATOM 236 C PHE A 16 -6.220 9.598 -42.718 1.00 0.00 C ATOM 237 O PHE A 16 -5.924 8.934 -43.707 1.00 0.00 O ATOM 238 CB PHE A 16 -4.178 9.972 -41.411 1.00 0.00 C ATOM 239 CG PHE A 16 -3.636 10.227 -40.051 1.00 0.00 C ATOM 240 CD1 PHE A 16 -2.951 9.253 -39.359 1.00 0.00 C ATOM 241 CD2 PHE A 16 -3.826 11.454 -39.458 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.470 9.507 -38.096 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.349 11.708 -38.205 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.671 10.736 -37.518 1.00 0.00 C ATOM 0 H PHE A 16 -4.774 7.449 -41.479 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.149 9.851 -40.625 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.499 9.306 -41.944 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.204 10.911 -41.964 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.791 8.285 -39.810 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.360 12.227 -39.991 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.934 8.739 -37.558 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.506 12.677 -37.754 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.296 10.936 -36.525 1.00 0.00 H new ATOM 254 N ASP A 17 -7.077 10.547 -42.729 1.00 0.00 N ATOM 255 CA ASP A 17 -7.780 10.900 -43.916 1.00 0.00 C ATOM 256 C ASP A 17 -7.570 12.322 -44.132 1.00 0.00 C ATOM 257 O ASP A 17 -7.743 13.141 -43.205 1.00 0.00 O ATOM 258 CB ASP A 17 -9.231 10.647 -43.773 1.00 0.00 C ATOM 259 CG ASP A 17 -9.955 10.616 -45.091 1.00 0.00 C ATOM 260 OD1 ASP A 17 -9.857 9.598 -45.804 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.665 11.581 -45.421 1.00 0.00 O ATOM 0 H ASP A 17 -7.317 11.109 -41.912 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.414 10.302 -44.751 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.380 9.696 -43.261 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.669 11.421 -43.142 1.00 0.00 H new ATOM 266 N TYR A 18 -7.188 12.634 -45.303 1.00 0.00 N ATOM 267 CA TYR A 18 -6.825 13.955 -45.643 1.00 0.00 C ATOM 268 C TYR A 18 -6.669 14.050 -47.150 1.00 0.00 C ATOM 269 O TYR A 18 -6.264 13.070 -47.789 1.00 0.00 O ATOM 270 CB TYR A 18 -5.513 14.329 -44.903 1.00 0.00 C ATOM 271 CG TYR A 18 -4.286 13.485 -45.280 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.449 13.847 -46.336 1.00 0.00 C ATOM 273 CD2 TYR A 18 -3.988 12.321 -44.585 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.365 13.068 -46.687 1.00 0.00 C ATOM 275 CE2 TYR A 18 -2.899 11.542 -44.922 1.00 0.00 C ATOM 276 CZ TYR A 18 -2.092 11.919 -45.977 1.00 0.00 C ATOM 277 OH TYR A 18 -1.029 11.124 -46.342 1.00 0.00 O ATOM 0 H TYR A 18 -7.115 11.968 -46.072 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.597 14.661 -45.336 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.288 15.377 -45.102 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.681 14.238 -43.830 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.653 14.752 -46.888 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.621 12.018 -43.764 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.734 13.358 -47.514 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.680 10.644 -44.364 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.287 11.263 -45.718 1.00 0.00 H new ATOM 287 N PRO A 19 -7.038 15.185 -47.746 1.00 0.00 N ATOM 288 CA PRO A 19 -6.869 15.403 -49.176 1.00 0.00 C ATOM 289 C PRO A 19 -5.395 15.492 -49.575 1.00 0.00 C ATOM 290 O PRO A 19 -4.522 15.799 -48.744 1.00 0.00 O ATOM 291 CB PRO A 19 -7.567 16.742 -49.435 1.00 0.00 C ATOM 292 CG PRO A 19 -7.619 17.418 -48.114 1.00 0.00 C ATOM 293 CD PRO A 19 -7.692 16.331 -47.084 1.00 0.00 C ATOM 0 HA PRO A 19 -7.282 14.579 -49.757 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.015 17.339 -50.161 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.568 16.592 -49.840 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.737 18.039 -47.961 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.487 18.075 -48.048 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.176 16.612 -46.166 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.723 16.103 -46.813 1.00 0.00 H new ATOM 301 N SER A 20 -5.136 15.305 -50.854 1.00 0.00 N ATOM 302 CA SER A 20 -3.789 15.295 -51.411 1.00 0.00 C ATOM 303 C SER A 20 -3.150 16.711 -51.409 1.00 0.00 C ATOM 304 O SER A 20 -2.011 16.901 -51.833 1.00 0.00 O ATOM 305 CB SER A 20 -3.862 14.737 -52.827 1.00 0.00 C ATOM 306 OG SER A 20 -4.633 13.530 -52.846 1.00 0.00 O ATOM 0 H SER A 20 -5.865 15.153 -51.551 1.00 0.00 H new ATOM 0 HA SER A 20 -3.151 14.667 -50.790 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.311 15.474 -53.493 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.857 14.541 -53.200 1.00 0.00 H new ATOM 0 HG SER A 20 -4.674 13.182 -53.761 1.00 0.00 H new ATOM 312 N SER A 21 -3.892 17.679 -50.919 1.00 0.00 N ATOM 313 CA SER A 21 -3.436 19.039 -50.829 1.00 0.00 C ATOM 314 C SER A 21 -2.525 19.200 -49.587 1.00 0.00 C ATOM 315 O SER A 21 -1.769 20.161 -49.469 1.00 0.00 O ATOM 316 CB SER A 21 -4.668 19.962 -50.748 1.00 0.00 C ATOM 317 OG SER A 21 -4.343 21.339 -50.864 1.00 0.00 O ATOM 0 H SER A 21 -4.840 17.537 -50.569 1.00 0.00 H new ATOM 0 HA SER A 21 -2.850 19.309 -51.707 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.368 19.693 -51.539 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.178 19.794 -49.799 1.00 0.00 H new ATOM 0 HG SER A 21 -5.162 21.874 -50.807 1.00 0.00 H new ATOM 323 N TYR A 22 -2.590 18.245 -48.658 1.00 0.00 N ATOM 324 CA TYR A 22 -1.755 18.328 -47.458 1.00 0.00 C ATOM 325 C TYR A 22 -0.732 17.220 -47.413 1.00 0.00 C ATOM 326 O TYR A 22 -0.125 16.992 -46.372 1.00 0.00 O ATOM 327 CB TYR A 22 -2.578 18.278 -46.175 1.00 0.00 C ATOM 328 CG TYR A 22 -3.625 19.338 -46.014 1.00 0.00 C ATOM 329 CD1 TYR A 22 -3.333 20.545 -45.407 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.910 19.115 -46.442 1.00 0.00 C ATOM 331 CE1 TYR A 22 -4.307 21.506 -45.239 1.00 0.00 C ATOM 332 CE2 TYR A 22 -5.891 20.061 -46.279 1.00 0.00 C ATOM 333 CZ TYR A 22 -5.585 21.256 -45.678 1.00 0.00 C ATOM 334 OH TYR A 22 -6.561 22.200 -45.504 1.00 0.00 O ATOM 0 H TYR A 22 -3.195 17.425 -48.709 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.250 19.292 -47.518 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.066 17.305 -46.119 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.895 18.341 -45.328 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.329 20.738 -45.060 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.154 18.176 -46.917 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.068 22.447 -44.766 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.897 19.866 -46.621 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.407 21.868 -45.871 1.00 0.00 H new ATOM 344 N SER A 23 -0.499 16.579 -48.530 1.00 0.00 N ATOM 345 CA SER A 23 0.434 15.473 -48.600 1.00 0.00 C ATOM 346 C SER A 23 1.834 15.886 -48.124 1.00 0.00 C ATOM 347 O SER A 23 2.396 15.248 -47.260 1.00 0.00 O ATOM 348 CB SER A 23 0.458 14.934 -50.019 1.00 0.00 C ATOM 349 OG SER A 23 -0.859 14.572 -50.419 1.00 0.00 O ATOM 0 H SER A 23 -0.948 16.805 -49.418 1.00 0.00 H new ATOM 0 HA SER A 23 0.103 14.682 -47.927 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.860 15.687 -50.697 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.117 14.068 -50.078 1.00 0.00 H new ATOM 0 HG SER A 23 -0.839 14.226 -51.336 1.00 0.00 H new ATOM 355 N SER A 24 2.319 17.030 -48.585 1.00 0.00 N ATOM 356 CA SER A 24 3.672 17.473 -48.238 1.00 0.00 C ATOM 357 C SER A 24 3.724 18.046 -46.811 1.00 0.00 C ATOM 358 O SER A 24 4.791 18.218 -46.225 1.00 0.00 O ATOM 359 CB SER A 24 4.128 18.513 -49.244 1.00 0.00 C ATOM 360 OG SER A 24 3.945 18.026 -50.569 1.00 0.00 O ATOM 0 H SER A 24 1.806 17.667 -49.195 1.00 0.00 H new ATOM 0 HA SER A 24 4.342 16.614 -48.269 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.564 19.435 -49.106 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.178 18.754 -49.079 1.00 0.00 H new ATOM 0 HG SER A 24 4.241 18.705 -51.211 1.00 0.00 H new ATOM 366 N VAL A 25 2.565 18.299 -46.265 1.00 0.00 N ATOM 367 CA VAL A 25 2.426 18.872 -44.942 1.00 0.00 C ATOM 368 C VAL A 25 2.392 17.767 -43.911 1.00 0.00 C ATOM 369 O VAL A 25 3.008 17.846 -42.845 1.00 0.00 O ATOM 370 CB VAL A 25 1.113 19.693 -44.853 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.811 20.086 -43.425 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.190 20.920 -45.739 1.00 0.00 C ATOM 0 H VAL A 25 1.676 18.112 -46.728 1.00 0.00 H new ATOM 0 HA VAL A 25 3.275 19.528 -44.751 1.00 0.00 H new ATOM 0 HB VAL A 25 0.298 19.062 -45.207 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.115 20.660 -43.394 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.702 19.189 -42.816 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.628 20.693 -43.034 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.260 21.483 -45.663 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.021 21.548 -45.419 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.345 20.613 -46.773 1.00 0.00 H new ATOM 382 N PHE A 26 1.730 16.716 -44.268 1.00 0.00 N ATOM 383 CA PHE A 26 1.498 15.619 -43.400 1.00 0.00 C ATOM 384 C PHE A 26 2.766 14.812 -43.169 1.00 0.00 C ATOM 385 O PHE A 26 2.898 14.111 -42.162 1.00 0.00 O ATOM 386 CB PHE A 26 0.376 14.770 -43.976 1.00 0.00 C ATOM 387 CG PHE A 26 0.401 13.361 -43.503 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.134 13.022 -42.280 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.020 12.383 -44.264 1.00 0.00 C ATOM 390 CE1 PHE A 26 -0.050 11.732 -41.826 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.099 11.094 -43.819 1.00 0.00 C ATOM 392 CZ PHE A 26 0.569 10.768 -42.601 1.00 0.00 C ATOM 0 H PHE A 26 1.327 16.598 -45.197 1.00 0.00 H new ATOM 0 HA PHE A 26 1.195 15.987 -42.420 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.582 15.218 -43.711 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.443 14.782 -45.064 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.621 13.775 -41.678 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.446 12.643 -45.222 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.466 11.468 -40.865 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.576 10.338 -44.424 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.634 9.751 -42.242 1.00 0.00 H new ATOM 402 N LEU A 27 3.715 14.940 -44.068 1.00 0.00 N ATOM 403 CA LEU A 27 4.965 14.208 -43.954 1.00 0.00 C ATOM 404 C LEU A 27 5.693 14.629 -42.683 1.00 0.00 C ATOM 405 O LEU A 27 6.499 13.897 -42.149 1.00 0.00 O ATOM 406 CB LEU A 27 5.859 14.453 -45.162 1.00 0.00 C ATOM 407 CG LEU A 27 5.205 14.311 -46.533 1.00 0.00 C ATOM 408 CD1 LEU A 27 6.221 14.477 -47.637 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.439 12.999 -46.663 1.00 0.00 C ATOM 0 H LEU A 27 3.649 15.543 -44.888 1.00 0.00 H new ATOM 0 HA LEU A 27 4.734 13.144 -43.911 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.271 15.459 -45.083 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.699 13.760 -45.111 1.00 0.00 H new ATOM 0 HG LEU A 27 4.474 15.113 -46.633 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.729 14.371 -48.604 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.676 15.465 -47.568 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.994 13.715 -47.538 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.989 12.937 -47.654 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.124 12.163 -46.523 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.656 12.958 -45.905 1.00 0.00 H new ATOM 421 N ARG A 28 5.345 15.797 -42.180 1.00 0.00 N ATOM 422 CA ARG A 28 5.928 16.285 -40.961 1.00 0.00 C ATOM 423 C ARG A 28 5.310 15.532 -39.791 1.00 0.00 C ATOM 424 O ARG A 28 5.999 15.072 -38.898 1.00 0.00 O ATOM 425 CB ARG A 28 5.682 17.786 -40.785 1.00 0.00 C ATOM 426 CG ARG A 28 6.026 18.642 -41.995 1.00 0.00 C ATOM 427 CD ARG A 28 7.429 18.383 -42.525 1.00 0.00 C ATOM 428 NE ARG A 28 8.497 18.659 -41.538 1.00 0.00 N ATOM 429 CZ ARG A 28 9.266 19.778 -41.519 1.00 0.00 C ATOM 430 NH1 ARG A 28 9.002 20.792 -42.342 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.273 19.876 -40.661 1.00 0.00 N ATOM 0 H ARG A 28 4.659 16.422 -42.603 1.00 0.00 H new ATOM 0 HA ARG A 28 7.005 16.123 -41.000 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.632 17.940 -40.537 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.265 18.137 -39.933 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.303 18.449 -42.787 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.933 19.695 -41.727 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.501 17.343 -42.844 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.594 19.000 -43.408 1.00 0.00 H new ATOM 0 HE ARG A 28 8.668 17.956 -40.819 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.218 20.731 -42.992 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.584 21.630 -42.322 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.470 19.111 -40.016 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.851 20.716 -40.647 1.00 0.00 H new ATOM 445 N LEU A 29 4.006 15.351 -39.874 1.00 0.00 N ATOM 446 CA LEU A 29 3.196 14.701 -38.847 1.00 0.00 C ATOM 447 C LEU A 29 3.563 13.220 -38.765 1.00 0.00 C ATOM 448 O LEU A 29 3.509 12.620 -37.693 1.00 0.00 O ATOM 449 CB LEU A 29 1.698 14.909 -39.219 1.00 0.00 C ATOM 450 CG LEU A 29 0.569 14.563 -38.197 1.00 0.00 C ATOM 451 CD1 LEU A 29 0.277 13.089 -38.142 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.889 15.084 -36.803 1.00 0.00 C ATOM 0 H LEU A 29 3.460 15.659 -40.679 1.00 0.00 H new ATOM 0 HA LEU A 29 3.381 15.133 -37.864 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.577 15.958 -39.488 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.507 14.325 -40.119 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.327 15.068 -38.558 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.515 12.902 -37.417 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.043 12.744 -39.125 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.177 12.551 -37.844 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.079 14.823 -36.122 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.818 14.635 -36.451 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.000 16.168 -36.836 1.00 0.00 H new ATOM 464 N ARG A 30 3.992 12.642 -39.888 1.00 0.00 N ATOM 465 CA ARG A 30 4.353 11.230 -39.885 1.00 0.00 C ATOM 466 C ARG A 30 5.622 11.023 -39.093 1.00 0.00 C ATOM 467 O ARG A 30 5.777 10.035 -38.394 1.00 0.00 O ATOM 468 CB ARG A 30 4.463 10.637 -41.290 1.00 0.00 C ATOM 469 CG ARG A 30 5.722 10.979 -42.057 1.00 0.00 C ATOM 470 CD ARG A 30 5.770 10.272 -43.398 1.00 0.00 C ATOM 471 NE ARG A 30 5.777 8.800 -43.241 1.00 0.00 N ATOM 472 CZ ARG A 30 5.925 7.905 -44.231 1.00 0.00 C ATOM 473 NH1 ARG A 30 6.095 8.312 -45.486 1.00 0.00 N ATOM 474 NH2 ARG A 30 5.923 6.603 -43.949 1.00 0.00 N ATOM 0 H ARG A 30 4.095 13.116 -40.785 1.00 0.00 H new ATOM 0 HA ARG A 30 3.541 10.688 -39.401 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.392 9.552 -41.212 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.604 10.971 -41.872 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.773 12.057 -42.212 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.595 10.700 -41.467 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.910 10.570 -43.997 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.661 10.584 -43.942 1.00 0.00 H new ATOM 0 HE ARG A 30 5.659 8.433 -42.297 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.114 9.309 -45.701 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.207 7.627 -46.234 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.809 6.290 -42.985 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.035 5.919 -44.697 1.00 0.00 H new ATOM 488 N SER A 31 6.497 11.988 -39.182 1.00 0.00 N ATOM 489 CA SER A 31 7.740 11.982 -38.425 1.00 0.00 C ATOM 490 C SER A 31 7.441 11.986 -36.924 1.00 0.00 C ATOM 491 O SER A 31 8.102 11.299 -36.146 1.00 0.00 O ATOM 492 CB SER A 31 8.592 13.183 -38.817 1.00 0.00 C ATOM 493 OG SER A 31 8.754 13.236 -40.229 1.00 0.00 O ATOM 0 H SER A 31 6.377 12.806 -39.780 1.00 0.00 H new ATOM 0 HA SER A 31 8.299 11.076 -38.657 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.122 14.101 -38.464 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.567 13.118 -38.335 1.00 0.00 H new ATOM 0 HG SER A 31 7.936 13.588 -40.639 1.00 0.00 H new ATOM 499 N LEU A 32 6.381 12.700 -36.547 1.00 0.00 N ATOM 500 CA LEU A 32 5.954 12.775 -35.147 1.00 0.00 C ATOM 501 C LEU A 32 5.510 11.412 -34.653 1.00 0.00 C ATOM 502 O LEU A 32 5.757 11.038 -33.514 1.00 0.00 O ATOM 503 CB LEU A 32 4.805 13.778 -34.961 1.00 0.00 C ATOM 504 CG LEU A 32 5.154 15.273 -34.780 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.970 15.487 -33.524 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.892 15.841 -35.968 1.00 0.00 C ATOM 0 H LEU A 32 5.800 13.236 -37.192 1.00 0.00 H new ATOM 0 HA LEU A 32 6.811 13.115 -34.566 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.148 13.693 -35.826 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.229 13.464 -34.091 1.00 0.00 H new ATOM 0 HG LEU A 32 4.206 15.804 -34.693 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.204 16.546 -33.418 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.399 15.153 -32.658 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.896 14.916 -33.590 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.113 16.893 -35.790 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.824 15.294 -36.113 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.273 15.746 -36.860 1.00 0.00 H new ATOM 518 N MET A 33 4.858 10.678 -35.528 1.00 0.00 N ATOM 519 CA MET A 33 4.360 9.349 -35.230 1.00 0.00 C ATOM 520 C MET A 33 5.480 8.421 -34.825 1.00 0.00 C ATOM 521 O MET A 33 5.406 7.766 -33.796 1.00 0.00 O ATOM 522 CB MET A 33 3.715 8.750 -36.451 1.00 0.00 C ATOM 523 CG MET A 33 2.635 9.557 -37.063 1.00 0.00 C ATOM 524 SD MET A 33 2.008 8.733 -38.515 1.00 0.00 S ATOM 525 CE MET A 33 0.795 9.895 -39.041 1.00 0.00 C ATOM 0 H MET A 33 4.655 10.989 -36.478 1.00 0.00 H new ATOM 0 HA MET A 33 3.644 9.454 -34.414 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.487 8.580 -37.201 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.309 7.774 -36.184 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.830 9.708 -36.344 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.013 10.544 -37.329 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.070 9.398 -39.685 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.285 10.307 -38.171 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.278 10.701 -39.594 1.00 0.00 H new ATOM 535 N TYR A 34 6.513 8.373 -35.641 1.00 0.00 N ATOM 536 CA TYR A 34 7.614 7.449 -35.413 1.00 0.00 C ATOM 537 C TYR A 34 8.502 7.937 -34.287 1.00 0.00 C ATOM 538 O TYR A 34 9.305 7.179 -33.733 1.00 0.00 O ATOM 539 CB TYR A 34 8.414 7.247 -36.681 1.00 0.00 C ATOM 540 CG TYR A 34 7.555 6.918 -37.885 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.668 5.835 -37.884 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.622 7.703 -39.018 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.881 5.572 -38.988 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.843 7.440 -40.120 1.00 0.00 C ATOM 545 CZ TYR A 34 5.978 6.380 -40.104 1.00 0.00 C ATOM 546 OH TYR A 34 5.190 6.131 -41.212 1.00 0.00 O ATOM 0 H TYR A 34 6.617 8.961 -36.468 1.00 0.00 H new ATOM 0 HA TYR A 34 7.195 6.487 -35.119 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.988 8.150 -36.888 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.132 6.442 -36.525 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.599 5.200 -37.013 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.301 8.542 -39.040 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.194 4.739 -38.979 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.914 8.068 -40.996 1.00 0.00 H new ATOM 0 HH TYR A 34 4.245 6.198 -40.963 1.00 0.00 H new ATOM 556 N ASP A 35 8.395 9.213 -33.992 1.00 0.00 N ATOM 557 CA ASP A 35 9.043 9.799 -32.825 1.00 0.00 C ATOM 558 C ASP A 35 8.333 9.293 -31.572 1.00 0.00 C ATOM 559 O ASP A 35 8.954 9.002 -30.534 1.00 0.00 O ATOM 560 CB ASP A 35 8.982 11.326 -32.899 1.00 0.00 C ATOM 561 CG ASP A 35 9.487 12.000 -31.652 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.727 12.111 -31.467 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.666 12.431 -30.831 1.00 0.00 O ATOM 0 H ASP A 35 7.859 9.878 -34.549 1.00 0.00 H new ATOM 0 HA ASP A 35 10.093 9.507 -32.794 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.570 11.666 -33.752 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.952 11.634 -33.079 1.00 0.00 H new ATOM 568 N MET A 36 7.041 9.144 -31.700 1.00 0.00 N ATOM 569 CA MET A 36 6.203 8.608 -30.665 1.00 0.00 C ATOM 570 C MET A 36 6.128 7.078 -30.803 1.00 0.00 C ATOM 571 O MET A 36 7.025 6.457 -31.377 1.00 0.00 O ATOM 572 CB MET A 36 4.814 9.267 -30.711 1.00 0.00 C ATOM 573 CG MET A 36 4.795 10.697 -30.186 1.00 0.00 C ATOM 574 SD MET A 36 3.146 11.443 -30.225 1.00 0.00 S ATOM 575 CE MET A 36 2.900 11.645 -31.988 1.00 0.00 C ATOM 0 H MET A 36 6.532 9.398 -32.547 1.00 0.00 H new ATOM 0 HA MET A 36 6.631 8.832 -29.688 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.454 9.263 -31.740 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.117 8.666 -30.127 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.168 10.707 -29.162 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.477 11.305 -30.780 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.947 12.143 -32.168 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.709 12.248 -32.401 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.894 10.667 -32.469 1.00 0.00 H new ATOM 585 N ASN A 37 5.079 6.478 -30.297 1.00 0.00 N ATOM 586 CA ASN A 37 4.977 5.015 -30.252 1.00 0.00 C ATOM 587 C ASN A 37 4.387 4.387 -31.493 1.00 0.00 C ATOM 588 O ASN A 37 4.185 3.171 -31.536 1.00 0.00 O ATOM 589 CB ASN A 37 4.209 4.559 -29.034 1.00 0.00 C ATOM 590 CG ASN A 37 5.053 4.565 -27.803 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.667 3.560 -27.453 1.00 0.00 O ATOM 592 ND2 ASN A 37 5.103 5.672 -27.133 1.00 0.00 N ATOM 0 H ASN A 37 4.275 6.969 -29.906 1.00 0.00 H new ATOM 0 HA ASN A 37 6.009 4.667 -30.195 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.347 5.209 -28.885 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.824 3.554 -29.204 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.666 5.729 -26.284 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.580 6.487 -27.454 1.00 0.00 H new ATOM 599 N PHE A 38 4.053 5.193 -32.464 1.00 0.00 N ATOM 600 CA PHE A 38 3.475 4.692 -33.706 1.00 0.00 C ATOM 601 C PHE A 38 4.482 3.861 -34.521 1.00 0.00 C ATOM 602 O PHE A 38 5.687 3.870 -34.261 1.00 0.00 O ATOM 603 CB PHE A 38 2.940 5.825 -34.559 1.00 0.00 C ATOM 604 CG PHE A 38 1.879 6.623 -33.885 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.219 7.683 -33.068 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.547 6.306 -34.050 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.260 8.413 -32.431 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.422 7.035 -33.408 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.056 8.091 -32.596 1.00 0.00 C ATOM 0 H PHE A 38 4.167 6.206 -32.430 1.00 0.00 H new ATOM 0 HA PHE A 38 2.649 4.040 -33.421 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.764 6.485 -34.831 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.541 5.414 -35.487 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.260 7.937 -32.932 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.265 5.481 -34.687 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.540 9.242 -31.799 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.465 6.785 -33.537 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.816 8.666 -32.088 1.00 0.00 H new ATOM 619 N SER A 39 3.982 3.133 -35.484 1.00 0.00 N ATOM 620 CA SER A 39 4.796 2.283 -36.331 1.00 0.00 C ATOM 621 C SER A 39 4.242 2.247 -37.761 1.00 0.00 C ATOM 622 O SER A 39 3.126 2.728 -38.013 1.00 0.00 O ATOM 623 CB SER A 39 4.782 0.876 -35.765 1.00 0.00 C ATOM 624 OG SER A 39 5.233 0.860 -34.406 1.00 0.00 O ATOM 0 H SER A 39 2.988 3.109 -35.710 1.00 0.00 H new ATOM 0 HA SER A 39 5.811 2.680 -36.358 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.772 0.469 -35.821 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.420 0.231 -36.370 1.00 0.00 H new ATOM 0 HG SER A 39 5.212 -0.059 -34.065 1.00 0.00 H new ATOM 630 N SER A 40 5.015 1.673 -38.678 1.00 0.00 N ATOM 631 CA SER A 40 4.608 1.519 -40.066 1.00 0.00 C ATOM 632 C SER A 40 4.173 0.078 -40.335 1.00 0.00 C ATOM 633 O SER A 40 3.496 -0.212 -41.341 1.00 0.00 O ATOM 634 CB SER A 40 5.776 1.821 -40.971 1.00 0.00 C ATOM 635 OG SER A 40 6.431 3.015 -40.587 1.00 0.00 O ATOM 0 H SER A 40 5.943 1.301 -38.476 1.00 0.00 H new ATOM 0 HA SER A 40 3.781 2.203 -40.257 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.483 0.992 -40.944 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.428 1.910 -42.000 1.00 0.00 H new ATOM 0 HG SER A 40 5.795 3.606 -40.133 1.00 0.00 H new ATOM 641 N ILE A 41 4.590 -0.813 -39.453 1.00 0.00 N ATOM 642 CA ILE A 41 4.309 -2.241 -39.539 1.00 0.00 C ATOM 643 C ILE A 41 3.725 -2.711 -38.209 1.00 0.00 C ATOM 644 O ILE A 41 4.078 -2.173 -37.150 1.00 0.00 O ATOM 645 CB ILE A 41 5.629 -3.083 -39.871 1.00 0.00 C ATOM 646 CG1 ILE A 41 5.986 -3.116 -41.367 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.607 -4.495 -39.316 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.443 -1.814 -41.946 1.00 0.00 C ATOM 0 H ILE A 41 5.147 -0.561 -38.636 1.00 0.00 H new ATOM 0 HA ILE A 41 3.598 -2.404 -40.349 1.00 0.00 H new ATOM 0 HB ILE A 41 6.415 -2.532 -39.354 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.770 -3.858 -41.520 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.113 -3.456 -41.924 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.534 -5.004 -39.581 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.510 -4.458 -38.231 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.761 -5.038 -39.737 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.669 -1.946 -43.004 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.655 -1.069 -41.833 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.338 -1.477 -41.423 1.00 0.00 H new ATOM 660 N VAL A 42 2.823 -3.662 -38.273 1.00 0.00 N ATOM 661 CA VAL A 42 2.264 -4.286 -37.096 1.00 0.00 C ATOM 662 C VAL A 42 1.857 -5.707 -37.482 1.00 0.00 C ATOM 663 O VAL A 42 1.568 -5.973 -38.658 1.00 0.00 O ATOM 664 CB VAL A 42 1.040 -3.488 -36.532 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.118 -3.552 -37.472 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.620 -3.981 -35.156 1.00 0.00 C ATOM 0 H VAL A 42 2.453 -4.028 -39.150 1.00 0.00 H new ATOM 0 HA VAL A 42 3.008 -4.299 -36.300 1.00 0.00 H new ATOM 0 HB VAL A 42 1.360 -2.451 -36.431 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.955 -2.990 -37.057 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.168 -3.121 -38.432 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.414 -4.591 -37.615 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.232 -3.398 -34.805 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.340 -5.033 -35.216 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.450 -3.866 -34.459 1.00 0.00 H new ATOM 676 N ALA A 43 1.916 -6.609 -36.543 1.00 0.00 N ATOM 677 CA ALA A 43 1.517 -7.972 -36.769 1.00 0.00 C ATOM 678 C ALA A 43 0.006 -8.074 -36.915 1.00 0.00 C ATOM 679 O ALA A 43 -0.754 -7.461 -36.148 1.00 0.00 O ATOM 680 CB ALA A 43 2.004 -8.870 -35.641 1.00 0.00 C ATOM 0 H ALA A 43 2.243 -6.420 -35.596 1.00 0.00 H new ATOM 0 HA ALA A 43 1.975 -8.309 -37.699 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.691 -9.896 -35.832 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.092 -8.827 -35.585 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.578 -8.531 -34.697 1.00 0.00 H new ATOM 686 N ASP A 44 -0.407 -8.839 -37.902 1.00 0.00 N ATOM 687 CA ASP A 44 -1.819 -9.106 -38.198 1.00 0.00 C ATOM 688 C ASP A 44 -2.310 -10.175 -37.204 1.00 0.00 C ATOM 689 O ASP A 44 -1.618 -10.487 -36.226 1.00 0.00 O ATOM 690 CB ASP A 44 -1.901 -9.673 -39.633 1.00 0.00 C ATOM 691 CG ASP A 44 -3.248 -9.512 -40.324 1.00 0.00 C ATOM 692 OD1 ASP A 44 -4.243 -10.119 -39.879 1.00 0.00 O ATOM 693 OD2 ASP A 44 -3.305 -8.811 -41.349 1.00 0.00 O ATOM 0 H ASP A 44 0.234 -9.308 -38.541 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.425 -8.204 -38.114 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.139 -9.186 -40.242 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.653 -10.734 -39.601 1.00 0.00 H new ATOM 698 N GLU A 45 -3.446 -10.775 -37.460 1.00 0.00 N ATOM 699 CA GLU A 45 -3.967 -11.814 -36.576 1.00 0.00 C ATOM 700 C GLU A 45 -3.166 -13.085 -36.810 1.00 0.00 C ATOM 701 O GLU A 45 -3.038 -13.947 -35.939 1.00 0.00 O ATOM 702 CB GLU A 45 -5.452 -12.091 -36.845 1.00 0.00 C ATOM 703 CG GLU A 45 -5.725 -12.743 -38.189 1.00 0.00 C ATOM 704 CD GLU A 45 -7.170 -13.063 -38.400 1.00 0.00 C ATOM 705 OE1 GLU A 45 -7.911 -12.218 -38.927 1.00 0.00 O ATOM 706 OE2 GLU A 45 -7.588 -14.185 -38.056 1.00 0.00 O ATOM 0 H GLU A 45 -4.034 -10.570 -38.268 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.874 -11.477 -35.544 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.840 -12.734 -36.055 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.002 -11.152 -36.790 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.386 -12.079 -38.984 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.140 -13.660 -38.267 1.00 0.00 H new ATOM 713 N TYR A 46 -2.596 -13.161 -38.004 1.00 0.00 N ATOM 714 CA TYR A 46 -1.822 -14.299 -38.428 1.00 0.00 C ATOM 715 C TYR A 46 -0.395 -14.165 -37.912 1.00 0.00 C ATOM 716 O TYR A 46 0.417 -15.088 -38.024 1.00 0.00 O ATOM 717 CB TYR A 46 -1.808 -14.388 -39.958 1.00 0.00 C ATOM 718 CG TYR A 46 -3.174 -14.293 -40.602 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.096 -15.327 -40.511 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.531 -13.157 -41.307 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.342 -15.224 -41.106 1.00 0.00 C ATOM 722 CE2 TYR A 46 -4.770 -13.042 -41.904 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.674 -14.077 -41.800 1.00 0.00 C ATOM 724 OH TYR A 46 -6.914 -13.970 -42.405 1.00 0.00 O ATOM 0 H TYR A 46 -2.663 -12.424 -38.705 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.273 -15.205 -38.024 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.178 -13.590 -40.351 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.346 -15.331 -40.251 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.838 -16.224 -39.968 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.826 -12.344 -41.392 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.050 -16.036 -41.028 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.029 -12.147 -42.449 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.987 -13.100 -42.850 1.00 0.00 H new ATOM 734 N GLY A 47 -0.098 -13.009 -37.353 1.00 0.00 N ATOM 735 CA GLY A 47 1.230 -12.745 -36.861 1.00 0.00 C ATOM 736 C GLY A 47 2.146 -12.269 -37.958 1.00 0.00 C ATOM 737 O GLY A 47 3.357 -12.289 -37.817 1.00 0.00 O ATOM 0 H GLY A 47 -0.759 -12.242 -37.230 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.184 -11.993 -36.074 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.639 -13.651 -36.413 1.00 0.00 H new ATOM 741 N ILE A 48 1.568 -11.850 -39.057 1.00 0.00 N ATOM 742 CA ILE A 48 2.336 -11.359 -40.166 1.00 0.00 C ATOM 743 C ILE A 48 2.512 -9.860 -40.035 1.00 0.00 C ATOM 744 O ILE A 48 1.536 -9.143 -39.826 1.00 0.00 O ATOM 745 CB ILE A 48 1.716 -11.750 -41.569 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.137 -13.167 -41.979 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.114 -10.771 -42.674 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.680 -14.268 -41.065 1.00 0.00 C ATOM 0 H ILE A 48 0.559 -11.841 -39.204 1.00 0.00 H new ATOM 0 HA ILE A 48 3.313 -11.842 -40.133 1.00 0.00 H new ATOM 0 HB ILE A 48 0.634 -11.707 -41.448 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.753 -13.366 -42.979 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.225 -13.200 -42.043 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.664 -11.083 -43.616 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.764 -9.771 -42.418 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.199 -10.760 -42.777 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.031 -15.227 -41.446 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.086 -14.104 -40.067 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.591 -14.273 -41.018 1.00 0.00 H new ATOM 760 N PRO A 49 3.753 -9.384 -40.078 1.00 0.00 N ATOM 761 CA PRO A 49 4.046 -7.960 -40.028 1.00 0.00 C ATOM 762 C PRO A 49 3.550 -7.264 -41.309 1.00 0.00 C ATOM 763 O PRO A 49 4.153 -7.378 -42.382 1.00 0.00 O ATOM 764 CB PRO A 49 5.577 -7.903 -39.924 1.00 0.00 C ATOM 765 CG PRO A 49 6.058 -9.212 -40.448 1.00 0.00 C ATOM 766 CD PRO A 49 4.977 -10.208 -40.166 1.00 0.00 C ATOM 0 HA PRO A 49 3.554 -7.451 -39.199 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.980 -7.075 -40.507 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.895 -7.752 -38.893 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.259 -9.151 -41.517 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.990 -9.504 -39.964 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.902 -10.952 -40.959 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.163 -10.748 -39.238 1.00 0.00 H new ATOM 774 N ARG A 50 2.422 -6.634 -41.195 1.00 0.00 N ATOM 775 CA ARG A 50 1.766 -5.958 -42.295 1.00 0.00 C ATOM 776 C ARG A 50 2.163 -4.496 -42.313 1.00 0.00 C ATOM 777 O ARG A 50 2.498 -3.932 -41.269 1.00 0.00 O ATOM 778 CB ARG A 50 0.266 -6.013 -42.062 1.00 0.00 C ATOM 779 CG ARG A 50 -0.329 -7.402 -42.003 1.00 0.00 C ATOM 780 CD ARG A 50 -0.528 -7.991 -43.376 1.00 0.00 C ATOM 781 NE ARG A 50 -1.953 -8.272 -43.611 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.543 -8.357 -44.809 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.809 -8.397 -45.917 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.864 -8.448 -44.887 1.00 0.00 N ATOM 0 H ARG A 50 1.910 -6.568 -40.315 1.00 0.00 H new ATOM 0 HA ARG A 50 2.049 -6.438 -43.232 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.041 -5.499 -41.127 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.229 -5.457 -42.858 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.325 -8.052 -41.421 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.286 -7.364 -41.483 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.157 -7.300 -44.133 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.051 -8.909 -43.472 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.542 -8.414 -42.790 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.791 -8.363 -45.856 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.264 -8.462 -46.828 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.426 -8.453 -44.036 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.318 -8.513 -45.798 1.00 0.00 H new ATOM 798 N GLN A 51 2.130 -3.889 -43.477 1.00 0.00 N ATOM 799 CA GLN A 51 2.337 -2.461 -43.590 1.00 0.00 C ATOM 800 C GLN A 51 1.037 -1.759 -43.381 1.00 0.00 C ATOM 801 O GLN A 51 -0.018 -2.229 -43.787 1.00 0.00 O ATOM 802 CB GLN A 51 2.890 -2.057 -44.940 1.00 0.00 C ATOM 803 CG GLN A 51 4.384 -2.146 -45.066 1.00 0.00 C ATOM 804 CD GLN A 51 5.087 -0.805 -44.938 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.106 -0.578 -45.567 1.00 0.00 O ATOM 806 NE2 GLN A 51 4.641 0.026 -44.043 1.00 0.00 N ATOM 0 H GLN A 51 1.961 -4.363 -44.364 1.00 0.00 H new ATOM 0 HA GLN A 51 3.068 -2.180 -42.831 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.438 -2.688 -45.705 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.583 -1.032 -45.150 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.765 -2.821 -44.300 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.633 -2.587 -46.031 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.786 -0.187 -43.530 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.147 0.891 -43.854 1.00 0.00 H new ATOM 815 N LEU A 52 1.127 -0.663 -42.754 1.00 0.00 N ATOM 816 CA LEU A 52 -0.018 0.149 -42.423 1.00 0.00 C ATOM 817 C LEU A 52 -0.194 1.240 -43.423 1.00 0.00 C ATOM 818 O LEU A 52 -1.268 1.842 -43.534 1.00 0.00 O ATOM 819 CB LEU A 52 0.281 0.742 -41.074 1.00 0.00 C ATOM 820 CG LEU A 52 0.564 -0.318 -40.041 1.00 0.00 C ATOM 821 CD1 LEU A 52 1.137 0.261 -38.808 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.692 -1.086 -39.746 1.00 0.00 C ATOM 0 H LEU A 52 2.014 -0.272 -42.436 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.934 -0.441 -42.420 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.139 1.409 -41.153 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.565 1.348 -40.749 1.00 0.00 H new ATOM 0 HG LEU A 52 1.310 -1.002 -40.446 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.327 -0.534 -38.087 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.072 0.768 -39.045 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.434 0.977 -38.381 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.483 -1.852 -38.999 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.454 -0.405 -39.365 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.052 -1.559 -40.659 1.00 0.00 H new ATOM 834 N ASN A 53 0.856 1.471 -44.174 1.00 0.00 N ATOM 835 CA ASN A 53 0.959 2.611 -45.081 1.00 0.00 C ATOM 836 C ASN A 53 0.086 2.514 -46.325 1.00 0.00 C ATOM 837 O ASN A 53 0.551 2.334 -47.453 1.00 0.00 O ATOM 838 CB ASN A 53 2.419 2.982 -45.394 1.00 0.00 C ATOM 839 CG ASN A 53 3.271 3.183 -44.133 1.00 0.00 C ATOM 840 OD1 ASN A 53 4.481 2.990 -44.148 1.00 0.00 O ATOM 841 ND2 ASN A 53 2.647 3.503 -43.019 1.00 0.00 N ATOM 0 H ASN A 53 1.680 0.869 -44.179 1.00 0.00 H new ATOM 0 HA ASN A 53 0.535 3.448 -44.527 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.864 2.197 -46.005 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.436 3.896 -45.987 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.171 3.594 -42.149 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.639 3.660 -43.026 1.00 0.00 H new ATOM 848 N GLU A 54 -1.175 2.528 -46.044 1.00 0.00 N ATOM 849 CA GLU A 54 -2.247 2.642 -46.964 1.00 0.00 C ATOM 850 C GLU A 54 -2.760 4.041 -46.737 1.00 0.00 C ATOM 851 O GLU A 54 -2.745 4.899 -47.623 1.00 0.00 O ATOM 852 CB GLU A 54 -3.318 1.628 -46.595 1.00 0.00 C ATOM 853 CG GLU A 54 -2.817 0.214 -46.643 1.00 0.00 C ATOM 854 CD GLU A 54 -2.575 -0.276 -48.043 1.00 0.00 C ATOM 855 OE1 GLU A 54 -3.553 -0.485 -48.786 1.00 0.00 O ATOM 856 OE2 GLU A 54 -1.407 -0.477 -48.424 1.00 0.00 O ATOM 0 H GLU A 54 -1.504 2.453 -45.082 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.960 2.462 -48.000 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.688 1.844 -45.593 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.163 1.733 -47.276 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.890 0.143 -46.074 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.541 -0.439 -46.155 1.00 0.00 H new ATOM 863 N ASN A 55 -3.175 4.251 -45.497 1.00 0.00 N ATOM 864 CA ASN A 55 -3.493 5.567 -44.937 1.00 0.00 C ATOM 865 C ASN A 55 -3.544 5.426 -43.432 1.00 0.00 C ATOM 866 O ASN A 55 -4.045 6.290 -42.715 1.00 0.00 O ATOM 867 CB ASN A 55 -4.829 6.150 -45.470 1.00 0.00 C ATOM 868 CG ASN A 55 -6.148 5.576 -44.893 1.00 0.00 C ATOM 869 OD1 ASN A 55 -7.128 6.304 -44.761 1.00 0.00 O ATOM 870 ND2 ASN A 55 -6.214 4.301 -44.607 1.00 0.00 N ATOM 0 H ASN A 55 -3.305 3.492 -44.828 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.719 6.270 -45.245 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.823 7.224 -45.287 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.848 6.011 -46.551 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.088 3.899 -44.269 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.391 3.709 -44.722 1.00 0.00 H new ATOM 877 N SER A 56 -2.937 4.368 -42.943 1.00 0.00 N ATOM 878 CA SER A 56 -3.075 4.038 -41.581 1.00 0.00 C ATOM 879 C SER A 56 -1.721 3.810 -40.966 1.00 0.00 C ATOM 880 O SER A 56 -0.711 3.713 -41.680 1.00 0.00 O ATOM 881 CB SER A 56 -3.941 2.791 -41.432 1.00 0.00 C ATOM 882 OG SER A 56 -5.152 2.902 -42.183 1.00 0.00 O ATOM 0 H SER A 56 -2.348 3.735 -43.484 1.00 0.00 H new ATOM 0 HA SER A 56 -3.559 4.865 -41.062 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.383 1.917 -41.767 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.177 2.634 -40.380 1.00 0.00 H new ATOM 0 HG SER A 56 -5.522 2.008 -42.341 1.00 0.00 H new ATOM 888 N PHE A 57 -1.692 3.783 -39.662 1.00 0.00 N ATOM 889 CA PHE A 57 -0.507 3.528 -38.892 1.00 0.00 C ATOM 890 C PHE A 57 -0.960 2.846 -37.612 1.00 0.00 C ATOM 891 O PHE A 57 -2.151 2.819 -37.344 1.00 0.00 O ATOM 892 CB PHE A 57 0.225 4.827 -38.555 1.00 0.00 C ATOM 893 CG PHE A 57 0.537 5.701 -39.743 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.709 5.527 -40.453 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.366 6.670 -40.169 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.982 6.305 -41.562 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.099 7.442 -41.282 1.00 0.00 C ATOM 898 CZ PHE A 57 1.080 7.259 -41.978 1.00 0.00 C ATOM 0 H PHE A 57 -2.520 3.943 -39.088 1.00 0.00 H new ATOM 0 HA PHE A 57 0.186 2.906 -39.458 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.381 5.397 -37.851 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.158 4.581 -38.047 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.419 4.776 -40.139 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.286 6.820 -39.623 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.905 6.164 -42.104 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.810 8.187 -41.608 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.294 7.863 -42.847 1.00 0.00 H new ATOM 908 N ALA A 58 -0.052 2.318 -36.835 1.00 0.00 N ATOM 909 CA ALA A 58 -0.419 1.603 -35.621 1.00 0.00 C ATOM 910 C ALA A 58 0.400 2.079 -34.482 1.00 0.00 C ATOM 911 O ALA A 58 1.407 2.733 -34.686 1.00 0.00 O ATOM 912 CB ALA A 58 -0.266 0.091 -35.779 1.00 0.00 C ATOM 0 H ALA A 58 0.951 2.365 -37.013 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.471 1.809 -35.425 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.550 -0.403 -34.850 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.910 -0.257 -36.587 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.771 -0.147 -36.013 1.00 0.00 H new ATOM 918 N ILE A 59 -0.025 1.761 -33.295 1.00 0.00 N ATOM 919 CA ILE A 59 0.658 2.162 -32.112 1.00 0.00 C ATOM 920 C ILE A 59 0.379 1.174 -30.974 1.00 0.00 C ATOM 921 O ILE A 59 -0.725 0.658 -30.850 1.00 0.00 O ATOM 922 CB ILE A 59 0.235 3.594 -31.717 1.00 0.00 C ATOM 923 CG1 ILE A 59 1.019 4.053 -30.510 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.275 3.673 -31.448 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.931 5.519 -30.282 1.00 0.00 C ATOM 0 H ILE A 59 -0.866 1.209 -33.125 1.00 0.00 H new ATOM 0 HA ILE A 59 1.731 2.161 -32.304 1.00 0.00 H new ATOM 0 HB ILE A 59 0.456 4.259 -32.552 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.653 3.531 -29.626 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.065 3.773 -30.635 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.543 4.693 -31.172 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.820 3.385 -32.347 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.535 2.997 -30.634 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.515 5.786 -29.401 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.324 6.047 -31.151 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.110 5.801 -30.126 1.00 0.00 H new ATOM 937 N THR A 60 1.371 0.920 -30.161 1.00 0.00 N ATOM 938 CA THR A 60 1.245 -0.015 -29.061 1.00 0.00 C ATOM 939 C THR A 60 0.916 0.732 -27.742 1.00 0.00 C ATOM 940 O THR A 60 1.271 0.297 -26.650 1.00 0.00 O ATOM 941 CB THR A 60 2.551 -0.863 -28.903 1.00 0.00 C ATOM 942 OG1 THR A 60 2.333 -1.946 -27.970 1.00 0.00 O ATOM 943 CG2 THR A 60 3.720 -0.005 -28.411 1.00 0.00 C ATOM 0 H THR A 60 2.291 1.353 -30.238 1.00 0.00 H new ATOM 0 HA THR A 60 0.422 -0.694 -29.284 1.00 0.00 H new ATOM 0 HB THR A 60 2.803 -1.264 -29.885 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.374 -2.033 -27.789 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.611 -0.626 -28.312 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.912 0.794 -29.127 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.471 0.428 -27.442 1.00 0.00 H new ATOM 951 N THR A 61 0.163 1.784 -27.850 1.00 0.00 N ATOM 952 CA THR A 61 -0.136 2.599 -26.708 1.00 0.00 C ATOM 953 C THR A 61 -1.266 1.939 -25.864 1.00 0.00 C ATOM 954 O THR A 61 -1.934 1.007 -26.321 1.00 0.00 O ATOM 955 CB THR A 61 -0.542 4.018 -27.164 1.00 0.00 C ATOM 956 OG1 THR A 61 -0.474 4.906 -26.081 1.00 0.00 O ATOM 957 CG2 THR A 61 -1.955 4.025 -27.729 1.00 0.00 C ATOM 0 H THR A 61 -0.259 2.101 -28.723 1.00 0.00 H new ATOM 0 HA THR A 61 0.753 2.683 -26.082 1.00 0.00 H new ATOM 0 HB THR A 61 0.150 4.333 -27.945 1.00 0.00 H new ATOM 0 HG1 THR A 61 -0.101 5.761 -26.382 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.216 5.036 -28.043 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.007 3.354 -28.586 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.655 3.690 -26.963 1.00 0.00 H new ATOM 965 N SER A 62 -1.464 2.402 -24.655 1.00 0.00 N ATOM 966 CA SER A 62 -2.460 1.836 -23.800 1.00 0.00 C ATOM 967 C SER A 62 -3.569 2.838 -23.429 1.00 0.00 C ATOM 968 O SER A 62 -4.512 2.489 -22.709 1.00 0.00 O ATOM 969 CB SER A 62 -1.791 1.268 -22.561 1.00 0.00 C ATOM 970 OG SER A 62 -0.926 2.214 -21.953 1.00 0.00 O ATOM 0 H SER A 62 -0.941 3.175 -24.245 1.00 0.00 H new ATOM 0 HA SER A 62 -2.957 1.035 -24.347 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.553 0.958 -21.845 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.224 0.376 -22.829 1.00 0.00 H new ATOM 0 HG SER A 62 -0.514 1.816 -21.158 1.00 0.00 H new ATOM 976 N LEU A 63 -3.454 4.079 -23.887 1.00 0.00 N ATOM 977 CA LEU A 63 -4.492 5.054 -23.650 1.00 0.00 C ATOM 978 C LEU A 63 -5.698 4.836 -24.558 1.00 0.00 C ATOM 979 O LEU A 63 -5.706 3.920 -25.394 1.00 0.00 O ATOM 980 CB LEU A 63 -3.977 6.506 -23.695 1.00 0.00 C ATOM 981 CG LEU A 63 -2.854 6.824 -24.671 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.991 8.229 -25.208 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.525 6.713 -23.949 1.00 0.00 C ATOM 0 H LEU A 63 -2.656 4.425 -24.420 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.832 4.893 -22.627 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.821 7.155 -23.930 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.638 6.774 -22.694 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.906 6.119 -25.500 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.177 8.434 -25.904 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.945 8.329 -25.726 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.950 8.940 -24.383 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.715 6.939 -24.642 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.501 7.420 -23.119 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.402 5.700 -23.566 1.00 0.00 H new ATOM 995 N ALA A 64 -6.711 5.643 -24.389 1.00 0.00 N ATOM 996 CA ALA A 64 -7.926 5.474 -25.137 1.00 0.00 C ATOM 997 C ALA A 64 -7.808 6.099 -26.493 1.00 0.00 C ATOM 998 O ALA A 64 -6.905 6.899 -26.744 1.00 0.00 O ATOM 999 CB ALA A 64 -9.107 6.051 -24.397 1.00 0.00 C ATOM 0 H ALA A 64 -6.718 6.427 -23.737 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.091 4.404 -25.260 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.012 5.908 -24.988 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.217 5.546 -23.437 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.947 7.116 -24.230 1.00 0.00 H new ATOM 1005 N ALA A 65 -8.738 5.766 -27.344 1.00 0.00 N ATOM 1006 CA ALA A 65 -8.766 6.225 -28.717 1.00 0.00 C ATOM 1007 C ALA A 65 -8.757 7.736 -28.817 1.00 0.00 C ATOM 1008 O ALA A 65 -7.922 8.313 -29.517 1.00 0.00 O ATOM 1009 CB ALA A 65 -9.958 5.629 -29.447 1.00 0.00 C ATOM 0 H ALA A 65 -9.518 5.154 -27.103 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.853 5.878 -29.200 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.967 5.982 -30.478 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.884 4.542 -29.437 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.879 5.935 -28.951 1.00 0.00 H new ATOM 1015 N SER A 66 -9.619 8.373 -28.073 1.00 0.00 N ATOM 1016 CA SER A 66 -9.706 9.813 -28.103 1.00 0.00 C ATOM 1017 C SER A 66 -8.489 10.464 -27.430 1.00 0.00 C ATOM 1018 O SER A 66 -8.215 11.646 -27.623 1.00 0.00 O ATOM 1019 CB SER A 66 -11.024 10.261 -27.494 1.00 0.00 C ATOM 1020 OG SER A 66 -12.100 9.661 -28.213 1.00 0.00 O ATOM 0 H SER A 66 -10.274 7.919 -27.436 1.00 0.00 H new ATOM 0 HA SER A 66 -9.688 10.150 -29.140 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.069 9.975 -26.443 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.106 11.347 -27.533 1.00 0.00 H new ATOM 0 HG SER A 66 -12.953 9.946 -27.823 1.00 0.00 H new ATOM 1026 N GLU A 67 -7.715 9.668 -26.705 1.00 0.00 N ATOM 1027 CA GLU A 67 -6.535 10.172 -26.077 1.00 0.00 C ATOM 1028 C GLU A 67 -5.417 10.169 -27.084 1.00 0.00 C ATOM 1029 O GLU A 67 -4.615 11.097 -27.124 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.151 9.357 -24.857 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.140 9.419 -23.725 1.00 0.00 C ATOM 1032 CD GLU A 67 -6.665 8.687 -22.496 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -6.920 7.474 -22.373 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.032 9.304 -21.627 1.00 0.00 O ATOM 0 H GLU A 67 -7.895 8.677 -26.547 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.729 11.187 -25.731 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.026 8.316 -25.156 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.183 9.703 -24.495 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.330 10.462 -23.471 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.088 8.993 -24.053 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.381 9.124 -27.931 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.379 9.056 -28.991 1.00 0.00 C ATOM 1043 C ILE A 68 -4.589 10.238 -29.911 1.00 0.00 C ATOM 1044 O ILE A 68 -3.638 10.874 -30.355 1.00 0.00 O ATOM 1045 CB ILE A 68 -4.467 7.788 -29.874 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -4.926 6.576 -29.080 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.113 7.528 -30.515 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -4.762 5.262 -29.785 1.00 0.00 C ATOM 0 H ILE A 68 -6.024 8.333 -27.898 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.409 9.046 -28.493 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.213 7.960 -30.650 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.370 6.541 -28.143 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.977 6.705 -28.822 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.171 6.635 -31.138 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.832 8.382 -31.130 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.364 7.379 -29.737 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.116 4.457 -29.141 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.341 5.270 -30.708 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.709 5.103 -30.019 1.00 0.00 H new ATOM 1060 N GLU A 69 -5.863 10.531 -30.179 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.237 11.667 -30.995 1.00 0.00 C ATOM 1062 C GLU A 69 -5.644 12.944 -30.436 1.00 0.00 C ATOM 1063 O GLU A 69 -4.976 13.672 -31.151 1.00 0.00 O ATOM 1064 CB GLU A 69 -7.754 11.800 -31.104 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.412 10.690 -31.880 1.00 0.00 C ATOM 1066 CD GLU A 69 -9.913 10.821 -31.925 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -10.420 11.688 -32.664 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -10.621 10.066 -31.230 1.00 0.00 O ATOM 0 H GLU A 69 -6.653 9.986 -29.835 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.838 11.498 -31.995 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.179 11.829 -30.101 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.992 12.752 -31.579 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.022 10.683 -32.898 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.148 9.733 -31.431 1.00 0.00 H new ATOM 1075 N ASP A 70 -5.847 13.174 -29.144 1.00 0.00 N ATOM 1076 CA ASP A 70 -5.331 14.374 -28.464 1.00 0.00 C ATOM 1077 C ASP A 70 -3.827 14.471 -28.592 1.00 0.00 C ATOM 1078 O ASP A 70 -3.292 15.542 -28.896 1.00 0.00 O ATOM 1079 CB ASP A 70 -5.754 14.398 -26.996 1.00 0.00 C ATOM 1080 CG ASP A 70 -5.246 15.615 -26.233 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -5.826 16.726 -26.395 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -4.292 15.482 -25.425 1.00 0.00 O ATOM 0 H ASP A 70 -6.369 12.544 -28.535 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.766 15.245 -28.955 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.842 14.373 -26.940 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.389 13.495 -26.507 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.169 13.334 -28.432 1.00 0.00 N ATOM 1088 CA LEU A 71 -1.724 13.223 -28.580 1.00 0.00 C ATOM 1089 C LEU A 71 -1.288 13.719 -29.938 1.00 0.00 C ATOM 1090 O LEU A 71 -0.417 14.562 -30.051 1.00 0.00 O ATOM 1091 CB LEU A 71 -1.270 11.764 -28.416 1.00 0.00 C ATOM 1092 CG LEU A 71 -0.637 11.371 -27.087 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -1.624 11.496 -25.945 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.075 9.964 -27.180 1.00 0.00 C ATOM 0 H LEU A 71 -3.626 12.454 -28.194 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.266 13.835 -27.803 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.135 11.122 -28.580 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.555 11.543 -29.208 1.00 0.00 H new ATOM 0 HG LEU A 71 0.181 12.060 -26.876 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.139 11.208 -25.012 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.967 12.528 -25.872 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.477 10.842 -26.128 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.376 9.689 -26.227 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.878 9.266 -27.416 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.681 9.925 -27.964 1.00 0.00 H new ATOM 1106 N ILE A 72 -1.948 13.239 -30.952 1.00 0.00 N ATOM 1107 CA ILE A 72 -1.593 13.561 -32.313 1.00 0.00 C ATOM 1108 C ILE A 72 -1.934 15.009 -32.635 1.00 0.00 C ATOM 1109 O ILE A 72 -1.137 15.731 -33.240 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.337 12.622 -33.276 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -1.881 11.189 -33.040 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.111 13.028 -34.730 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -2.880 10.168 -33.474 1.00 0.00 C ATOM 0 H ILE A 72 -2.748 12.613 -30.864 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.518 13.429 -32.432 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.407 12.696 -33.080 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.946 11.021 -33.574 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.671 11.053 -31.979 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.650 12.345 -35.386 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.475 14.044 -34.885 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.046 12.986 -34.958 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.489 9.170 -33.276 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.809 10.310 -32.922 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.072 10.278 -34.541 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.091 15.447 -32.189 1.00 0.00 N ATOM 1126 CA ARG A 73 -3.555 16.774 -32.517 1.00 0.00 C ATOM 1127 C ARG A 73 -2.718 17.857 -31.827 1.00 0.00 C ATOM 1128 O ARG A 73 -2.549 18.942 -32.369 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.067 16.939 -32.257 1.00 0.00 C ATOM 1130 CG ARG A 73 -5.915 15.855 -32.935 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.406 16.160 -32.916 1.00 0.00 C ATOM 1132 NE ARG A 73 -7.735 17.327 -33.743 1.00 0.00 N ATOM 1133 CZ ARG A 73 -8.812 17.445 -34.545 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -9.720 16.477 -34.619 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -8.971 18.548 -35.261 1.00 0.00 N ATOM 0 H ARG A 73 -3.724 14.905 -31.601 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.413 16.908 -33.589 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.250 16.916 -31.183 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.386 17.918 -32.614 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.587 15.740 -33.968 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.740 14.901 -32.437 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.959 15.292 -33.276 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.727 16.340 -31.890 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.092 18.118 -33.708 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.608 15.629 -34.064 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.529 16.582 -35.231 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.282 19.298 -35.202 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.782 18.647 -35.871 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.125 17.547 -30.673 1.00 0.00 N ATOM 1150 CA LEU A 74 -1.295 18.537 -30.005 1.00 0.00 C ATOM 1151 C LEU A 74 0.106 18.573 -30.640 1.00 0.00 C ATOM 1152 O LEU A 74 0.862 19.517 -30.461 1.00 0.00 O ATOM 1153 CB LEU A 74 -1.275 18.336 -28.457 1.00 0.00 C ATOM 1154 CG LEU A 74 -0.521 17.127 -27.873 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.950 17.448 -27.672 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -1.147 16.686 -26.565 1.00 0.00 C ATOM 0 H LEU A 74 -2.202 16.648 -30.198 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.737 19.522 -30.155 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.849 19.236 -28.013 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.310 18.274 -28.119 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.597 16.308 -28.588 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.459 16.577 -27.259 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.399 17.710 -28.630 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.049 18.287 -26.983 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.599 15.831 -26.170 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.107 17.506 -25.848 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.186 16.404 -26.736 1.00 0.00 H new ATOM 1168 N LYS A 75 0.424 17.541 -31.428 1.00 0.00 N ATOM 1169 CA LYS A 75 1.685 17.493 -32.169 1.00 0.00 C ATOM 1170 C LYS A 75 1.550 18.262 -33.467 1.00 0.00 C ATOM 1171 O LYS A 75 2.528 18.558 -34.143 1.00 0.00 O ATOM 1172 CB LYS A 75 2.152 16.051 -32.450 1.00 0.00 C ATOM 1173 CG LYS A 75 3.096 15.448 -31.402 1.00 0.00 C ATOM 1174 CD LYS A 75 2.467 15.344 -30.039 1.00 0.00 C ATOM 1175 CE LYS A 75 3.415 14.751 -29.013 1.00 0.00 C ATOM 1176 NZ LYS A 75 4.632 15.575 -28.831 1.00 0.00 N ATOM 0 H LYS A 75 -0.176 16.728 -31.568 1.00 0.00 H new ATOM 0 HA LYS A 75 2.447 17.957 -31.543 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.273 15.412 -32.532 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.652 16.031 -33.418 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.408 14.456 -31.729 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.996 16.060 -31.336 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.152 16.334 -29.710 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.570 14.728 -30.101 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.899 14.653 -28.058 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.702 13.747 -29.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.157 15.239 -27.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.234 15.496 -29.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.360 16.569 -28.691 1.00 0.00 H new ATOM 1190 N CYS A 76 0.330 18.622 -33.786 1.00 0.00 N ATOM 1191 CA CYS A 76 0.035 19.377 -34.981 1.00 0.00 C ATOM 1192 C CYS A 76 0.400 20.846 -34.782 1.00 0.00 C ATOM 1193 O CYS A 76 0.400 21.633 -35.727 1.00 0.00 O ATOM 1194 CB CYS A 76 -1.437 19.233 -35.325 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.013 20.175 -36.762 1.00 0.00 S ATOM 0 H CYS A 76 -0.490 18.399 -33.222 1.00 0.00 H new ATOM 0 HA CYS A 76 0.629 18.988 -35.808 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.647 18.178 -35.499 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.024 19.536 -34.458 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.215 21.180 -36.970 1.00 0.00 H new ATOM 1201 N LEU A 77 0.728 21.206 -33.553 1.00 0.00 N ATOM 1202 CA LEU A 77 1.110 22.562 -33.242 1.00 0.00 C ATOM 1203 C LEU A 77 2.532 22.814 -33.721 1.00 0.00 C ATOM 1204 O LEU A 77 2.934 23.959 -33.958 1.00 0.00 O ATOM 1205 CB LEU A 77 0.984 22.820 -31.738 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.394 22.529 -31.124 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.405 22.868 -29.648 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.492 23.283 -31.860 1.00 0.00 C ATOM 0 H LEU A 77 0.736 20.571 -32.755 1.00 0.00 H new ATOM 0 HA LEU A 77 0.441 23.252 -33.757 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.727 22.213 -31.221 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.234 23.863 -31.545 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.591 21.462 -31.231 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.390 22.654 -29.233 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.344 22.268 -29.131 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.177 23.926 -29.516 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.456 23.058 -31.404 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.302 24.355 -31.798 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.505 22.977 -32.906 1.00 0.00 H new ATOM 1220 N ASP A 78 3.270 21.727 -33.888 1.00 0.00 N ATOM 1221 CA ASP A 78 4.645 21.763 -34.372 1.00 0.00 C ATOM 1222 C ASP A 78 4.651 22.084 -35.839 1.00 0.00 C ATOM 1223 O ASP A 78 5.343 23.011 -36.307 1.00 0.00 O ATOM 1224 CB ASP A 78 5.287 20.396 -34.203 1.00 0.00 C ATOM 1225 CG ASP A 78 6.747 20.387 -34.608 1.00 0.00 C ATOM 1226 OD1 ASP A 78 7.043 20.192 -35.796 1.00 0.00 O ATOM 1227 OD2 ASP A 78 7.631 20.572 -33.739 1.00 0.00 O ATOM 0 H ASP A 78 2.930 20.786 -33.690 1.00 0.00 H new ATOM 0 HA ASP A 78 5.193 22.516 -33.806 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.200 20.083 -33.162 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.743 19.666 -34.802 1.00 0.00 H new ATOM 1232 N LEU A 79 3.862 21.329 -36.555 1.00 0.00 N ATOM 1233 CA LEU A 79 3.771 21.452 -37.999 1.00 0.00 C ATOM 1234 C LEU A 79 2.953 22.703 -38.352 1.00 0.00 C ATOM 1235 O LEU A 79 2.247 23.228 -37.483 1.00 0.00 O ATOM 1236 CB LEU A 79 3.173 20.130 -38.564 1.00 0.00 C ATOM 1237 CG LEU A 79 1.763 19.754 -38.123 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.711 20.496 -38.911 1.00 0.00 C ATOM 1239 CD2 LEU A 79 1.553 18.277 -38.217 1.00 0.00 C ATOM 0 H LEU A 79 3.260 20.607 -36.160 1.00 0.00 H new ATOM 0 HA LEU A 79 4.750 21.589 -38.459 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.180 20.195 -39.652 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.841 19.314 -38.289 1.00 0.00 H new ATOM 0 HG LEU A 79 1.659 20.052 -37.080 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.279 20.199 -38.565 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.839 21.569 -38.768 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.813 20.256 -39.969 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.540 18.032 -37.897 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.696 17.954 -39.248 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.270 17.766 -37.574 1.00 0.00 H new ATOM 1251 N PRO A 80 3.073 23.214 -39.606 1.00 0.00 N ATOM 1252 CA PRO A 80 2.357 24.407 -40.060 1.00 0.00 C ATOM 1253 C PRO A 80 0.872 24.346 -39.707 1.00 0.00 C ATOM 1254 O PRO A 80 0.413 25.073 -38.813 1.00 0.00 O ATOM 1255 CB PRO A 80 2.567 24.420 -41.592 1.00 0.00 C ATOM 1256 CG PRO A 80 3.346 23.176 -41.919 1.00 0.00 C ATOM 1257 CD PRO A 80 3.953 22.694 -40.644 1.00 0.00 C ATOM 0 HA PRO A 80 2.728 25.312 -39.579 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.611 24.430 -42.116 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.110 25.312 -41.903 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.695 22.415 -42.348 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.119 23.388 -42.658 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.003 21.606 -40.614 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.971 23.064 -40.524 1.00 0.00 H new ATOM 1265 N ASP A 81 0.155 23.448 -40.378 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.269 23.161 -40.131 1.00 0.00 C ATOM 1267 C ASP A 81 -1.793 22.250 -41.201 1.00 0.00 C ATOM 1268 O ASP A 81 -1.424 22.372 -42.364 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.137 24.427 -40.064 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.617 24.154 -39.882 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -3.992 23.343 -39.007 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -4.433 24.796 -40.578 1.00 0.00 O ATOM 0 H ASP A 81 0.551 22.882 -41.128 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.330 22.681 -39.154 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.789 25.050 -39.240 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.994 25.001 -40.979 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.604 21.339 -40.805 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.245 20.416 -41.668 1.00 0.00 C ATOM 1279 C ILE A 82 -4.544 20.048 -41.043 1.00 0.00 C ATOM 1280 O ILE A 82 -4.587 19.641 -39.881 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.399 19.124 -41.968 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.270 18.042 -42.641 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.708 18.588 -40.723 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.525 16.782 -42.999 1.00 0.00 C ATOM 0 H ILE A 82 -2.851 21.210 -39.824 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.380 20.898 -42.636 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.610 19.406 -42.665 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.093 17.787 -41.973 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.712 18.459 -43.546 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.136 17.696 -40.980 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.036 19.348 -40.324 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.456 18.336 -39.972 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.210 16.075 -43.467 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.719 17.020 -43.693 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.106 16.338 -42.096 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.598 20.276 -41.745 1.00 0.00 N ATOM 1297 CA ASP A 83 -6.872 19.847 -41.262 1.00 0.00 C ATOM 1298 C ASP A 83 -7.091 18.431 -41.707 1.00 0.00 C ATOM 1299 O ASP A 83 -7.397 18.172 -42.876 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.013 20.734 -41.726 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.318 20.301 -41.096 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.534 20.603 -39.907 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.127 19.633 -41.753 1.00 0.00 O ATOM 0 H ASP A 83 -5.609 20.752 -42.647 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.865 19.915 -40.174 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.804 21.771 -41.464 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.096 20.690 -42.812 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.850 17.528 -40.812 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.968 16.127 -41.086 1.00 0.00 C ATOM 1310 C PHE A 84 -8.054 15.520 -40.243 1.00 0.00 C ATOM 1311 O PHE A 84 -8.456 16.085 -39.211 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.626 15.398 -40.827 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.091 15.532 -39.410 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.284 16.594 -39.064 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.393 14.590 -38.438 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -3.784 16.728 -37.784 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -4.896 14.717 -37.153 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.090 15.788 -36.827 1.00 0.00 C ATOM 0 H PHE A 84 -6.562 17.742 -39.857 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.227 16.008 -42.138 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.754 14.340 -41.053 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.879 15.784 -41.520 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.038 17.336 -39.809 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.023 13.749 -38.687 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.154 17.569 -37.534 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.139 13.977 -36.405 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.701 15.888 -35.825 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.514 14.395 -40.671 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.492 13.629 -39.958 1.00 0.00 C ATOM 1330 C ASP A 85 -8.932 12.251 -39.709 1.00 0.00 C ATOM 1331 O ASP A 85 -8.784 11.453 -40.633 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.807 13.560 -40.750 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.782 12.544 -40.202 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.176 12.632 -39.018 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.188 11.634 -40.958 1.00 0.00 O ATOM 0 H ASP A 85 -8.217 13.967 -41.548 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.715 14.106 -39.004 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.277 14.543 -40.746 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.585 13.317 -41.789 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.545 11.982 -38.492 1.00 0.00 N ATOM 1341 CA LEU A 86 -7.992 10.700 -38.186 1.00 0.00 C ATOM 1342 C LEU A 86 -9.057 9.870 -37.529 1.00 0.00 C ATOM 1343 O LEU A 86 -10.010 10.407 -36.958 1.00 0.00 O ATOM 1344 CB LEU A 86 -6.771 10.775 -37.243 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.073 11.011 -35.751 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -5.875 10.717 -34.908 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.562 12.413 -35.470 1.00 0.00 C ATOM 0 H LEU A 86 -8.603 12.629 -37.706 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.649 10.259 -39.122 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.210 9.845 -37.335 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.119 11.576 -37.591 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.877 10.322 -35.491 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.116 10.892 -33.859 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.581 9.676 -35.044 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.053 11.368 -35.205 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.759 12.523 -34.404 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.801 13.132 -35.774 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.479 12.597 -36.029 1.00 0.00 H new ATOM 1359 N ASN A 87 -8.918 8.608 -37.616 1.00 0.00 N ATOM 1360 CA ASN A 87 -9.805 7.707 -36.991 1.00 0.00 C ATOM 1361 C ASN A 87 -8.994 6.673 -36.254 1.00 0.00 C ATOM 1362 O ASN A 87 -8.242 5.914 -36.881 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.682 7.046 -38.057 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.638 6.031 -37.492 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -12.759 6.352 -37.122 1.00 0.00 O ATOM 1366 ND2 ASN A 87 -11.204 4.812 -37.433 1.00 0.00 N ATOM 0 H ASN A 87 -8.165 8.158 -38.137 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.451 8.228 -36.284 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.248 7.816 -38.581 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.043 6.562 -38.795 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.805 4.074 -37.066 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.261 4.590 -37.753 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.083 6.678 -34.951 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.420 5.689 -34.146 1.00 0.00 C ATOM 1375 C ILE A 88 -9.296 4.457 -34.073 1.00 0.00 C ATOM 1376 O ILE A 88 -10.514 4.560 -33.942 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.157 6.189 -32.708 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.229 7.409 -32.700 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -7.545 5.065 -31.874 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -5.846 7.122 -33.213 1.00 0.00 C ATOM 0 H ILE A 88 -9.616 7.366 -34.419 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.458 5.470 -34.609 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.111 6.490 -32.275 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.675 8.197 -33.306 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.157 7.792 -31.682 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.361 5.422 -30.861 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.233 4.220 -31.842 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.604 4.749 -32.324 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.248 8.033 -33.177 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.379 6.357 -32.593 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.906 6.768 -34.242 1.00 0.00 H new ATOM 1392 N MET A 89 -8.702 3.327 -34.196 1.00 0.00 N ATOM 1393 CA MET A 89 -9.378 2.083 -34.074 1.00 0.00 C ATOM 1394 C MET A 89 -8.376 1.110 -33.514 1.00 0.00 C ATOM 1395 O MET A 89 -7.203 1.401 -33.484 1.00 0.00 O ATOM 1396 CB MET A 89 -9.904 1.587 -35.446 1.00 0.00 C ATOM 1397 CG MET A 89 -8.831 1.035 -36.384 1.00 0.00 C ATOM 1398 SD MET A 89 -9.458 0.626 -38.029 1.00 0.00 S ATOM 1399 CE MET A 89 -9.710 2.242 -38.740 1.00 0.00 C ATOM 0 H MET A 89 -7.705 3.237 -34.390 1.00 0.00 H new ATOM 0 HA MET A 89 -10.248 2.182 -33.425 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.650 0.811 -35.274 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.412 2.413 -35.944 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.031 1.769 -36.480 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.393 0.142 -35.938 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.416 2.228 -39.790 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.763 2.514 -38.662 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.106 2.974 -38.204 1.00 0.00 H new ATOM 1409 N THR A 90 -8.820 0.037 -33.031 1.00 0.00 N ATOM 1410 CA THR A 90 -7.980 -1.031 -32.598 1.00 0.00 C ATOM 1411 C THR A 90 -7.463 -1.815 -33.809 1.00 0.00 C ATOM 1412 O THR A 90 -8.148 -1.905 -34.827 1.00 0.00 O ATOM 1413 CB THR A 90 -8.821 -1.917 -31.694 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.189 -1.758 -32.110 1.00 0.00 O ATOM 1415 CG2 THR A 90 -8.694 -1.485 -30.254 1.00 0.00 C ATOM 0 H THR A 90 -9.815 -0.151 -32.912 1.00 0.00 H new ATOM 0 HA THR A 90 -7.110 -0.657 -32.059 1.00 0.00 H new ATOM 0 HB THR A 90 -8.490 -2.953 -31.768 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.646 -2.624 -32.070 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.304 -2.133 -29.625 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.651 -1.555 -29.944 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.035 -0.455 -30.152 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.251 -2.327 -33.705 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.618 -3.147 -34.752 1.00 0.00 C ATOM 1425 C VAL A 91 -6.533 -4.314 -35.186 1.00 0.00 C ATOM 1426 O VAL A 91 -6.679 -4.583 -36.390 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.253 -3.694 -34.253 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.677 -4.748 -35.180 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.255 -2.583 -34.108 1.00 0.00 C ATOM 0 H VAL A 91 -5.661 -2.190 -32.885 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.453 -2.510 -35.621 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.445 -4.155 -33.284 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.723 -5.097 -34.785 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.369 -5.587 -35.252 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.525 -4.318 -36.170 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.306 -2.990 -33.757 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.107 -2.098 -35.073 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.625 -1.853 -33.388 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.178 -4.962 -34.216 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.112 -6.072 -34.503 1.00 0.00 C ATOM 1441 C ASP A 92 -9.259 -5.584 -35.353 1.00 0.00 C ATOM 1442 O ASP A 92 -9.656 -6.230 -36.311 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.652 -6.704 -33.207 1.00 0.00 C ATOM 1444 CG ASP A 92 -9.803 -7.686 -33.453 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -9.562 -8.837 -33.869 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.967 -7.316 -33.228 1.00 0.00 O ATOM 0 H ASP A 92 -7.077 -4.745 -33.224 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.559 -6.837 -35.048 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.841 -7.224 -32.698 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.993 -5.913 -32.539 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.707 -4.382 -35.057 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.836 -3.783 -35.754 1.00 0.00 C ATOM 1453 C ASP A 93 -10.405 -3.160 -37.057 1.00 0.00 C ATOM 1454 O ASP A 93 -11.227 -2.751 -37.873 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.594 -2.779 -34.873 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.402 -3.458 -33.790 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -13.519 -3.924 -34.069 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -11.923 -3.570 -32.644 1.00 0.00 O ATOM 0 H ASP A 93 -9.304 -3.791 -34.330 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.534 -4.588 -35.985 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.882 -2.092 -34.415 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.258 -2.181 -35.497 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.120 -3.102 -37.256 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.564 -2.604 -38.470 1.00 0.00 C ATOM 1465 C TYR A 94 -8.397 -3.699 -39.486 1.00 0.00 C ATOM 1466 O TYR A 94 -9.006 -3.657 -40.556 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.233 -1.936 -38.219 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.498 -1.505 -39.472 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.971 -0.464 -40.252 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.315 -2.127 -39.856 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.295 -0.054 -41.373 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.631 -1.723 -40.986 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.128 -0.683 -41.740 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.458 -0.263 -42.863 1.00 0.00 O ATOM 0 H TYR A 94 -8.427 -3.403 -36.571 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.262 -1.867 -38.867 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.393 -1.061 -37.589 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.597 -2.621 -37.658 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.888 0.034 -39.973 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.925 -2.939 -39.261 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.679 0.762 -41.967 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.716 -2.218 -41.275 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.652 -0.807 -42.986 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.584 -4.685 -39.147 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.260 -5.773 -40.063 1.00 0.00 C ATOM 1486 C PHE A 95 -8.461 -6.556 -40.500 1.00 0.00 C ATOM 1487 O PHE A 95 -8.473 -7.116 -41.579 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.202 -6.695 -39.502 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.824 -6.140 -39.572 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.302 -5.720 -40.785 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.035 -6.058 -38.447 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.027 -5.229 -40.867 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.763 -5.567 -38.525 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.256 -5.151 -39.733 1.00 0.00 C ATOM 0 H PHE A 95 -7.131 -4.757 -38.236 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.854 -5.288 -40.951 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.442 -6.918 -38.462 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.231 -7.640 -40.045 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.909 -5.781 -41.676 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.425 -6.385 -37.494 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.630 -4.905 -41.818 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.154 -5.505 -37.635 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.250 -4.762 -39.791 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.474 -6.556 -39.679 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.720 -7.240 -39.990 1.00 0.00 C ATOM 1506 C ARG A 96 -11.427 -6.615 -41.211 1.00 0.00 C ATOM 1507 O ARG A 96 -12.313 -7.214 -41.787 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.636 -7.254 -38.750 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.123 -5.879 -38.275 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.384 -5.425 -38.993 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.512 -6.273 -38.637 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.246 -7.007 -39.464 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -14.988 -7.045 -40.763 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.236 -7.711 -38.972 1.00 0.00 N ATOM 0 H ARG A 96 -9.470 -6.086 -38.774 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.487 -8.270 -40.260 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.506 -7.873 -38.969 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.102 -7.734 -37.930 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.313 -5.916 -37.202 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.334 -5.144 -38.434 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.604 -4.390 -38.732 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.226 -5.455 -40.071 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.765 -6.307 -37.649 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.213 -6.503 -41.145 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.565 -7.616 -41.381 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.430 -7.688 -37.971 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.812 -8.282 -39.590 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.041 -5.401 -41.576 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.670 -4.709 -42.700 1.00 0.00 C ATOM 1530 C GLN A 97 -10.922 -5.023 -43.972 1.00 0.00 C ATOM 1531 O GLN A 97 -11.517 -5.237 -45.025 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.609 -3.199 -42.513 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.060 -2.691 -41.173 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.823 -1.215 -41.055 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -12.690 -0.407 -41.350 1.00 0.00 O ATOM 1536 NE2 GLN A 97 -10.624 -0.862 -40.704 1.00 0.00 N ATOM 0 H GLN A 97 -10.299 -4.874 -41.115 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.707 -5.042 -42.752 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.583 -2.872 -42.679 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.221 -2.731 -43.284 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.120 -2.906 -41.036 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.524 -3.214 -40.381 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.932 -1.573 -40.466 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.374 0.126 -40.666 1.00 0.00 H new