USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 875 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 94 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -1.59 F(o=-3.6!,f=-1.6) USER MOD Set 2.1: A 58 THR OG1 : rot -90:sc= 0.435 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -2.17 K(o=-1.7,f=-2.3!) USER MOD Set 3.1: A 23 TYR OH : rot -63:sc= 1.02 USER MOD Set 3.2: A 34 MET CE :methyl -115:sc= -8.81! (180deg=-15.8!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 16 HIS : no HD1:sc= -1.5! K(o=-1.5!,f=-2.3) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 27 SER OG : rot -67:sc= 0.977 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 30:sc= 0.0139 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.0846 (180deg=-0.726) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 150:sc= -1.14 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 76 HIS :FLIP no HE2:sc= -2.36 F(o=-3.9!,f=-2.4) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -54:sc= 0.0531 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 79:sc= 0.507 USER MOD Single : A 95 TYR OH : rot 127:sc= -0.711 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0198 (180deg=-0.184) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -3.344 -9.613 -9.826 1.00 0.00 N ATOM 151 CA ASN A 14 -2.764 -8.820 -8.747 1.00 0.00 C ATOM 152 C ASN A 14 -2.186 -7.513 -9.282 1.00 0.00 C ATOM 153 O ASN A 14 -0.973 -7.309 -9.315 1.00 0.00 O ATOM 154 CB ASN A 14 -1.672 -9.618 -8.031 1.00 0.00 C ATOM 155 CG ASN A 14 -0.843 -10.452 -8.989 1.00 0.00 C ATOM 156 OD1 ASN A 14 0.091 -9.952 -9.616 1.00 0.00 O ATOM 157 ND2 ASN A 14 -1.181 -11.730 -9.105 1.00 0.00 N ATOM 0 HA ASN A 14 -3.557 -8.582 -8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.019 -8.932 -7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.131 -10.271 -7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.659 -12.341 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.963 -12.102 -8.566 1.00 0.00 H new ATOM 164 N PRO A 15 -3.076 -6.606 -9.711 1.00 0.00 N ATOM 165 CA PRO A 15 -2.678 -5.302 -10.251 1.00 0.00 C ATOM 166 C PRO A 15 -2.107 -4.380 -9.179 1.00 0.00 C ATOM 167 O PRO A 15 -1.140 -3.656 -9.419 1.00 0.00 O ATOM 168 CB PRO A 15 -3.988 -4.733 -10.804 1.00 0.00 C ATOM 169 CG PRO A 15 -5.056 -5.405 -10.012 1.00 0.00 C ATOM 170 CD PRO A 15 -4.538 -6.782 -9.701 1.00 0.00 C ATOM 0 HA PRO A 15 -1.888 -5.393 -10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.030 -3.650 -10.687 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.093 -4.943 -11.868 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.269 -4.853 -9.097 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.987 -5.457 -10.577 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.894 -7.136 -8.733 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.860 -7.510 -10.445 1.00 0.00 H new ATOM 178 N HIS A 16 -2.711 -4.412 -7.995 1.00 0.00 N ATOM 179 CA HIS A 16 -2.261 -3.579 -6.885 1.00 0.00 C ATOM 180 C HIS A 16 -0.746 -3.664 -6.722 1.00 0.00 C ATOM 181 O HIS A 16 -0.055 -2.646 -6.727 1.00 0.00 O ATOM 182 CB HIS A 16 -2.950 -4.005 -5.589 1.00 0.00 C ATOM 183 CG HIS A 16 -3.234 -5.473 -5.515 1.00 0.00 C ATOM 184 ND1 HIS A 16 -2.401 -6.370 -4.880 1.00 0.00 N ATOM 185 CD2 HIS A 16 -4.267 -6.200 -6.001 1.00 0.00 C ATOM 186 CE1 HIS A 16 -2.909 -7.586 -4.979 1.00 0.00 C ATOM 187 NE2 HIS A 16 -4.042 -7.510 -5.655 1.00 0.00 N ATOM 0 H HIS A 16 -3.512 -5.005 -7.780 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.527 -2.546 -7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.323 -3.722 -4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.887 -3.457 -5.488 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.111 -5.821 -6.557 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.473 -8.488 -4.576 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.650 -8.296 -5.883 1.00 0.00 H new ATOM 196 N GLU A 17 -0.239 -4.884 -6.576 1.00 0.00 N ATOM 197 CA GLU A 17 1.194 -5.100 -6.410 1.00 0.00 C ATOM 198 C GLU A 17 1.985 -4.347 -7.475 1.00 0.00 C ATOM 199 O GLU A 17 3.171 -4.067 -7.301 1.00 0.00 O ATOM 200 CB GLU A 17 1.518 -6.594 -6.478 1.00 0.00 C ATOM 201 CG GLU A 17 1.059 -7.373 -5.257 1.00 0.00 C ATOM 202 CD GLU A 17 1.025 -8.869 -5.499 1.00 0.00 C ATOM 203 OE1 GLU A 17 2.001 -9.401 -6.068 1.00 0.00 O ATOM 204 OE2 GLU A 17 0.022 -9.509 -5.118 1.00 0.00 O ATOM 0 H GLU A 17 -0.798 -5.737 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 17 1.482 -4.717 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.050 -7.018 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.595 -6.719 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.726 -7.159 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.065 -7.033 -4.966 1.00 0.00 H new ATOM 211 N SER A 18 1.320 -4.023 -8.579 1.00 0.00 N ATOM 212 CA SER A 18 1.961 -3.307 -9.676 1.00 0.00 C ATOM 213 C SER A 18 1.757 -1.801 -9.534 1.00 0.00 C ATOM 214 O SER A 18 2.664 -1.012 -9.800 1.00 0.00 O ATOM 215 CB SER A 18 1.405 -3.784 -11.019 1.00 0.00 C ATOM 216 OG SER A 18 1.633 -5.170 -11.201 1.00 0.00 O ATOM 0 H SER A 18 0.337 -4.245 -8.738 1.00 0.00 H new ATOM 0 HA SER A 18 3.030 -3.517 -9.639 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.336 -3.579 -11.067 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.874 -3.226 -11.829 1.00 0.00 H new ATOM 0 HG SER A 18 1.267 -5.451 -12.066 1.00 0.00 H new ATOM 222 N LYS A 19 0.559 -1.410 -9.113 1.00 0.00 N ATOM 223 CA LYS A 19 0.234 0.000 -8.934 1.00 0.00 C ATOM 224 C LYS A 19 1.428 0.768 -8.376 1.00 0.00 C ATOM 225 O LYS A 19 2.226 0.242 -7.600 1.00 0.00 O ATOM 226 CB LYS A 19 -0.967 0.152 -7.997 1.00 0.00 C ATOM 227 CG LYS A 19 -2.281 -0.291 -8.615 1.00 0.00 C ATOM 228 CD LYS A 19 -2.866 0.786 -9.513 1.00 0.00 C ATOM 229 CE LYS A 19 -4.180 0.339 -10.136 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.783 1.404 -10.984 1.00 0.00 N ATOM 0 H LYS A 19 -0.203 -2.050 -8.889 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.018 0.416 -9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.787 -0.429 -7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.051 1.196 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.124 -1.202 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.992 -0.533 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.027 1.696 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.153 1.031 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.011 -0.553 -10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.880 0.063 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.677 1.060 -11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.968 2.247 -10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.126 1.650 -11.752 1.00 0.00 H new ATOM 244 N PRO A 20 1.555 2.041 -8.779 1.00 0.00 N ATOM 245 CA PRO A 20 2.648 2.908 -8.330 1.00 0.00 C ATOM 246 C PRO A 20 2.522 3.283 -6.857 1.00 0.00 C ATOM 247 O PRO A 20 3.522 3.391 -6.147 1.00 0.00 O ATOM 248 CB PRO A 20 2.501 4.150 -9.213 1.00 0.00 C ATOM 249 CG PRO A 20 1.063 4.171 -9.600 1.00 0.00 C ATOM 250 CD PRO A 20 0.640 2.732 -9.703 1.00 0.00 C ATOM 0 HA PRO A 20 3.618 2.419 -8.417 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.779 5.055 -8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.146 4.091 -10.090 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.467 4.701 -8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.922 4.688 -10.549 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.402 2.598 -9.412 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.738 2.356 -10.721 1.00 0.00 H new ATOM 258 N TRP A 21 1.289 3.481 -6.405 1.00 0.00 N ATOM 259 CA TRP A 21 1.034 3.844 -5.016 1.00 0.00 C ATOM 260 C TRP A 21 1.081 2.615 -4.115 1.00 0.00 C ATOM 261 O TRP A 21 0.710 2.679 -2.942 1.00 0.00 O ATOM 262 CB TRP A 21 -0.326 4.533 -4.889 1.00 0.00 C ATOM 263 CG TRP A 21 -1.385 3.922 -5.757 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.851 4.406 -6.945 1.00 0.00 C ATOM 265 CD2 TRP A 21 -2.110 2.714 -5.501 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.822 3.572 -7.444 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.999 2.527 -6.578 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.093 1.772 -4.470 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.862 1.436 -6.649 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.951 0.690 -4.542 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.824 0.529 -5.625 1.00 0.00 C ATOM 0 H TRP A 21 0.451 3.396 -6.980 1.00 0.00 H new ATOM 0 HA TRP A 21 1.815 4.535 -4.698 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.650 4.492 -3.849 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.217 5.586 -5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.507 5.312 -7.423 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.329 3.709 -8.318 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.422 1.887 -3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.537 1.310 -7.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.948 -0.044 -3.749 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.480 -0.328 -5.653 1.00 0.00 H new ATOM 282 N TYR A 22 1.539 1.498 -4.668 1.00 0.00 N ATOM 283 CA TYR A 22 1.632 0.254 -3.914 1.00 0.00 C ATOM 284 C TYR A 22 3.079 -0.045 -3.533 1.00 0.00 C ATOM 285 O TYR A 22 3.984 0.053 -4.362 1.00 0.00 O ATOM 286 CB TYR A 22 1.058 -0.906 -4.730 1.00 0.00 C ATOM 287 CG TYR A 22 1.169 -2.246 -4.039 1.00 0.00 C ATOM 288 CD1 TYR A 22 2.409 -2.826 -3.800 1.00 0.00 C ATOM 289 CD2 TYR A 22 0.035 -2.932 -3.623 1.00 0.00 C ATOM 290 CE1 TYR A 22 2.515 -4.051 -3.170 1.00 0.00 C ATOM 291 CE2 TYR A 22 0.132 -4.156 -2.991 1.00 0.00 C ATOM 292 CZ TYR A 22 1.374 -4.712 -2.767 1.00 0.00 C ATOM 293 OH TYR A 22 1.476 -5.931 -2.137 1.00 0.00 O ATOM 0 H TYR A 22 1.852 1.428 -5.636 1.00 0.00 H new ATOM 0 HA TYR A 22 1.050 0.369 -2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.009 -0.704 -4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.576 -0.957 -5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.305 -2.310 -4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.940 -2.501 -3.797 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.487 -4.489 -2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.760 -4.675 -2.674 1.00 0.00 H new ATOM 0 HH TYR A 22 0.580 -6.262 -1.917 1.00 0.00 H new ATOM 303 N TYR A 23 3.288 -0.412 -2.274 1.00 0.00 N ATOM 304 CA TYR A 23 4.624 -0.724 -1.780 1.00 0.00 C ATOM 305 C TYR A 23 4.771 -2.219 -1.513 1.00 0.00 C ATOM 306 O TYR A 23 3.838 -2.871 -1.044 1.00 0.00 O ATOM 307 CB TYR A 23 4.917 0.066 -0.503 1.00 0.00 C ATOM 308 CG TYR A 23 5.224 1.525 -0.751 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.490 1.930 -1.158 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.250 2.500 -0.577 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.775 3.262 -1.385 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.526 3.835 -0.803 1.00 0.00 C ATOM 313 CZ TYR A 23 5.790 4.211 -1.206 1.00 0.00 C ATOM 314 OH TYR A 23 6.069 5.539 -1.431 1.00 0.00 O ATOM 0 H TYR A 23 2.549 -0.501 -1.576 1.00 0.00 H new ATOM 0 HA TYR A 23 5.343 -0.438 -2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.059 -0.008 0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.762 -0.392 0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.264 1.190 -1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.259 2.210 -0.259 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.764 3.559 -1.701 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.756 4.580 -0.665 1.00 0.00 H new ATOM 0 HH TYR A 23 6.754 5.841 -0.799 1.00 0.00 H new ATOM 324 N ASP A 24 5.949 -2.754 -1.813 1.00 0.00 N ATOM 325 CA ASP A 24 6.220 -4.172 -1.603 1.00 0.00 C ATOM 326 C ASP A 24 7.311 -4.367 -0.555 1.00 0.00 C ATOM 327 O ASP A 24 7.264 -5.310 0.235 1.00 0.00 O ATOM 328 CB ASP A 24 6.635 -4.833 -2.919 1.00 0.00 C ATOM 329 CG ASP A 24 5.593 -4.662 -4.007 1.00 0.00 C ATOM 330 OD1 ASP A 24 5.179 -3.511 -4.255 1.00 0.00 O ATOM 331 OD2 ASP A 24 5.192 -5.680 -4.610 1.00 0.00 O ATOM 0 H ASP A 24 6.731 -2.228 -2.202 1.00 0.00 H new ATOM 0 HA ASP A 24 5.306 -4.643 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.580 -4.406 -3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.808 -5.896 -2.750 1.00 0.00 H new ATOM 336 N ARG A 25 8.291 -3.470 -0.555 1.00 0.00 N ATOM 337 CA ARG A 25 9.395 -3.545 0.395 1.00 0.00 C ATOM 338 C ARG A 25 9.448 -2.294 1.267 1.00 0.00 C ATOM 339 O ARG A 25 10.469 -1.608 1.326 1.00 0.00 O ATOM 340 CB ARG A 25 10.722 -3.720 -0.346 1.00 0.00 C ATOM 341 CG ARG A 25 10.743 -4.916 -1.284 1.00 0.00 C ATOM 342 CD ARG A 25 12.155 -5.232 -1.752 1.00 0.00 C ATOM 343 NE ARG A 25 12.224 -6.507 -2.460 1.00 0.00 N ATOM 344 CZ ARG A 25 13.359 -7.157 -2.694 1.00 0.00 C ATOM 345 NH1 ARG A 25 14.513 -6.654 -2.277 1.00 0.00 N ATOM 346 NH2 ARG A 25 13.340 -8.313 -3.344 1.00 0.00 N ATOM 0 H ARG A 25 8.343 -2.683 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 25 9.229 -4.409 1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.931 -2.816 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.524 -3.827 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.324 -5.785 -0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.109 -4.714 -2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.507 -4.434 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.825 -5.258 -0.892 1.00 0.00 H new ATOM 0 HE ARG A 25 11.354 -6.921 -2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.531 -5.766 -1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.383 -7.155 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.454 -8.703 -3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.212 -8.812 -3.523 1.00 0.00 H new ATOM 360 N LEU A 26 8.342 -2.004 1.943 1.00 0.00 N ATOM 361 CA LEU A 26 8.262 -0.835 2.813 1.00 0.00 C ATOM 362 C LEU A 26 7.826 -1.232 4.220 1.00 0.00 C ATOM 363 O LEU A 26 7.014 -2.140 4.396 1.00 0.00 O ATOM 364 CB LEU A 26 7.284 0.189 2.234 1.00 0.00 C ATOM 365 CG LEU A 26 7.420 1.618 2.760 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.647 2.292 2.163 1.00 0.00 C ATOM 367 CD2 LEU A 26 6.166 2.422 2.451 1.00 0.00 C ATOM 0 H LEU A 26 7.489 -2.561 1.906 1.00 0.00 H new ATOM 0 HA LEU A 26 9.254 -0.388 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.408 0.208 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.269 -0.155 2.433 1.00 0.00 H new ATOM 0 HG LEU A 26 7.543 1.576 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.728 3.308 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.540 1.729 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.553 2.322 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.281 3.436 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.012 2.455 1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.305 1.951 2.926 1.00 0.00 H new ATOM 379 N SER A 27 8.371 -0.545 5.218 1.00 0.00 N ATOM 380 CA SER A 27 8.040 -0.826 6.610 1.00 0.00 C ATOM 381 C SER A 27 7.471 0.413 7.295 1.00 0.00 C ATOM 382 O SER A 27 7.777 1.542 6.913 1.00 0.00 O ATOM 383 CB SER A 27 9.279 -1.315 7.363 1.00 0.00 C ATOM 384 OG SER A 27 10.275 -0.307 7.414 1.00 0.00 O ATOM 0 H SER A 27 9.044 0.211 5.089 1.00 0.00 H new ATOM 0 HA SER A 27 7.282 -1.609 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.001 -1.608 8.375 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.680 -2.202 6.873 1.00 0.00 H new ATOM 0 HG SER A 27 10.621 -0.143 6.512 1.00 0.00 H new ATOM 390 N ARG A 28 6.642 0.192 8.310 1.00 0.00 N ATOM 391 CA ARG A 28 6.028 1.290 9.048 1.00 0.00 C ATOM 392 C ARG A 28 7.048 2.387 9.337 1.00 0.00 C ATOM 393 O ARG A 28 6.749 3.575 9.216 1.00 0.00 O ATOM 394 CB ARG A 28 5.428 0.779 10.359 1.00 0.00 C ATOM 395 CG ARG A 28 4.284 -0.203 10.163 1.00 0.00 C ATOM 396 CD ARG A 28 3.636 -0.574 11.488 1.00 0.00 C ATOM 397 NE ARG A 28 2.680 0.438 11.932 1.00 0.00 N ATOM 398 CZ ARG A 28 2.256 0.547 13.186 1.00 0.00 C ATOM 399 NH1 ARG A 28 2.699 -0.288 14.115 1.00 0.00 N ATOM 400 NH2 ARG A 28 1.385 1.494 13.512 1.00 0.00 N ATOM 0 H ARG A 28 6.380 -0.737 8.640 1.00 0.00 H new ATOM 0 HA ARG A 28 5.233 1.709 8.432 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.212 0.299 10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.071 1.629 10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.537 0.235 9.501 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.655 -1.103 9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.128 -1.533 11.387 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.408 -0.701 12.247 1.00 0.00 H new ATOM 0 HE ARG A 28 2.319 1.096 11.242 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.368 -1.017 13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.371 -0.201 15.077 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.041 2.138 12.800 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.059 1.578 14.475 1.00 0.00 H new ATOM 414 N GLY A 29 8.255 1.981 9.720 1.00 0.00 N ATOM 415 CA GLY A 29 9.300 2.942 10.021 1.00 0.00 C ATOM 416 C GLY A 29 9.487 3.961 8.914 1.00 0.00 C ATOM 417 O GLY A 29 9.722 5.139 9.181 1.00 0.00 O ATOM 0 H GLY A 29 8.528 1.004 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.057 3.459 10.949 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.239 2.413 10.186 1.00 0.00 H new ATOM 421 N GLU A 30 9.383 3.507 7.669 1.00 0.00 N ATOM 422 CA GLU A 30 9.544 4.388 6.519 1.00 0.00 C ATOM 423 C GLU A 30 8.201 4.969 6.086 1.00 0.00 C ATOM 424 O GLU A 30 8.100 6.152 5.762 1.00 0.00 O ATOM 425 CB GLU A 30 10.185 3.631 5.354 1.00 0.00 C ATOM 426 CG GLU A 30 11.557 3.064 5.677 1.00 0.00 C ATOM 427 CD GLU A 30 11.906 1.860 4.824 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.363 2.058 3.679 1.00 0.00 O ATOM 429 OE2 GLU A 30 11.722 0.721 5.301 1.00 0.00 O ATOM 0 H GLU A 30 9.188 2.534 7.431 1.00 0.00 H new ATOM 0 HA GLU A 30 10.198 5.210 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.526 2.816 5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.271 4.302 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.310 3.839 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.591 2.781 6.729 1.00 0.00 H new ATOM 436 N ALA A 31 7.173 4.128 6.082 1.00 0.00 N ATOM 437 CA ALA A 31 5.836 4.557 5.690 1.00 0.00 C ATOM 438 C ALA A 31 5.426 5.823 6.434 1.00 0.00 C ATOM 439 O ALA A 31 5.173 6.859 5.820 1.00 0.00 O ATOM 440 CB ALA A 31 4.829 3.444 5.944 1.00 0.00 C ATOM 0 H ALA A 31 7.240 3.145 6.346 1.00 0.00 H new ATOM 0 HA ALA A 31 5.851 4.782 4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.835 3.778 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.105 2.564 5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.825 3.192 7.004 1.00 0.00 H new ATOM 446 N GLU A 32 5.362 5.732 7.759 1.00 0.00 N ATOM 447 CA GLU A 32 4.981 6.871 8.585 1.00 0.00 C ATOM 448 C GLU A 32 5.750 8.124 8.173 1.00 0.00 C ATOM 449 O GLU A 32 5.156 9.159 7.870 1.00 0.00 O ATOM 450 CB GLU A 32 5.236 6.566 10.062 1.00 0.00 C ATOM 451 CG GLU A 32 4.202 5.640 10.679 1.00 0.00 C ATOM 452 CD GLU A 32 4.040 5.858 12.171 1.00 0.00 C ATOM 453 OE1 GLU A 32 3.444 6.884 12.560 1.00 0.00 O ATOM 454 OE2 GLU A 32 4.509 5.001 12.950 1.00 0.00 O ATOM 0 H GLU A 32 5.569 4.882 8.283 1.00 0.00 H new ATOM 0 HA GLU A 32 3.917 7.054 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.223 6.116 10.166 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.252 7.502 10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.242 5.794 10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.491 4.605 10.496 1.00 0.00 H new ATOM 461 N ASP A 33 7.075 8.021 8.164 1.00 0.00 N ATOM 462 CA ASP A 33 7.926 9.144 7.789 1.00 0.00 C ATOM 463 C ASP A 33 7.442 9.784 6.492 1.00 0.00 C ATOM 464 O ASP A 33 7.107 10.968 6.459 1.00 0.00 O ATOM 465 CB ASP A 33 9.376 8.683 7.634 1.00 0.00 C ATOM 466 CG ASP A 33 10.365 9.822 7.783 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.965 10.892 8.288 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.539 9.644 7.394 1.00 0.00 O ATOM 0 H ASP A 33 7.582 7.172 8.412 1.00 0.00 H new ATOM 0 HA ASP A 33 7.872 9.889 8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.593 7.918 8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.504 8.220 6.656 1.00 0.00 H new ATOM 473 N MET A 34 7.408 8.992 5.424 1.00 0.00 N ATOM 474 CA MET A 34 6.964 9.482 4.124 1.00 0.00 C ATOM 475 C MET A 34 5.839 10.501 4.282 1.00 0.00 C ATOM 476 O MET A 34 5.990 11.668 3.918 1.00 0.00 O ATOM 477 CB MET A 34 6.495 8.318 3.250 1.00 0.00 C ATOM 478 CG MET A 34 7.630 7.585 2.553 1.00 0.00 C ATOM 479 SD MET A 34 7.130 6.873 0.973 1.00 0.00 S ATOM 480 CE MET A 34 6.008 5.589 1.521 1.00 0.00 C ATOM 0 H MET A 34 7.682 8.010 5.434 1.00 0.00 H new ATOM 0 HA MET A 34 7.809 9.973 3.640 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.942 7.611 3.868 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.801 8.695 2.498 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.458 8.275 2.390 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.999 6.792 3.204 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.420 4.613 1.266 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.877 5.657 2.601 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.043 5.715 1.030 1.00 0.00 H new ATOM 490 N LEU A 35 4.713 10.052 4.825 1.00 0.00 N ATOM 491 CA LEU A 35 3.562 10.925 5.031 1.00 0.00 C ATOM 492 C LEU A 35 3.980 12.227 5.705 1.00 0.00 C ATOM 493 O LEU A 35 3.609 13.314 5.263 1.00 0.00 O ATOM 494 CB LEU A 35 2.504 10.215 5.877 1.00 0.00 C ATOM 495 CG LEU A 35 1.466 9.398 5.107 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.898 10.208 3.953 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.078 8.100 4.600 1.00 0.00 C ATOM 0 H LEU A 35 4.572 9.089 5.131 1.00 0.00 H new ATOM 0 HA LEU A 35 3.138 11.163 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.012 9.552 6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.980 10.964 6.471 1.00 0.00 H new ATOM 0 HG LEU A 35 0.650 9.151 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.161 9.610 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.422 11.109 4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.703 10.487 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.325 7.531 4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.913 8.326 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.435 7.512 5.445 1.00 0.00 H new ATOM 509 N MET A 36 4.756 12.109 6.778 1.00 0.00 N ATOM 510 CA MET A 36 5.227 13.278 7.512 1.00 0.00 C ATOM 511 C MET A 36 5.893 14.278 6.572 1.00 0.00 C ATOM 512 O MET A 36 5.856 15.486 6.808 1.00 0.00 O ATOM 513 CB MET A 36 6.210 12.858 8.606 1.00 0.00 C ATOM 514 CG MET A 36 5.639 11.836 9.576 1.00 0.00 C ATOM 515 SD MET A 36 6.467 11.859 11.177 1.00 0.00 S ATOM 516 CE MET A 36 5.091 11.528 12.275 1.00 0.00 C ATOM 0 H MET A 36 5.072 11.217 7.158 1.00 0.00 H new ATOM 0 HA MET A 36 4.364 13.758 7.973 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.105 12.445 8.140 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.520 13.742 9.163 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.576 12.031 9.718 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.725 10.840 9.141 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.444 11.511 13.306 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.339 12.309 12.162 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.651 10.562 12.026 1.00 0.00 H new ATOM 526 N ARG A 37 6.500 13.768 5.506 1.00 0.00 N ATOM 527 CA ARG A 37 7.175 14.617 4.531 1.00 0.00 C ATOM 528 C ARG A 37 6.170 15.245 3.569 1.00 0.00 C ATOM 529 O ARG A 37 6.245 16.437 3.270 1.00 0.00 O ATOM 530 CB ARG A 37 8.210 13.808 3.748 1.00 0.00 C ATOM 531 CG ARG A 37 9.436 13.434 4.565 1.00 0.00 C ATOM 532 CD ARG A 37 10.117 12.192 4.012 1.00 0.00 C ATOM 533 NE ARG A 37 11.134 12.522 3.017 1.00 0.00 N ATOM 534 CZ ARG A 37 12.148 11.722 2.709 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.280 10.550 3.316 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.033 12.093 1.793 1.00 0.00 N ATOM 0 H ARG A 37 6.539 12.771 5.295 1.00 0.00 H new ATOM 0 HA ARG A 37 7.682 15.416 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.741 12.898 3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.526 14.383 2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.140 14.266 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.145 13.260 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.577 11.636 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.369 11.538 3.563 1.00 0.00 H new ATOM 0 HE ARG A 37 11.061 13.416 2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.602 10.262 4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.060 9.937 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.935 12.994 1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.812 11.478 1.557 1.00 0.00 H new ATOM 550 N ILE A 38 5.233 14.435 3.089 1.00 0.00 N ATOM 551 CA ILE A 38 4.214 14.911 2.162 1.00 0.00 C ATOM 552 C ILE A 38 3.533 16.168 2.692 1.00 0.00 C ATOM 553 O ILE A 38 2.733 16.123 3.627 1.00 0.00 O ATOM 554 CB ILE A 38 3.146 13.834 1.898 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.809 12.486 1.608 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.250 14.249 0.740 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.898 12.561 0.561 1.00 0.00 C ATOM 0 H ILE A 38 5.158 13.446 3.327 1.00 0.00 H new ATOM 0 HA ILE A 38 4.722 15.143 1.226 1.00 0.00 H new ATOM 0 HB ILE A 38 2.529 13.730 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.231 12.092 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.047 11.779 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.500 13.477 0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.754 15.189 0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.853 14.378 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.323 11.569 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.477 12.925 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.679 13.243 0.897 1.00 0.00 H new ATOM 569 N PRO A 39 3.855 17.318 2.082 1.00 0.00 N ATOM 570 CA PRO A 39 3.283 18.609 2.474 1.00 0.00 C ATOM 571 C PRO A 39 1.805 18.721 2.118 1.00 0.00 C ATOM 572 O PRO A 39 1.187 19.767 2.315 1.00 0.00 O ATOM 573 CB PRO A 39 4.105 19.620 1.669 1.00 0.00 C ATOM 574 CG PRO A 39 4.590 18.856 0.485 1.00 0.00 C ATOM 575 CD PRO A 39 4.802 17.446 0.961 1.00 0.00 C ATOM 0 HA PRO A 39 3.328 18.764 3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.498 20.474 1.368 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.936 20.011 2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.862 18.889 -0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.516 19.281 0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.594 16.721 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.830 17.281 1.283 1.00 0.00 H new ATOM 583 N ARG A 40 1.243 17.636 1.594 1.00 0.00 N ATOM 584 CA ARG A 40 -0.163 17.613 1.211 1.00 0.00 C ATOM 585 C ARG A 40 -1.012 16.960 2.297 1.00 0.00 C ATOM 586 O ARG A 40 -0.705 15.863 2.764 1.00 0.00 O ATOM 587 CB ARG A 40 -0.341 16.863 -0.110 1.00 0.00 C ATOM 588 CG ARG A 40 0.421 17.482 -1.270 1.00 0.00 C ATOM 589 CD ARG A 40 -0.392 18.570 -1.953 1.00 0.00 C ATOM 590 NE ARG A 40 0.391 19.294 -2.951 1.00 0.00 N ATOM 591 CZ ARG A 40 1.366 20.143 -2.647 1.00 0.00 C ATOM 592 NH1 ARG A 40 1.676 20.373 -1.378 1.00 0.00 N ATOM 593 NH2 ARG A 40 2.033 20.763 -3.611 1.00 0.00 N ATOM 0 H ARG A 40 1.740 16.762 1.425 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.496 18.643 1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.012 15.832 0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.402 16.830 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.360 17.901 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.676 16.708 -1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.265 18.124 -2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.761 19.271 -1.204 1.00 0.00 H new ATOM 0 HE ARG A 40 0.177 19.139 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.165 19.898 -0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.425 21.025 -1.146 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.798 20.588 -4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.781 21.415 -3.376 1.00 0.00 H new ATOM 607 N ASP A 41 -2.080 17.643 2.696 1.00 0.00 N ATOM 608 CA ASP A 41 -2.974 17.129 3.728 1.00 0.00 C ATOM 609 C ASP A 41 -4.032 16.212 3.122 1.00 0.00 C ATOM 610 O ASP A 41 -5.190 16.599 2.969 1.00 0.00 O ATOM 611 CB ASP A 41 -3.647 18.285 4.470 1.00 0.00 C ATOM 612 CG ASP A 41 -3.836 19.506 3.591 1.00 0.00 C ATOM 613 OD1 ASP A 41 -4.168 19.333 2.400 1.00 0.00 O ATOM 614 OD2 ASP A 41 -3.652 20.634 4.095 1.00 0.00 O ATOM 0 H ASP A 41 -2.348 18.553 2.321 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.380 16.550 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.617 17.957 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.045 18.555 5.338 1.00 0.00 H new ATOM 619 N GLY A 42 -3.625 14.994 2.779 1.00 0.00 N ATOM 620 CA GLY A 42 -4.550 14.041 2.193 1.00 0.00 C ATOM 621 C GLY A 42 -3.845 12.976 1.376 1.00 0.00 C ATOM 622 O GLY A 42 -4.346 12.548 0.337 1.00 0.00 O ATOM 0 H GLY A 42 -2.672 14.650 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.126 13.564 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.260 14.571 1.558 1.00 0.00 H new ATOM 626 N ALA A 43 -2.678 12.548 1.847 1.00 0.00 N ATOM 627 CA ALA A 43 -1.903 11.526 1.154 1.00 0.00 C ATOM 628 C ALA A 43 -2.100 10.157 1.797 1.00 0.00 C ATOM 629 O ALA A 43 -2.330 10.054 3.002 1.00 0.00 O ATOM 630 CB ALA A 43 -0.428 11.899 1.142 1.00 0.00 C ATOM 0 H ALA A 43 -2.249 12.893 2.705 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.260 11.470 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.138 11.127 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.298 12.852 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.066 11.986 2.167 1.00 0.00 H new ATOM 636 N PHE A 44 -2.008 9.109 0.986 1.00 0.00 N ATOM 637 CA PHE A 44 -2.177 7.746 1.476 1.00 0.00 C ATOM 638 C PHE A 44 -1.232 6.788 0.757 1.00 0.00 C ATOM 639 O PHE A 44 -0.777 7.063 -0.354 1.00 0.00 O ATOM 640 CB PHE A 44 -3.625 7.289 1.286 1.00 0.00 C ATOM 641 CG PHE A 44 -3.919 6.787 -0.099 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.174 7.674 -1.132 1.00 0.00 C ATOM 643 CD2 PHE A 44 -3.939 5.428 -0.367 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.445 7.214 -2.407 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.209 4.962 -1.640 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.461 5.857 -2.662 1.00 0.00 C ATOM 0 H PHE A 44 -1.817 9.177 -0.014 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.936 7.737 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.845 6.499 2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.293 8.121 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.161 8.737 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.741 4.724 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.644 7.916 -3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.223 3.900 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.670 5.496 -3.658 1.00 0.00 H new ATOM 656 N LEU A 45 -0.939 5.662 1.399 1.00 0.00 N ATOM 657 CA LEU A 45 -0.047 4.662 0.823 1.00 0.00 C ATOM 658 C LEU A 45 -0.400 3.265 1.322 1.00 0.00 C ATOM 659 O LEU A 45 -0.544 3.043 2.525 1.00 0.00 O ATOM 660 CB LEU A 45 1.408 4.988 1.169 1.00 0.00 C ATOM 661 CG LEU A 45 1.938 4.388 2.472 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.481 2.988 2.233 1.00 0.00 C ATOM 663 CD2 LEU A 45 3.012 5.284 3.072 1.00 0.00 C ATOM 0 H LEU A 45 -1.306 5.419 2.319 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.170 4.682 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.041 4.645 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.514 6.072 1.222 1.00 0.00 H new ATOM 0 HG LEU A 45 1.113 4.318 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.854 2.577 3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.685 2.350 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.294 3.032 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.378 4.842 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.837 5.385 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.591 6.267 3.281 1.00 0.00 H new ATOM 675 N ILE A 46 -0.535 2.327 0.391 1.00 0.00 N ATOM 676 CA ILE A 46 -0.868 0.950 0.738 1.00 0.00 C ATOM 677 C ILE A 46 0.372 0.062 0.713 1.00 0.00 C ATOM 678 O ILE A 46 0.946 -0.190 -0.346 1.00 0.00 O ATOM 679 CB ILE A 46 -1.922 0.368 -0.222 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.232 1.150 -0.111 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.153 -1.106 0.077 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.250 0.777 -1.166 1.00 0.00 C ATOM 0 H ILE A 46 -0.419 2.494 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.278 0.968 1.748 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.552 0.459 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.664 0.981 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.017 2.216 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.900 -1.504 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.219 -1.653 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.506 -1.218 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.153 1.371 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.837 0.973 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.494 -0.282 -1.078 1.00 0.00 H new ATOM 694 N ARG A 47 0.778 -0.410 1.887 1.00 0.00 N ATOM 695 CA ARG A 47 1.949 -1.271 2.000 1.00 0.00 C ATOM 696 C ARG A 47 1.560 -2.653 2.519 1.00 0.00 C ATOM 697 O ARG A 47 0.782 -2.777 3.464 1.00 0.00 O ATOM 698 CB ARG A 47 2.985 -0.639 2.931 1.00 0.00 C ATOM 699 CG ARG A 47 2.494 -0.462 4.359 1.00 0.00 C ATOM 700 CD ARG A 47 3.601 0.046 5.270 1.00 0.00 C ATOM 701 NE ARG A 47 4.362 -1.048 5.867 1.00 0.00 N ATOM 702 CZ ARG A 47 3.848 -1.916 6.731 1.00 0.00 C ATOM 703 NH1 ARG A 47 2.577 -1.818 7.096 1.00 0.00 N ATOM 704 NH2 ARG A 47 4.605 -2.884 7.231 1.00 0.00 N ATOM 0 H ARG A 47 0.314 -0.211 2.773 1.00 0.00 H new ATOM 0 HA ARG A 47 2.383 -1.383 1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.881 -1.260 2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.274 0.333 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.659 0.239 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.119 -1.413 4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.274 0.687 4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.168 0.660 6.060 1.00 0.00 H new ATOM 0 HE ARG A 47 5.343 -1.151 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.992 -1.075 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.184 -2.486 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.583 -2.962 6.952 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.209 -3.550 7.894 1.00 0.00 H new ATOM 718 N LYS A 48 2.107 -3.689 1.892 1.00 0.00 N ATOM 719 CA LYS A 48 1.819 -5.062 2.289 1.00 0.00 C ATOM 720 C LYS A 48 2.511 -5.405 3.604 1.00 0.00 C ATOM 721 O LYS A 48 3.636 -4.973 3.855 1.00 0.00 O ATOM 722 CB LYS A 48 2.266 -6.035 1.196 1.00 0.00 C ATOM 723 CG LYS A 48 1.813 -7.466 1.432 1.00 0.00 C ATOM 724 CD LYS A 48 1.911 -8.298 0.165 1.00 0.00 C ATOM 725 CE LYS A 48 3.275 -8.960 0.037 1.00 0.00 C ATOM 726 NZ LYS A 48 3.239 -10.132 -0.880 1.00 0.00 N ATOM 0 H LYS A 48 2.752 -3.604 1.107 1.00 0.00 H new ATOM 0 HA LYS A 48 0.742 -5.154 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.878 -5.694 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.354 -6.014 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.424 -7.918 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.784 -7.468 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.134 -9.062 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.730 -7.664 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.998 -8.233 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.617 -9.279 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.187 -10.555 -0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.568 -10.838 -0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.937 -9.823 -1.826 1.00 0.00 H new ATOM 740 N ARG A 49 1.832 -6.185 4.440 1.00 0.00 N ATOM 741 CA ARG A 49 2.382 -6.585 5.729 1.00 0.00 C ATOM 742 C ARG A 49 2.930 -8.008 5.668 1.00 0.00 C ATOM 743 O ARG A 49 2.173 -8.968 5.523 1.00 0.00 O ATOM 744 CB ARG A 49 1.312 -6.485 6.818 1.00 0.00 C ATOM 745 CG ARG A 49 1.054 -5.063 7.289 1.00 0.00 C ATOM 746 CD ARG A 49 -0.171 -4.988 8.187 1.00 0.00 C ATOM 747 NE ARG A 49 -0.069 -3.905 9.162 1.00 0.00 N ATOM 748 CZ ARG A 49 0.690 -3.966 10.251 1.00 0.00 C ATOM 749 NH1 ARG A 49 1.409 -5.051 10.502 1.00 0.00 N ATOM 750 NH2 ARG A 49 0.730 -2.939 11.090 1.00 0.00 N ATOM 0 H ARG A 49 0.900 -6.552 4.247 1.00 0.00 H new ATOM 0 HA ARG A 49 3.201 -5.908 5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.381 -6.908 6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.616 -7.092 7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.926 -4.693 7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.914 -4.412 6.426 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.061 -4.842 7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.296 -5.936 8.710 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.610 -3.056 8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.381 -5.842 9.858 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.991 -5.095 11.339 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.178 -2.103 10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.313 -2.986 11.926 1.00 0.00 H new ATOM 812 N SER A 54 -2.713 -10.050 5.616 1.00 0.00 N ATOM 813 CA SER A 54 -3.514 -8.833 5.694 1.00 0.00 C ATOM 814 C SER A 54 -2.721 -7.629 5.195 1.00 0.00 C ATOM 815 O SER A 54 -1.526 -7.730 4.917 1.00 0.00 O ATOM 816 CB SER A 54 -3.976 -8.593 7.133 1.00 0.00 C ATOM 817 OG SER A 54 -4.859 -9.615 7.562 1.00 0.00 O ATOM 0 HA SER A 54 -4.388 -8.961 5.056 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.111 -8.554 7.795 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.473 -7.626 7.202 1.00 0.00 H new ATOM 0 HG SER A 54 -4.643 -10.450 7.097 1.00 0.00 H new ATOM 823 N TYR A 55 -3.396 -6.490 5.084 1.00 0.00 N ATOM 824 CA TYR A 55 -2.757 -5.265 4.616 1.00 0.00 C ATOM 825 C TYR A 55 -3.119 -4.085 5.513 1.00 0.00 C ATOM 826 O TYR A 55 -3.961 -4.203 6.403 1.00 0.00 O ATOM 827 CB TYR A 55 -3.170 -4.969 3.174 1.00 0.00 C ATOM 828 CG TYR A 55 -2.978 -6.140 2.236 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.966 -7.105 2.087 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.809 -6.280 1.499 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.794 -8.177 1.233 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.629 -7.347 0.640 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.624 -8.293 0.511 1.00 0.00 C ATOM 834 OH TYR A 55 -2.450 -9.359 -0.342 1.00 0.00 O ATOM 0 H TYR A 55 -4.385 -6.389 5.312 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.677 -5.410 4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.218 -4.671 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.592 -4.121 2.806 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.884 -7.016 2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.027 -5.542 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.571 -8.920 1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.715 -7.440 0.073 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.573 -9.292 -0.775 1.00 0.00 H new ATOM 844 N ALA A 56 -2.475 -2.948 5.271 1.00 0.00 N ATOM 845 CA ALA A 56 -2.730 -1.745 6.054 1.00 0.00 C ATOM 846 C ALA A 56 -2.423 -0.489 5.245 1.00 0.00 C ATOM 847 O ALA A 56 -1.326 -0.338 4.708 1.00 0.00 O ATOM 848 CB ALA A 56 -1.907 -1.765 7.334 1.00 0.00 C ATOM 0 H ALA A 56 -1.773 -2.835 4.539 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.788 -1.728 6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.107 -0.861 7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.177 -2.639 7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.847 -1.809 7.084 1.00 0.00 H new ATOM 854 N ILE A 57 -3.400 0.408 5.162 1.00 0.00 N ATOM 855 CA ILE A 57 -3.233 1.651 4.419 1.00 0.00 C ATOM 856 C ILE A 57 -2.915 2.812 5.355 1.00 0.00 C ATOM 857 O ILE A 57 -3.642 3.069 6.315 1.00 0.00 O ATOM 858 CB ILE A 57 -4.495 1.994 3.605 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.287 3.292 2.823 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.703 2.110 4.524 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.341 3.536 1.766 1.00 0.00 C ATOM 0 H ILE A 57 -4.315 0.297 5.600 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.398 1.500 3.734 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.680 1.189 2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.282 4.130 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.306 3.267 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.587 2.353 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.860 1.163 5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.528 2.898 5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.130 4.474 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.331 2.717 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.322 3.593 2.237 1.00 0.00 H new ATOM 873 N THR A 58 -1.822 3.514 5.067 1.00 0.00 N ATOM 874 CA THR A 58 -1.407 4.649 5.882 1.00 0.00 C ATOM 875 C THR A 58 -1.667 5.967 5.162 1.00 0.00 C ATOM 876 O THR A 58 -1.337 6.118 3.985 1.00 0.00 O ATOM 877 CB THR A 58 0.087 4.562 6.246 1.00 0.00 C ATOM 878 OG1 THR A 58 0.383 3.274 6.797 1.00 0.00 O ATOM 879 CG2 THR A 58 0.464 5.645 7.246 1.00 0.00 C ATOM 0 H THR A 58 -1.209 3.316 4.276 1.00 0.00 H new ATOM 0 HA THR A 58 -1.999 4.615 6.797 1.00 0.00 H new ATOM 0 HB THR A 58 0.669 4.710 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.270 3.301 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.524 5.564 7.488 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.265 6.625 6.813 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.126 5.523 8.154 1.00 0.00 H new ATOM 887 N PHE A 59 -2.259 6.919 5.875 1.00 0.00 N ATOM 888 CA PHE A 59 -2.563 8.225 5.303 1.00 0.00 C ATOM 889 C PHE A 59 -2.260 9.340 6.300 1.00 0.00 C ATOM 890 O PHE A 59 -1.917 9.079 7.453 1.00 0.00 O ATOM 891 CB PHE A 59 -4.032 8.291 4.880 1.00 0.00 C ATOM 892 CG PHE A 59 -4.944 7.475 5.750 1.00 0.00 C ATOM 893 CD1 PHE A 59 -4.935 6.091 5.680 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.810 8.091 6.639 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.773 5.337 6.480 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.650 7.343 7.442 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.631 5.964 7.363 1.00 0.00 C ATOM 0 H PHE A 59 -2.538 6.810 6.850 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.932 8.364 4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.360 9.330 4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.121 7.946 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.265 5.596 4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.829 9.169 6.705 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.757 4.259 6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.320 7.836 8.130 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.286 5.377 7.990 1.00 0.00 H new ATOM 907 N ARG A 60 -2.387 10.583 5.846 1.00 0.00 N ATOM 908 CA ARG A 60 -2.125 11.737 6.696 1.00 0.00 C ATOM 909 C ARG A 60 -3.423 12.292 7.276 1.00 0.00 C ATOM 910 O ARG A 60 -4.280 12.785 6.543 1.00 0.00 O ATOM 911 CB ARG A 60 -1.400 12.827 5.904 1.00 0.00 C ATOM 912 CG ARG A 60 -0.472 13.681 6.752 1.00 0.00 C ATOM 913 CD ARG A 60 0.629 14.310 5.912 1.00 0.00 C ATOM 914 NE ARG A 60 1.103 15.567 6.483 1.00 0.00 N ATOM 915 CZ ARG A 60 0.345 16.651 6.606 1.00 0.00 C ATOM 916 NH1 ARG A 60 -0.917 16.631 6.199 1.00 0.00 N ATOM 917 NH2 ARG A 60 0.848 17.758 7.136 1.00 0.00 N ATOM 0 H ARG A 60 -2.670 10.816 4.894 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.489 11.412 7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.823 12.361 5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.139 13.471 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.047 14.464 7.246 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.028 13.069 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.463 13.613 5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.258 14.488 4.903 1.00 0.00 H new ATOM 0 HE ARG A 60 2.070 15.616 6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.308 15.782 5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.497 17.465 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.818 17.778 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.265 18.589 7.230 1.00 0.00 H new ATOM 931 N ALA A 61 -3.560 12.207 8.595 1.00 0.00 N ATOM 932 CA ALA A 61 -4.752 12.702 9.272 1.00 0.00 C ATOM 933 C ALA A 61 -4.479 14.035 9.960 1.00 0.00 C ATOM 934 O ALA A 61 -4.205 14.081 11.159 1.00 0.00 O ATOM 935 CB ALA A 61 -5.250 11.677 10.281 1.00 0.00 C ATOM 0 H ALA A 61 -2.860 11.800 9.216 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.526 12.862 8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.141 12.060 10.779 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.494 10.748 9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.473 11.488 11.022 1.00 0.00 H new ATOM 941 N ARG A 62 -4.555 15.118 9.193 1.00 0.00 N ATOM 942 CA ARG A 62 -4.315 16.452 9.729 1.00 0.00 C ATOM 943 C ARG A 62 -2.933 16.539 10.371 1.00 0.00 C ATOM 944 O ARG A 62 -2.786 17.029 11.489 1.00 0.00 O ATOM 945 CB ARG A 62 -5.389 16.814 10.757 1.00 0.00 C ATOM 946 CG ARG A 62 -5.694 18.301 10.821 1.00 0.00 C ATOM 947 CD ARG A 62 -7.144 18.557 11.201 1.00 0.00 C ATOM 948 NE ARG A 62 -7.446 19.984 11.279 1.00 0.00 N ATOM 949 CZ ARG A 62 -8.675 20.481 11.189 1.00 0.00 C ATOM 950 NH1 ARG A 62 -9.710 19.670 11.021 1.00 0.00 N ATOM 951 NH2 ARG A 62 -8.869 21.791 11.269 1.00 0.00 N ATOM 0 H ARG A 62 -4.781 15.097 8.199 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.359 17.161 8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.305 16.274 10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.066 16.475 11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.037 18.777 11.548 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.484 18.758 9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.799 18.087 10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.355 18.089 12.162 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.671 20.634 11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.564 18.662 10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.653 20.054 10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.074 22.417 11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.813 22.172 11.200 1.00 0.00 H new ATOM 965 N GLY A 63 -1.921 16.059 9.653 1.00 0.00 N ATOM 966 CA GLY A 63 -0.565 16.092 10.168 1.00 0.00 C ATOM 967 C GLY A 63 -0.091 14.731 10.639 1.00 0.00 C ATOM 968 O GLY A 63 0.947 14.239 10.197 1.00 0.00 O ATOM 0 H GLY A 63 -2.017 15.648 8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.107 16.459 9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.511 16.799 10.996 1.00 0.00 H new ATOM 972 N LYS A 64 -0.853 14.121 11.541 1.00 0.00 N ATOM 973 CA LYS A 64 -0.506 12.809 12.074 1.00 0.00 C ATOM 974 C LYS A 64 -0.652 11.731 11.004 1.00 0.00 C ATOM 975 O LYS A 64 -1.253 11.961 9.955 1.00 0.00 O ATOM 976 CB LYS A 64 -1.393 12.473 13.275 1.00 0.00 C ATOM 977 CG LYS A 64 -0.887 13.052 14.585 1.00 0.00 C ATOM 978 CD LYS A 64 -1.277 12.180 15.767 1.00 0.00 C ATOM 979 CE LYS A 64 -0.231 11.109 16.039 1.00 0.00 C ATOM 980 NZ LYS A 64 -0.506 9.860 15.276 1.00 0.00 N ATOM 0 H LYS A 64 -1.715 14.515 11.918 1.00 0.00 H new ATOM 0 HA LYS A 64 0.535 12.839 12.395 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.400 12.845 13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.466 11.390 13.370 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.198 13.150 14.546 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.293 14.054 14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.402 12.802 16.654 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.240 11.708 15.570 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.755 11.488 15.772 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.208 10.886 17.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.046 9.056 15.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.532 9.697 15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.132 9.954 14.310 1.00 0.00 H new ATOM 994 N VAL A 65 -0.099 10.553 11.278 1.00 0.00 N ATOM 995 CA VAL A 65 -0.170 9.439 10.340 1.00 0.00 C ATOM 996 C VAL A 65 -1.177 8.393 10.805 1.00 0.00 C ATOM 997 O VAL A 65 -0.944 7.682 11.783 1.00 0.00 O ATOM 998 CB VAL A 65 1.205 8.769 10.161 1.00 0.00 C ATOM 999 CG1 VAL A 65 1.095 7.566 9.236 1.00 0.00 C ATOM 1000 CG2 VAL A 65 2.220 9.769 9.629 1.00 0.00 C ATOM 0 H VAL A 65 0.403 10.346 12.142 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.493 9.850 9.383 1.00 0.00 H new ATOM 0 HB VAL A 65 1.549 8.420 11.134 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.076 7.105 9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.401 6.841 9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.729 7.889 8.261 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.186 9.278 9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.884 10.150 8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.319 10.596 10.332 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.298 8.304 10.098 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.342 7.343 10.436 1.00 0.00 C ATOM 1012 C LYS A 66 -3.079 5.997 9.768 1.00 0.00 C ATOM 1013 O LYS A 66 -2.361 5.917 8.771 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.712 7.876 10.010 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.876 7.142 10.651 1.00 0.00 C ATOM 1016 CD LYS A 66 -6.017 7.496 12.122 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.982 6.559 12.831 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.303 5.325 13.315 1.00 0.00 N ATOM 0 H LYS A 66 -2.507 8.886 9.287 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.334 7.201 11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.776 8.934 10.264 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.800 7.803 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.798 7.391 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.731 6.067 10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.041 7.447 12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.369 8.523 12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.438 7.077 13.675 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.789 6.286 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.995 4.713 13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.890 4.817 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.549 5.583 13.984 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.666 4.941 10.324 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.496 3.598 9.780 1.00 0.00 C ATOM 1034 C HIS A 67 -4.802 2.814 9.853 1.00 0.00 C ATOM 1035 O HIS A 67 -5.459 2.779 10.894 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.397 2.853 10.539 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.138 3.647 10.701 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.006 3.426 9.945 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.836 4.668 11.538 1.00 0.00 C ATOM 1040 CE1 HIS A 67 0.938 4.274 10.312 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.460 5.039 11.276 1.00 0.00 N ATOM 0 H HIS A 67 -4.263 4.989 11.150 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.206 3.690 8.733 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.771 2.576 11.524 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.167 1.926 10.013 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.492 5.108 12.274 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.932 4.332 9.894 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.970 5.785 11.749 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.173 2.187 8.742 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.402 1.404 8.680 1.00 0.00 C ATOM 1052 C CYS A 68 -6.098 -0.063 8.391 1.00 0.00 C ATOM 1053 O CYS A 68 -5.430 -0.387 7.409 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.334 1.965 7.605 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.087 1.630 7.900 1.00 0.00 S ATOM 0 H CYS A 68 -4.640 2.206 7.872 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.895 1.470 9.650 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.187 3.043 7.539 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.052 1.545 6.640 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.803 2.589 7.393 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.592 -0.944 9.255 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.371 -2.377 9.094 1.00 0.00 C ATOM 1063 C ARG A 69 -7.234 -2.937 7.968 1.00 0.00 C ATOM 1064 O ARG A 69 -8.417 -2.611 7.858 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.678 -3.111 10.401 1.00 0.00 C ATOM 1066 CG ARG A 69 -6.068 -4.501 10.476 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.554 -4.438 10.613 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.003 -5.673 11.164 1.00 0.00 N ATOM 1069 CZ ARG A 69 -4.121 -6.026 12.439 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -4.768 -5.242 13.290 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -3.592 -7.166 12.865 1.00 0.00 N ATOM 0 H ARG A 69 -7.147 -0.692 10.073 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.323 -2.532 8.836 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.310 -2.516 11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.759 -3.191 10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.489 -5.039 11.325 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.330 -5.064 9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.109 -4.247 9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.283 -3.601 11.256 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.500 -6.299 10.535 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.177 -4.365 12.966 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.857 -5.515 14.269 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.094 -7.772 12.213 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.683 -7.436 13.844 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.635 -3.781 7.134 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.349 -4.386 6.017 1.00 0.00 C ATOM 1087 C ILE A 70 -7.467 -5.896 6.195 1.00 0.00 C ATOM 1088 O ILE A 70 -6.511 -6.562 6.589 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.652 -4.091 4.676 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.563 -2.581 4.445 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.396 -4.764 3.533 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.414 -2.174 3.549 1.00 0.00 C ATOM 0 H ILE A 70 -5.657 -4.061 7.211 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.345 -3.944 6.003 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.640 -4.495 4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.497 -2.233 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.458 -2.080 5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.891 -4.546 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.413 -5.842 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.418 -4.387 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.412 -1.091 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.473 -2.491 3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.528 -2.647 2.573 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.647 -6.431 5.898 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.891 -7.864 6.023 1.00 0.00 C ATOM 1106 C ASN A 71 -9.290 -8.467 4.680 1.00 0.00 C ATOM 1107 O ASN A 71 -9.463 -7.751 3.693 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.985 -8.128 7.060 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.468 -8.036 8.482 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -8.615 -7.204 8.792 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -9.983 -8.894 9.355 1.00 0.00 N ATOM 0 H ASN A 71 -9.449 -5.894 5.569 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.966 -8.337 6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.793 -7.409 6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.408 -9.119 6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.673 -8.880 10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.688 -9.567 9.054 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.437 -9.788 4.651 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.816 -10.487 3.429 1.00 0.00 C ATOM 1120 C ARG A 72 -10.969 -11.451 3.691 1.00 0.00 C ATOM 1121 O ARG A 72 -10.874 -12.332 4.546 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.618 -11.251 2.861 1.00 0.00 C ATOM 1123 CG ARG A 72 -7.626 -10.366 2.124 1.00 0.00 C ATOM 1124 CD ARG A 72 -8.124 -10.012 0.731 1.00 0.00 C ATOM 1125 NE ARG A 72 -7.806 -11.051 -0.244 1.00 0.00 N ATOM 1126 CZ ARG A 72 -8.626 -12.053 -0.544 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -9.806 -12.150 0.053 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -8.265 -12.960 -1.443 1.00 0.00 N ATOM 0 H ARG A 72 -9.299 -10.395 5.459 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.143 -9.744 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.103 -11.760 3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.979 -12.023 2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.458 -9.453 2.695 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.666 -10.877 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.203 -9.860 0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.677 -9.069 0.415 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.906 -11.005 -0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.086 -11.455 0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.433 -12.920 -0.179 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.358 -12.888 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.895 -13.729 -1.673 1.00 0.00 H new ATOM 1142 N ASP A 73 -12.058 -11.278 2.949 1.00 0.00 N ATOM 1143 CA ASP A 73 -13.230 -12.133 3.099 1.00 0.00 C ATOM 1144 C ASP A 73 -13.361 -13.088 1.917 1.00 0.00 C ATOM 1145 O ASP A 73 -14.462 -13.341 1.430 1.00 0.00 O ATOM 1146 CB ASP A 73 -14.494 -11.282 3.227 1.00 0.00 C ATOM 1147 CG ASP A 73 -15.641 -12.042 3.865 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.750 -12.017 5.109 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -16.430 -12.660 3.120 1.00 0.00 O ATOM 0 H ASP A 73 -12.153 -10.553 2.238 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.106 -12.724 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.273 -10.396 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.797 -10.935 2.239 1.00 0.00 H new ATOM 1154 N GLY A 74 -12.230 -13.615 1.460 1.00 0.00 N ATOM 1155 CA GLY A 74 -12.240 -14.535 0.337 1.00 0.00 C ATOM 1156 C GLY A 74 -12.770 -13.896 -0.931 1.00 0.00 C ATOM 1157 O GLY A 74 -11.997 -13.457 -1.783 1.00 0.00 O ATOM 0 H GLY A 74 -11.306 -13.422 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.228 -14.900 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.852 -15.402 0.587 1.00 0.00 H new ATOM 1161 N ARG A 75 -14.092 -13.846 -1.058 1.00 0.00 N ATOM 1162 CA ARG A 75 -14.725 -13.259 -2.234 1.00 0.00 C ATOM 1163 C ARG A 75 -14.015 -11.973 -2.648 1.00 0.00 C ATOM 1164 O ARG A 75 -13.608 -11.820 -3.800 1.00 0.00 O ATOM 1165 CB ARG A 75 -16.201 -12.972 -1.955 1.00 0.00 C ATOM 1166 CG ARG A 75 -16.991 -14.200 -1.533 1.00 0.00 C ATOM 1167 CD ARG A 75 -17.534 -14.953 -2.737 1.00 0.00 C ATOM 1168 NE ARG A 75 -18.621 -15.858 -2.372 1.00 0.00 N ATOM 1169 CZ ARG A 75 -18.433 -17.021 -1.756 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -17.208 -17.417 -1.439 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -19.473 -17.789 -1.457 1.00 0.00 N ATOM 0 H ARG A 75 -14.746 -14.205 -0.362 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.650 -13.975 -3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.274 -12.217 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.656 -12.548 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.353 -14.861 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.816 -13.899 -0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -17.890 -14.240 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.729 -15.522 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 75 -19.576 -15.583 -2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.407 -16.829 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.067 -18.310 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.417 -17.487 -1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.329 -18.681 -0.984 1.00 0.00 H new ATOM 1185 N HIS A 76 -13.870 -11.051 -1.701 1.00 0.00 N ATOM 1186 CA HIS A 76 -13.209 -9.779 -1.968 1.00 0.00 C ATOM 1187 C HIS A 76 -12.479 -9.276 -0.726 1.00 0.00 C ATOM 1188 O HIS A 76 -12.424 -9.961 0.295 1.00 0.00 O ATOM 1189 CB HIS A 76 -14.229 -8.738 -2.430 1.00 0.00 C ATOM 1190 CG HIS A 76 -15.307 -9.302 -3.303 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.238 -9.941 -4.495 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -16.647 -9.239 -2.981 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -16.523 -10.251 -4.866 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -17.354 -9.817 -3.935 1.00 0.00 N flip ATOM 0 H HIS A 76 -14.201 -11.161 -0.743 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.477 -9.937 -2.760 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.686 -8.276 -1.555 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.709 -7.948 -2.973 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -14.389 -10.153 -5.020 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.054 -8.788 -2.088 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.808 -10.766 -5.772 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.918 -8.075 -0.822 1.00 0.00 N ATOM 1204 CA PHE A 77 -11.188 -7.481 0.292 1.00 0.00 C ATOM 1205 C PHE A 77 -12.141 -6.767 1.247 1.00 0.00 C ATOM 1206 O PHE A 77 -13.306 -6.536 0.922 1.00 0.00 O ATOM 1207 CB PHE A 77 -10.136 -6.498 -0.225 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.987 -7.164 -0.926 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -9.211 -8.025 -1.988 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.682 -6.931 -0.521 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -8.155 -8.640 -2.635 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.623 -7.542 -1.165 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.860 -8.398 -2.222 1.00 0.00 C ATOM 0 H PHE A 77 -11.955 -7.494 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.689 -8.283 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.612 -5.796 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.752 -5.915 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.222 -8.218 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.491 -6.265 0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -8.343 -9.309 -3.462 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.611 -7.350 -0.842 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.033 -8.878 -2.725 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.637 -6.420 2.427 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.442 -5.732 3.430 1.00 0.00 C ATOM 1225 C VAL A 78 -11.652 -4.609 4.092 1.00 0.00 C ATOM 1226 O VAL A 78 -10.650 -4.852 4.766 1.00 0.00 O ATOM 1227 CB VAL A 78 -12.937 -6.706 4.516 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -13.876 -5.997 5.480 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.620 -7.908 3.882 1.00 0.00 C ATOM 0 H VAL A 78 -10.675 -6.604 2.712 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.303 -5.310 2.911 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.075 -7.062 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.216 -6.700 6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.350 -5.171 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.736 -5.611 4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.963 -8.586 4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.473 -7.573 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.914 -8.429 3.235 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.110 -3.377 3.896 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.446 -2.214 4.474 1.00 0.00 C ATOM 1241 C LEU A 79 -11.889 -1.997 5.918 1.00 0.00 C ATOM 1242 O LEU A 79 -11.084 -2.087 6.845 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.747 -0.965 3.644 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.808 0.223 3.853 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -10.845 0.684 5.302 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -9.388 -0.141 3.444 1.00 0.00 C ATOM 0 H LEU A 79 -12.938 -3.158 3.342 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.372 -2.398 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.723 -1.240 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.764 -0.642 3.866 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.147 1.045 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.170 1.530 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.860 0.985 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.531 -0.133 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.733 0.717 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.039 -0.978 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.373 -0.422 2.391 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.174 -1.712 6.101 1.00 0.00 N ATOM 1259 CA GLY A 80 -13.702 -1.489 7.435 1.00 0.00 C ATOM 1260 C GLY A 80 -15.014 -2.211 7.668 1.00 0.00 C ATOM 1261 O GLY A 80 -15.029 -3.401 7.986 1.00 0.00 O ATOM 0 H GLY A 80 -13.859 -1.631 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.971 -1.823 8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.847 -0.420 7.591 1.00 0.00 H new ATOM 1265 N THR A 81 -16.120 -1.492 7.511 1.00 0.00 N ATOM 1266 CA THR A 81 -17.443 -2.070 7.709 1.00 0.00 C ATOM 1267 C THR A 81 -18.214 -2.143 6.396 1.00 0.00 C ATOM 1268 O THR A 81 -18.166 -1.218 5.585 1.00 0.00 O ATOM 1269 CB THR A 81 -18.264 -1.259 8.729 1.00 0.00 C ATOM 1270 OG1 THR A 81 -17.560 -1.180 9.973 1.00 0.00 O ATOM 1271 CG2 THR A 81 -19.629 -1.893 8.951 1.00 0.00 C ATOM 0 H THR A 81 -16.126 -0.507 7.247 1.00 0.00 H new ATOM 0 HA THR A 81 -17.292 -3.078 8.095 1.00 0.00 H new ATOM 0 HB THR A 81 -18.408 -0.255 8.330 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.088 -0.661 10.615 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.191 -1.303 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 81 -20.174 -1.924 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 81 -19.502 -2.907 9.330 1.00 0.00 H new ATOM 1279 N SER A 82 -18.924 -3.248 6.192 1.00 0.00 N ATOM 1280 CA SER A 82 -19.703 -3.442 4.975 1.00 0.00 C ATOM 1281 C SER A 82 -18.951 -2.911 3.758 1.00 0.00 C ATOM 1282 O SER A 82 -19.558 -2.426 2.803 1.00 0.00 O ATOM 1283 CB SER A 82 -21.060 -2.745 5.095 1.00 0.00 C ATOM 1284 OG SER A 82 -21.995 -3.288 4.180 1.00 0.00 O ATOM 0 H SER A 82 -18.976 -4.022 6.854 1.00 0.00 H new ATOM 0 HA SER A 82 -19.863 -4.512 4.843 1.00 0.00 H new ATOM 0 HB2 SER A 82 -21.438 -2.851 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.942 -1.678 4.908 1.00 0.00 H new ATOM 0 HG SER A 82 -21.622 -3.257 3.274 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.627 -3.005 3.801 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.791 -2.536 2.702 1.00 0.00 C ATOM 1292 C ALA A 83 -16.154 -3.706 1.959 1.00 0.00 C ATOM 1293 O ALA A 83 -15.309 -4.415 2.506 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.718 -1.591 3.222 1.00 0.00 C ATOM 0 H ALA A 83 -17.109 -3.402 4.585 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.426 -1.996 1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.101 -1.248 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.190 -0.733 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.093 -2.113 3.947 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.565 -3.901 0.711 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.036 -4.987 -0.106 1.00 0.00 C ATOM 1302 C TYR A 84 -15.398 -4.447 -1.382 1.00 0.00 C ATOM 1303 O TYR A 84 -15.989 -3.631 -2.089 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.149 -5.976 -0.458 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.516 -6.903 0.678 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -18.107 -6.414 1.837 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.274 -8.269 0.593 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.443 -7.258 2.878 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.609 -9.120 1.628 1.00 0.00 C ATOM 1310 CZ TYR A 84 -18.193 -8.610 2.769 1.00 0.00 C ATOM 1311 OH TYR A 84 -18.528 -9.453 3.803 1.00 0.00 O ATOM 0 H TYR A 84 -17.262 -3.322 0.243 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.269 -5.503 0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.035 -5.419 -0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.836 -6.572 -1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.307 -5.356 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.816 -8.672 -0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.899 -6.861 3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.415 -10.179 1.544 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.287 -10.373 3.566 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.186 -4.910 -1.671 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.465 -4.475 -2.861 1.00 0.00 C ATOM 1323 C PHE A 85 -12.676 -5.629 -3.472 1.00 0.00 C ATOM 1324 O PHE A 85 -11.738 -6.143 -2.864 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.520 -3.322 -2.518 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.230 -2.082 -2.055 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -13.641 -1.122 -2.967 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.487 -1.875 -0.710 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.294 0.020 -2.544 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.140 -0.735 -0.281 1.00 0.00 C ATOM 1331 CZ PHE A 85 -14.545 0.213 -1.199 1.00 0.00 C ATOM 0 H PHE A 85 -13.683 -5.587 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.197 -4.131 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.830 -3.648 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.920 -3.081 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.449 -1.268 -4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.173 -2.614 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.608 0.761 -3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.333 -0.586 0.771 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.057 1.104 -0.867 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.066 -6.032 -4.678 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.396 -7.126 -5.370 1.00 0.00 C ATOM 1343 C GLU A 86 -10.881 -7.020 -5.218 1.00 0.00 C ATOM 1344 O GLU A 86 -10.195 -8.023 -5.022 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.772 -7.127 -6.853 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.503 -8.451 -7.549 1.00 0.00 C ATOM 1347 CD GLU A 86 -11.022 -8.731 -7.716 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -10.382 -8.056 -8.549 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -10.504 -9.626 -7.015 1.00 0.00 O ATOM 0 H GLU A 86 -13.842 -5.617 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.724 -8.062 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.830 -6.883 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.215 -6.340 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.959 -9.258 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.981 -8.446 -8.529 1.00 0.00 H new ATOM 1356 N SER A 87 -10.367 -5.798 -5.312 1.00 0.00 N ATOM 1357 CA SER A 87 -8.934 -5.561 -5.190 1.00 0.00 C ATOM 1358 C SER A 87 -8.658 -4.141 -4.703 1.00 0.00 C ATOM 1359 O SER A 87 -9.464 -3.234 -4.910 1.00 0.00 O ATOM 1360 CB SER A 87 -8.240 -5.795 -6.533 1.00 0.00 C ATOM 1361 OG SER A 87 -8.890 -5.086 -7.574 1.00 0.00 O ATOM 0 H SER A 87 -10.922 -4.957 -5.472 1.00 0.00 H new ATOM 0 HA SER A 87 -8.536 -6.263 -4.457 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.199 -5.478 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.235 -6.861 -6.763 1.00 0.00 H new ATOM 0 HG SER A 87 -8.426 -5.251 -8.421 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.513 -3.957 -4.055 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.129 -2.649 -3.537 1.00 0.00 C ATOM 1369 C LEU A 88 -7.318 -1.567 -4.596 1.00 0.00 C ATOM 1370 O LEU A 88 -7.518 -0.396 -4.274 1.00 0.00 O ATOM 1371 CB LEU A 88 -5.673 -2.671 -3.069 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.401 -3.408 -1.757 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -3.913 -3.676 -1.594 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -5.933 -2.609 -0.576 1.00 0.00 C ATOM 0 H LEU A 88 -6.834 -4.697 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.773 -2.418 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.068 -3.128 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.331 -1.642 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.921 -4.366 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.739 -4.201 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.561 -4.289 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.372 -2.730 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.731 -3.149 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.442 -1.637 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.008 -2.469 -0.686 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.255 -1.968 -5.862 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.422 -1.035 -6.969 1.00 0.00 C ATOM 1388 C VAL A 89 -8.741 -0.278 -6.855 1.00 0.00 C ATOM 1389 O VAL A 89 -8.762 0.952 -6.833 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.375 -1.760 -8.327 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.548 -0.769 -9.468 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.072 -2.531 -8.473 1.00 0.00 C ATOM 0 H VAL A 89 -7.089 -2.934 -6.146 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.594 -0.328 -6.914 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.199 -2.472 -8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.512 -1.300 -10.419 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.510 -0.265 -9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.747 -0.031 -9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.055 -3.037 -9.438 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.231 -1.840 -8.411 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.994 -3.269 -7.675 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.840 -1.023 -6.783 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.163 -0.421 -6.671 1.00 0.00 C ATOM 1404 C GLU A 90 -11.287 0.387 -5.383 1.00 0.00 C ATOM 1405 O GLU A 90 -11.801 1.506 -5.385 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.245 -1.503 -6.714 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.233 -2.325 -7.991 1.00 0.00 C ATOM 1408 CD GLU A 90 -12.157 -1.466 -9.238 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -13.042 -0.604 -9.420 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -11.212 -1.656 -10.032 1.00 0.00 O ATOM 0 H GLU A 90 -9.840 -2.043 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.299 0.254 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.114 -2.170 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.222 -1.032 -6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.383 -3.007 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.133 -2.939 -8.032 1.00 0.00 H new ATOM 1417 N LEU A 91 -10.813 -0.188 -4.283 1.00 0.00 N ATOM 1418 CA LEU A 91 -10.870 0.477 -2.986 1.00 0.00 C ATOM 1419 C LEU A 91 -10.509 1.953 -3.115 1.00 0.00 C ATOM 1420 O LEU A 91 -11.306 2.829 -2.778 1.00 0.00 O ATOM 1421 CB LEU A 91 -9.923 -0.207 -1.998 1.00 0.00 C ATOM 1422 CG LEU A 91 -9.811 0.441 -0.618 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.798 -0.192 0.351 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -8.390 0.323 -0.087 1.00 0.00 C ATOM 0 H LEU A 91 -10.385 -1.114 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.891 0.403 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.250 -1.239 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.929 -0.241 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.055 1.499 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.704 0.282 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.813 -0.055 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.586 -1.257 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.329 0.790 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.118 -0.729 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.704 0.824 -0.770 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.304 2.222 -3.607 1.00 0.00 N ATOM 1437 CA VAL A 92 -8.839 3.592 -3.784 1.00 0.00 C ATOM 1438 C VAL A 92 -9.718 4.348 -4.774 1.00 0.00 C ATOM 1439 O VAL A 92 -10.154 5.467 -4.505 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.380 3.631 -4.276 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.938 5.065 -4.525 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.462 2.947 -3.274 1.00 0.00 C ATOM 0 H VAL A 92 -8.632 1.509 -3.890 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.899 4.074 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.318 3.089 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.905 5.072 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.578 5.517 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.014 5.635 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.435 2.984 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.526 3.459 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.767 1.908 -3.152 1.00 0.00 H new ATOM 1452 N SER A 93 -9.975 3.727 -5.921 1.00 0.00 N ATOM 1453 CA SER A 93 -10.800 4.342 -6.955 1.00 0.00 C ATOM 1454 C SER A 93 -12.092 4.897 -6.360 1.00 0.00 C ATOM 1455 O SER A 93 -12.533 5.990 -6.716 1.00 0.00 O ATOM 1456 CB SER A 93 -11.125 3.325 -8.050 1.00 0.00 C ATOM 1457 OG SER A 93 -9.951 2.913 -8.728 1.00 0.00 O ATOM 0 H SER A 93 -9.624 2.799 -6.158 1.00 0.00 H new ATOM 0 HA SER A 93 -10.237 5.167 -7.392 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.618 2.458 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.825 3.763 -8.762 1.00 0.00 H new ATOM 0 HG SER A 93 -9.472 2.255 -8.182 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.693 4.134 -5.454 1.00 0.00 N ATOM 1464 CA TYR A 94 -13.935 4.547 -4.811 1.00 0.00 C ATOM 1465 C TYR A 94 -13.699 5.731 -3.878 1.00 0.00 C ATOM 1466 O TYR A 94 -14.361 6.763 -3.987 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.541 3.380 -4.029 1.00 0.00 C ATOM 1468 CG TYR A 94 -15.835 3.728 -3.328 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -17.053 3.631 -3.988 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -15.838 4.152 -2.005 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.237 3.949 -3.352 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -17.018 4.470 -1.360 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.215 4.367 -2.038 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.392 4.683 -1.400 1.00 0.00 O ATOM 0 H TYR A 94 -12.341 3.227 -5.148 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.632 4.856 -5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.720 2.550 -4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -13.818 3.035 -3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -17.075 3.301 -5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -14.902 4.234 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.175 3.871 -3.881 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -17.003 4.797 -0.331 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.201 4.959 -0.479 1.00 0.00 H new ATOM 1484 N TYR A 95 -12.750 5.574 -2.962 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.426 6.628 -2.009 1.00 0.00 C ATOM 1486 C TYR A 95 -12.144 7.944 -2.727 1.00 0.00 C ATOM 1487 O TYR A 95 -12.570 9.010 -2.281 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.216 6.226 -1.163 1.00 0.00 C ATOM 1489 CG TYR A 95 -11.564 5.331 0.005 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -12.276 5.821 1.092 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -11.179 3.996 0.021 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -12.596 5.008 2.162 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -11.495 3.175 1.086 1.00 0.00 C ATOM 1494 CZ TYR A 95 -12.204 3.685 2.154 1.00 0.00 C ATOM 1495 OH TYR A 95 -12.519 2.871 3.217 1.00 0.00 O ATOM 0 H TYR A 95 -12.192 4.727 -2.860 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.287 6.769 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.493 5.715 -1.798 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -10.730 7.127 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -12.585 6.856 1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.623 3.594 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -13.150 5.405 3.000 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -11.189 2.139 1.083 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.973 2.066 2.890 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.424 7.861 -3.841 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.085 9.045 -4.621 1.00 0.00 C ATOM 1507 C GLU A 96 -12.222 10.063 -4.588 1.00 0.00 C ATOM 1508 O GLU A 96 -11.988 11.270 -4.528 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.775 8.658 -6.069 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.383 8.080 -6.259 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.971 8.019 -7.717 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -8.654 9.083 -8.290 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -8.965 6.907 -8.286 1.00 0.00 O ATOM 0 H GLU A 96 -11.064 6.986 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.200 9.500 -4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.511 7.929 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.884 9.538 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.664 8.685 -5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.349 7.077 -5.833 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.454 9.566 -4.627 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.628 10.429 -4.601 1.00 0.00 C ATOM 1522 C LYS A 97 -15.233 10.482 -3.202 1.00 0.00 C ATOM 1523 O LYS A 97 -15.484 11.561 -2.663 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.674 9.933 -5.602 1.00 0.00 C ATOM 1525 CG LYS A 97 -15.241 10.068 -7.051 1.00 0.00 C ATOM 1526 CD LYS A 97 -15.231 11.520 -7.497 1.00 0.00 C ATOM 1527 CE LYS A 97 -14.226 11.753 -8.615 1.00 0.00 C ATOM 1528 NZ LYS A 97 -12.823 11.692 -8.121 1.00 0.00 N ATOM 0 H LYS A 97 -13.665 8.569 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.315 11.435 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.896 8.886 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.599 10.491 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.246 9.641 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.915 9.495 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.227 11.804 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.989 12.161 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.370 11.004 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.409 12.726 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.189 12.130 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.750 12.204 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.548 10.699 -7.978 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.464 9.311 -2.617 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.037 9.225 -1.278 1.00 0.00 C ATOM 1544 C HIS A 98 -14.960 9.405 -0.213 1.00 0.00 C ATOM 1545 O HIS A 98 -13.900 8.784 -0.277 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.740 7.880 -1.087 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.018 7.758 -1.857 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.291 7.134 -3.027 1.00 0.00 N flip ATOM 1549 CD2 HIS A 98 -19.206 8.320 -1.439 1.00 0.00 C flip ATOM 1550 CE1 HIS A 98 -19.625 7.328 -3.290 1.00 0.00 C flip ATOM 1551 NE2 HIS A 98 -20.154 8.046 -2.317 1.00 0.00 N flip ATOM 0 H HIS A 98 -15.263 8.409 -3.049 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.767 10.027 -1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.065 7.080 -1.391 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -16.949 7.736 -0.027 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -19.340 8.895 -0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.155 6.954 -4.153 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -21.129 8.339 -2.254 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.240 10.260 0.765 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.296 10.522 1.845 1.00 0.00 C ATOM 1562 C ALA A 99 -13.807 9.221 2.473 1.00 0.00 C ATOM 1563 O ALA A 99 -14.365 8.151 2.225 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.934 11.412 2.900 1.00 0.00 C ATOM 0 H ALA A 99 -16.113 10.783 0.832 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.434 11.039 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.218 11.599 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.228 12.359 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.814 10.917 3.310 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.761 9.319 3.286 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.196 8.150 3.950 1.00 0.00 C ATOM 1572 C LEU A 100 -12.415 8.220 5.458 1.00 0.00 C ATOM 1573 O LEU A 100 -12.893 7.266 6.072 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.701 8.038 3.645 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.880 7.187 4.614 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.189 5.710 4.421 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.393 7.451 4.428 1.00 0.00 C ATOM 0 H LEU A 100 -12.287 10.196 3.501 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.706 7.265 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.585 7.625 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.278 9.042 3.627 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.153 7.465 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.595 5.120 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.249 5.533 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.945 5.418 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.824 6.837 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.104 7.202 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.184 8.504 4.618 1.00 0.00 H new ATOM 1589 N TYR A 101 -12.064 9.357 6.049 1.00 0.00 N ATOM 1590 CA TYR A 101 -12.222 9.553 7.485 1.00 0.00 C ATOM 1591 C TYR A 101 -13.527 10.280 7.796 1.00 0.00 C ATOM 1592 O TYR A 101 -14.441 9.711 8.392 1.00 0.00 O ATOM 1593 CB TYR A 101 -11.038 10.343 8.046 1.00 0.00 C ATOM 1594 CG TYR A 101 -10.873 10.204 9.543 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -11.879 10.607 10.413 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.711 9.672 10.087 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -11.733 10.482 11.781 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.556 9.543 11.454 1.00 0.00 C ATOM 1599 CZ TYR A 101 -10.570 9.949 12.297 1.00 0.00 C ATOM 1600 OH TYR A 101 -10.419 9.824 13.659 1.00 0.00 O ATOM 0 H TYR A 101 -11.668 10.157 5.555 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.253 8.572 7.959 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -10.124 10.009 7.555 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -11.165 11.397 7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -12.791 11.025 10.013 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.915 9.354 9.430 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -12.525 10.800 12.443 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.646 9.127 11.860 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.544 9.430 13.856 1.00 0.00 H new ATOM 1610 N ARG A 102 -13.605 11.542 7.385 1.00 0.00 N ATOM 1611 CA ARG A 102 -14.797 12.349 7.619 1.00 0.00 C ATOM 1612 C ARG A 102 -15.189 13.117 6.361 1.00 0.00 C ATOM 1613 O ARG A 102 -16.267 12.910 5.804 1.00 0.00 O ATOM 1614 CB ARG A 102 -14.559 13.325 8.773 1.00 0.00 C ATOM 1615 CG ARG A 102 -14.932 12.761 10.134 1.00 0.00 C ATOM 1616 CD ARG A 102 -14.072 13.357 11.238 1.00 0.00 C ATOM 1617 NE ARG A 102 -14.642 14.592 11.770 1.00 0.00 N ATOM 1618 CZ ARG A 102 -13.936 15.505 12.427 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -12.638 15.324 12.630 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -14.526 16.603 12.881 1.00 0.00 N ATOM 0 H ARG A 102 -12.858 12.027 6.889 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.614 11.678 7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -13.508 13.612 8.784 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -15.136 14.233 8.595 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.983 12.966 10.339 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.815 11.677 10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -13.963 12.631 12.044 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.073 13.556 10.851 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.638 14.763 11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.180 14.482 12.281 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.098 16.027 13.135 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.524 16.747 12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.982 17.303 13.385 1.00 0.00 H new ATOM 1634 N LYS A 103 -14.306 14.006 5.917 1.00 0.00 N ATOM 1635 CA LYS A 103 -14.558 14.805 4.724 1.00 0.00 C ATOM 1636 C LYS A 103 -13.397 14.695 3.740 1.00 0.00 C ATOM 1637 O LYS A 103 -13.593 14.755 2.527 1.00 0.00 O ATOM 1638 CB LYS A 103 -14.780 16.271 5.105 1.00 0.00 C ATOM 1639 CG LYS A 103 -16.189 16.567 5.587 1.00 0.00 C ATOM 1640 CD LYS A 103 -17.151 16.742 4.423 1.00 0.00 C ATOM 1641 CE LYS A 103 -18.598 16.612 4.871 1.00 0.00 C ATOM 1642 NZ LYS A 103 -19.113 17.879 5.460 1.00 0.00 N ATOM 0 H LYS A 103 -13.409 14.191 6.366 1.00 0.00 H new ATOM 0 HA LYS A 103 -15.457 14.420 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.072 16.546 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.561 16.899 4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -16.534 15.755 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -16.184 17.471 6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -16.997 17.720 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -16.938 15.996 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -19.217 16.329 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -18.680 15.811 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -20.102 17.749 5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -18.538 18.136 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -19.059 18.638 4.752 1.00 0.00 H new ATOM 1656 N MET A 104 -12.190 14.532 4.272 1.00 0.00 N ATOM 1657 CA MET A 104 -10.999 14.410 3.439 1.00 0.00 C ATOM 1658 C MET A 104 -10.979 13.069 2.711 1.00 0.00 C ATOM 1659 O MET A 104 -11.383 12.046 3.265 1.00 0.00 O ATOM 1660 CB MET A 104 -9.737 14.560 4.291 1.00 0.00 C ATOM 1661 CG MET A 104 -8.455 14.241 3.540 1.00 0.00 C ATOM 1662 SD MET A 104 -7.153 13.619 4.621 1.00 0.00 S ATOM 1663 CE MET A 104 -7.309 11.854 4.357 1.00 0.00 C ATOM 0 H MET A 104 -12.011 14.481 5.275 1.00 0.00 H new ATOM 0 HA MET A 104 -11.023 15.206 2.695 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.683 15.581 4.668 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.814 13.903 5.158 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.665 13.501 2.768 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.103 15.139 3.033 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.568 11.329 4.960 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.308 11.530 4.647 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.146 11.628 3.303 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.507 13.083 1.469 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.437 11.868 0.666 1.00 0.00 C ATOM 1675 C ARG A 105 -9.064 11.726 0.015 1.00 0.00 C ATOM 1676 O ARG A 105 -8.303 12.691 -0.072 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.525 11.878 -0.410 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.298 12.917 -1.495 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.614 13.436 -2.053 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.434 14.657 -2.834 1.00 0.00 N ATOM 1681 CZ ARG A 105 -12.250 15.856 -2.293 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -12.221 15.994 -0.975 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -12.094 16.919 -3.071 1.00 0.00 N ATOM 0 H ARG A 105 -10.168 13.921 0.997 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.597 11.016 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.579 10.891 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.490 12.063 0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.720 13.748 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.707 12.481 -2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.070 12.669 -2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.305 13.629 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.451 14.585 -3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.340 15.178 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.080 16.916 -0.562 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.115 16.816 -4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -11.953 17.839 -2.655 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.753 10.517 -0.440 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.472 10.248 -1.083 1.00 0.00 C ATOM 1699 C LEU A 106 -7.308 11.091 -2.344 1.00 0.00 C ATOM 1700 O LEU A 106 -7.771 10.712 -3.420 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.355 8.763 -1.430 1.00 0.00 C ATOM 1702 CG LEU A 106 -7.882 7.785 -0.379 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.563 6.352 -0.776 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.296 8.105 0.988 1.00 0.00 C ATOM 0 H LEU A 106 -9.371 9.708 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.679 10.515 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.889 8.585 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.305 8.535 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.965 7.892 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.946 5.670 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.031 6.127 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.483 6.230 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.682 7.399 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.210 8.027 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.576 9.118 1.276 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.643 12.233 -2.204 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.417 13.128 -3.332 1.00 0.00 C ATOM 1718 C ARG A 107 -5.032 12.906 -3.934 1.00 0.00 C ATOM 1719 O ARG A 107 -4.858 12.956 -5.151 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.565 14.586 -2.891 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.091 15.502 -3.984 1.00 0.00 C ATOM 1722 CD ARG A 107 -6.827 16.964 -3.660 1.00 0.00 C ATOM 1723 NE ARG A 107 -7.581 17.863 -4.530 1.00 0.00 N ATOM 1724 CZ ARG A 107 -7.732 19.161 -4.293 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -7.182 19.710 -3.219 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -8.432 19.913 -5.132 1.00 0.00 N ATOM 0 H ARG A 107 -6.251 12.560 -1.321 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.165 12.908 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.239 14.631 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.596 14.955 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.618 15.247 -4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.162 15.343 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.092 17.158 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.762 17.171 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.016 17.472 -5.366 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.641 19.135 -2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.299 20.707 -3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.855 19.494 -5.960 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.547 20.910 -4.949 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.051 12.661 -3.072 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.682 12.434 -3.518 1.00 0.00 C ATOM 1742 C TYR A 108 -2.176 11.072 -3.052 1.00 0.00 C ATOM 1743 O TYR A 108 -1.714 10.906 -1.923 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.763 13.538 -2.993 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.298 14.933 -3.227 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.179 15.546 -4.468 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.924 15.638 -2.205 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.666 16.820 -4.685 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.415 16.912 -2.414 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.283 17.499 -3.655 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.771 18.768 -3.868 1.00 0.00 O ATOM 0 H TYR A 108 -4.179 12.615 -2.061 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.674 12.451 -4.608 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.607 13.392 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.788 13.446 -3.472 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.697 15.017 -5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.028 15.182 -1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.564 17.282 -5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.900 17.446 -1.610 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.177 19.105 -3.042 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.265 10.073 -3.943 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.820 8.708 -3.647 1.00 0.00 C ATOM 1763 C PRO A 109 -0.303 8.603 -3.534 1.00 0.00 C ATOM 1764 O PRO A 109 0.398 8.484 -4.540 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.324 7.903 -4.848 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.425 8.897 -5.954 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.805 10.199 -5.306 1.00 0.00 C ATOM 0 HA PRO A 109 -2.200 8.354 -2.689 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.635 7.097 -5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.290 7.443 -4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.478 8.987 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.173 8.592 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.373 11.050 -5.832 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.885 10.344 -5.298 1.00 0.00 H new ATOM 1775 N VAL A 110 0.199 8.649 -2.304 1.00 0.00 N ATOM 1776 CA VAL A 110 1.633 8.558 -2.060 1.00 0.00 C ATOM 1777 C VAL A 110 2.304 7.628 -3.065 1.00 0.00 C ATOM 1778 O VAL A 110 1.921 6.466 -3.206 1.00 0.00 O ATOM 1779 CB VAL A 110 1.929 8.054 -0.635 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.426 7.871 -0.433 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.356 9.012 0.398 1.00 0.00 C ATOM 0 H VAL A 110 -0.367 8.749 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 110 2.037 9.564 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 110 1.448 7.085 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.616 7.515 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.804 7.143 -1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 110 3.933 8.824 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.574 8.641 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.806 9.997 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.277 9.086 0.266 1.00 0.00 H new ATOM 1791 N THR A 111 3.310 8.147 -3.763 1.00 0.00 N ATOM 1792 CA THR A 111 4.034 7.365 -4.757 1.00 0.00 C ATOM 1793 C THR A 111 5.540 7.451 -4.533 1.00 0.00 C ATOM 1794 O THR A 111 6.044 8.373 -3.893 1.00 0.00 O ATOM 1795 CB THR A 111 3.711 7.835 -6.187 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.521 9.254 -6.205 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.462 7.145 -6.715 1.00 0.00 C ATOM 0 H THR A 111 3.641 9.106 -3.658 1.00 0.00 H new ATOM 0 HA THR A 111 3.710 6.330 -4.642 1.00 0.00 H new ATOM 0 HB THR A 111 4.551 7.573 -6.830 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.318 9.545 -7.118 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.254 7.493 -7.727 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.620 6.067 -6.728 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.616 7.380 -6.069 1.00 0.00 H new ATOM 1805 N PRO A 112 6.276 6.469 -5.074 1.00 0.00 N ATOM 1806 CA PRO A 112 7.736 6.413 -4.947 1.00 0.00 C ATOM 1807 C PRO A 112 8.429 7.508 -5.750 1.00 0.00 C ATOM 1808 O PRO A 112 9.586 7.840 -5.493 1.00 0.00 O ATOM 1809 CB PRO A 112 8.088 5.034 -5.509 1.00 0.00 C ATOM 1810 CG PRO A 112 6.972 4.708 -6.441 1.00 0.00 C ATOM 1811 CD PRO A 112 5.741 5.338 -5.850 1.00 0.00 C ATOM 0 HA PRO A 112 8.062 6.565 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.046 5.051 -6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.170 4.292 -4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.170 5.100 -7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.849 3.630 -6.540 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.050 5.673 -6.624 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.196 4.638 -5.217 1.00 0.00 H new ATOM 1819 N GLU A 113 7.715 8.066 -6.722 1.00 0.00 N ATOM 1820 CA GLU A 113 8.263 9.124 -7.562 1.00 0.00 C ATOM 1821 C GLU A 113 8.146 10.481 -6.874 1.00 0.00 C ATOM 1822 O GLU A 113 9.004 11.350 -7.038 1.00 0.00 O ATOM 1823 CB GLU A 113 7.543 9.160 -8.911 1.00 0.00 C ATOM 1824 CG GLU A 113 8.416 9.648 -10.055 1.00 0.00 C ATOM 1825 CD GLU A 113 8.330 11.149 -10.255 1.00 0.00 C ATOM 1826 OE1 GLU A 113 7.260 11.725 -9.967 1.00 0.00 O ATOM 1827 OE2 GLU A 113 9.332 11.747 -10.700 1.00 0.00 O ATOM 0 H GLU A 113 6.756 7.803 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 113 9.319 8.910 -7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 113 7.178 8.160 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 113 6.670 9.807 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.452 9.370 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.118 9.145 -10.975 1.00 0.00 H new ATOM 1834 N LEU A 114 7.078 10.657 -6.104 1.00 0.00 N ATOM 1835 CA LEU A 114 6.846 11.908 -5.391 1.00 0.00 C ATOM 1836 C LEU A 114 7.958 12.173 -4.380 1.00 0.00 C ATOM 1837 O LEU A 114 8.630 13.204 -4.436 1.00 0.00 O ATOM 1838 CB LEU A 114 5.493 11.869 -4.678 1.00 0.00 C ATOM 1839 CG LEU A 114 5.131 13.106 -3.856 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.388 14.119 -4.713 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.298 12.716 -2.644 1.00 0.00 C ATOM 0 H LEU A 114 6.359 9.949 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 114 6.842 12.718 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.715 11.714 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.478 11.002 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 114 6.054 13.567 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.139 14.992 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.020 14.422 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.472 13.669 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.050 13.609 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.380 12.230 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.867 12.029 -2.017 1.00 0.00 H new ATOM 1853 N LEU A 115 8.148 11.235 -3.459 1.00 0.00 N ATOM 1854 CA LEU A 115 9.181 11.365 -2.437 1.00 0.00 C ATOM 1855 C LEU A 115 10.470 11.922 -3.032 1.00 0.00 C ATOM 1856 O LEU A 115 11.122 12.777 -2.434 1.00 0.00 O ATOM 1857 CB LEU A 115 9.452 10.009 -1.782 1.00 0.00 C ATOM 1858 CG LEU A 115 8.606 9.676 -0.553 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.972 10.586 0.609 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.124 9.793 -0.878 1.00 0.00 C ATOM 0 H LEU A 115 7.601 10.376 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 115 8.822 12.062 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.295 9.230 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.503 9.970 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 115 8.813 8.647 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.360 10.334 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.025 10.453 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.794 11.624 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.537 9.552 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.901 10.811 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.871 9.099 -1.680 1.00 0.00 H new ATOM 1872 N GLU A 116 10.829 11.433 -4.215 1.00 0.00 N ATOM 1873 CA GLU A 116 12.039 11.884 -4.892 1.00 0.00 C ATOM 1874 C GLU A 116 11.845 13.278 -5.483 1.00 0.00 C ATOM 1875 O GLU A 116 12.713 14.142 -5.359 1.00 0.00 O ATOM 1876 CB GLU A 116 12.429 10.900 -5.996 1.00 0.00 C ATOM 1877 CG GLU A 116 13.180 9.681 -5.487 1.00 0.00 C ATOM 1878 CD GLU A 116 14.053 9.046 -6.553 1.00 0.00 C ATOM 1879 OE1 GLU A 116 14.751 9.792 -7.270 1.00 0.00 O ATOM 1880 OE2 GLU A 116 14.037 7.803 -6.669 1.00 0.00 O ATOM 0 H GLU A 116 10.300 10.725 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 116 12.841 11.929 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.528 10.571 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.047 11.417 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 116 13.801 9.969 -4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.464 8.944 -5.122 1.00 0.00 H new ATOM 1887 N ARG A 117 10.701 13.487 -6.127 1.00 0.00 N ATOM 1888 CA ARG A 117 10.393 14.774 -6.739 1.00 0.00 C ATOM 1889 C ARG A 117 10.447 15.894 -5.705 1.00 0.00 C ATOM 1890 O ARG A 117 10.913 16.997 -5.993 1.00 0.00 O ATOM 1891 CB ARG A 117 9.011 14.734 -7.393 1.00 0.00 C ATOM 1892 CG ARG A 117 8.496 16.101 -7.814 1.00 0.00 C ATOM 1893 CD ARG A 117 7.343 15.983 -8.798 1.00 0.00 C ATOM 1894 NE ARG A 117 6.931 17.285 -9.316 1.00 0.00 N ATOM 1895 CZ ARG A 117 5.803 17.484 -9.989 1.00 0.00 C ATOM 1896 NH1 ARG A 117 4.979 16.472 -10.223 1.00 0.00 N ATOM 1897 NH2 ARG A 117 5.497 18.698 -10.429 1.00 0.00 N ATOM 0 H ARG A 117 9.973 12.782 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 117 11.143 14.973 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.051 14.085 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.302 14.287 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.169 16.655 -6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.306 16.672 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.638 15.340 -9.627 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.496 15.503 -8.308 1.00 0.00 H new ATOM 0 HE ARG A 117 7.542 18.085 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.210 15.538 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.114 16.628 -10.740 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.128 19.479 -10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.631 18.850 -10.946 1.00 0.00 H new ATOM 1911 N TYR A 118 9.966 15.605 -4.501 1.00 0.00 N ATOM 1912 CA TYR A 118 9.956 16.588 -3.425 1.00 0.00 C ATOM 1913 C TYR A 118 11.310 16.643 -2.724 1.00 0.00 C ATOM 1914 O TYR A 118 11.994 17.667 -2.750 1.00 0.00 O ATOM 1915 CB TYR A 118 8.858 16.256 -2.412 1.00 0.00 C ATOM 1916 CG TYR A 118 7.470 16.633 -2.878 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.159 16.677 -4.232 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.470 16.945 -1.966 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.892 17.021 -4.663 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.200 17.289 -2.387 1.00 0.00 C ATOM 1921 CZ TYR A 118 4.916 17.325 -3.737 1.00 0.00 C ATOM 1922 OH TYR A 118 3.653 17.668 -4.161 1.00 0.00 O ATOM 0 H TYR A 118 9.578 14.697 -4.246 1.00 0.00 H new ATOM 0 HA TYR A 118 9.754 17.566 -3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.883 15.187 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 118 9.071 16.772 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.921 16.438 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.689 16.918 -0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.667 17.052 -5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.434 17.528 -1.664 1.00 0.00 H new ATOM 0 HH TYR A 118 3.085 17.851 -3.383 1.00 0.00 H new ATOM 1932 N SER A 119 11.691 15.534 -2.099 1.00 0.00 N ATOM 1933 CA SER A 119 12.962 15.455 -1.389 1.00 0.00 C ATOM 1934 C SER A 119 13.379 14.002 -1.180 1.00 0.00 C ATOM 1935 O SER A 119 12.741 13.263 -0.432 1.00 0.00 O ATOM 1936 CB SER A 119 12.860 16.167 -0.038 1.00 0.00 C ATOM 1937 OG SER A 119 14.127 16.638 0.387 1.00 0.00 O ATOM 0 H SER A 119 11.138 14.678 -2.070 1.00 0.00 H new ATOM 0 HA SER A 119 13.721 15.949 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.165 17.003 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.454 15.483 0.707 1.00 0.00 H new ATOM 0 HG SER A 119 14.035 17.090 1.251 1.00 0.00 H new