USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 21 LYS NZ :NH3+ 167:sc= 1.93 (180deg=0.399) USER MOD Set 1.2: B 101 SER OG : rot -69:sc= 0.993 USER MOD Set 1.3: B 102 THR OG1 : rot 91:sc= 1.83 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.791 X(o=1.2,f=1.3) USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0.421 USER MOD Set 3.1: A 29 THR OG1 : rot 24:sc= 0.187 USER MOD Set 3.2: A 40 MET CE :methyl 179:sc= -0.176 (180deg=-0.184) USER MOD Set 4.1: A 20 HIS : no HD1:sc= -0.0136 X(o=-0.03,f=-0.098) USER MOD Set 4.2: A 24 GLN : amide:sc= -0.016 X(o=-0.03,f=0) USER MOD Set 5.1: A 7 HIS : no HD1:sc= -0.224 X(o=0.72,f=0.87) USER MOD Set 5.2: A 55 TYR OH : rot -160:sc= 0.945 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0.802 (180deg=0.802) USER MOD Single : A 9 HIS : no HD1:sc= 0.894 K(o=0.89,f=-6.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 12 GLN : amide:sc= 0.397 K(o=0.4,f=-3.8!) USER MOD Single : A 16 SER OG : rot 71:sc= 1.21 USER MOD Single : A 17 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.015) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0108 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0667) USER MOD Single : A 54 MET CE :methyl 156:sc=-0.00627 (180deg=-0.433) USER MOD Single : A 57 SER OG : rot 75:sc= 1.17 USER MOD Single : A 64 TYR OH : rot 24:sc= 1.22 USER MOD Single : A 65 TYR OH : rot -159:sc= 0.724 USER MOD Single : A 66 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.5) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 153:sc= -0.119 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0.75 K(o=0.75,f=-1.7) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ 164:sc=-0.00512 (180deg=-0.113) USER MOD Single : B 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 104 ASN : amide:sc= 0.271 X(o=0.27,f=0.0064) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 8.244 -2.884 -4.783 1.00 10.00 N ATOM 51 CA LYS A 4 7.347 -1.843 -4.303 1.00 10.00 C ATOM 52 C LYS A 4 6.146 -1.804 -5.240 1.00 10.00 C ATOM 53 O LYS A 4 6.297 -2.103 -6.421 1.00 10.00 O ATOM 54 CB LYS A 4 8.043 -0.479 -4.344 1.00 10.00 C ATOM 55 CG LYS A 4 9.146 -0.270 -3.300 1.00 10.00 C ATOM 56 CD LYS A 4 8.568 -0.192 -1.883 1.00 10.00 C ATOM 57 CE LYS A 4 9.646 0.297 -0.919 1.00 10.00 C ATOM 58 NZ LYS A 4 9.130 0.454 0.451 1.00 10.00 N ATOM 0 HA LYS A 4 7.049 -2.055 -3.276 1.00 10.00 H new ATOM 0 HB2 LYS A 4 8.474 -0.340 -5.335 1.00 10.00 H new ATOM 0 HB3 LYS A 4 7.290 0.298 -4.212 1.00 10.00 H new ATOM 0 HG2 LYS A 4 9.863 -1.089 -3.357 1.00 10.00 H new ATOM 0 HG3 LYS A 4 9.691 0.647 -3.523 1.00 10.00 H new ATOM 0 HD2 LYS A 4 7.714 0.485 -1.864 1.00 10.00 H new ATOM 0 HD3 LYS A 4 8.205 -1.172 -1.573 1.00 10.00 H new ATOM 0 HE2 LYS A 4 10.476 -0.409 -0.915 1.00 10.00 H new ATOM 0 HE3 LYS A 4 10.040 1.251 -1.270 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 9.894 0.787 1.073 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 8.354 1.147 0.453 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 8.777 -0.461 0.796 1.00 10.00 H new ATOM 72 N GLY A 5 4.976 -1.383 -4.755 1.00 10.00 N ATOM 73 CA GLY A 5 3.787 -1.243 -5.590 1.00 10.00 C ATOM 74 C GLY A 5 4.050 -0.384 -6.830 1.00 10.00 C ATOM 75 O GLY A 5 3.576 -0.687 -7.920 1.00 10.00 O ATOM 0 H GLY A 5 4.829 -1.131 -3.778 1.00 10.00 H new ATOM 0 HA2 GLY A 5 3.444 -2.230 -5.900 1.00 10.00 H new ATOM 0 HA3 GLY A 5 2.984 -0.796 -5.004 1.00 10.00 H new ATOM 79 N TRP A 6 4.804 0.701 -6.648 1.00 10.00 N ATOM 80 CA TRP A 6 5.188 1.634 -7.699 1.00 10.00 C ATOM 81 C TRP A 6 6.377 1.165 -8.553 1.00 10.00 C ATOM 82 O TRP A 6 6.693 1.821 -9.544 1.00 10.00 O ATOM 83 CB TRP A 6 5.460 3.005 -7.070 1.00 10.00 C ATOM 84 CG TRP A 6 6.594 3.068 -6.089 1.00 10.00 C ATOM 85 CD1 TRP A 6 6.507 2.798 -4.767 1.00 10.00 C ATOM 86 CD2 TRP A 6 7.989 3.434 -6.327 1.00 10.00 C ATOM 87 NE1 TRP A 6 7.736 2.985 -4.173 1.00 10.00 N ATOM 88 CE2 TRP A 6 8.689 3.363 -5.088 1.00 10.00 C ATOM 89 CE3 TRP A 6 8.738 3.822 -7.460 1.00 10.00 C ATOM 90 CZ2 TRP A 6 10.054 3.652 -4.975 1.00 10.00 C ATOM 91 CZ3 TRP A 6 10.102 4.151 -7.346 1.00 10.00 C ATOM 92 CH2 TRP A 6 10.760 4.065 -6.110 1.00 10.00 C ATOM 0 H TRP A 6 5.174 0.960 -5.734 1.00 10.00 H new ATOM 0 HA TRP A 6 4.354 1.696 -8.398 1.00 10.00 H new ATOM 0 HB2 TRP A 6 5.660 3.717 -7.871 1.00 10.00 H new ATOM 0 HB3 TRP A 6 4.552 3.338 -6.567 1.00 10.00 H new ATOM 0 HD1 TRP A 6 5.610 2.483 -4.254 1.00 10.00 H new ATOM 0 HE1 TRP A 6 7.916 2.858 -3.177 1.00 10.00 H new ATOM 0 HE3 TRP A 6 8.258 3.867 -8.426 1.00 10.00 H new ATOM 0 HZ2 TRP A 6 10.556 3.557 -4.023 1.00 10.00 H new ATOM 0 HZ3 TRP A 6 10.648 4.473 -8.220 1.00 10.00 H new ATOM 0 HH2 TRP A 6 11.808 4.317 -6.035 1.00 10.00 H new ATOM 103 N HIS A 7 7.069 0.087 -8.160 1.00 10.00 N ATOM 104 CA HIS A 7 8.343 -0.346 -8.740 1.00 10.00 C ATOM 105 C HIS A 7 8.424 -0.201 -10.264 1.00 10.00 C ATOM 106 O HIS A 7 9.384 0.367 -10.786 1.00 10.00 O ATOM 107 CB HIS A 7 8.650 -1.780 -8.286 1.00 10.00 C ATOM 108 CG HIS A 7 9.612 -2.535 -9.160 1.00 10.00 C ATOM 109 ND1 HIS A 7 9.246 -3.536 -10.060 1.00 10.00 N ATOM 110 CD2 HIS A 7 10.963 -2.367 -9.188 1.00 10.00 C ATOM 111 CE1 HIS A 7 10.390 -3.922 -10.645 1.00 10.00 C ATOM 112 NE2 HIS A 7 11.436 -3.246 -10.136 1.00 10.00 N ATOM 0 H HIS A 7 6.747 -0.523 -7.409 1.00 10.00 H new ATOM 0 HA HIS A 7 9.110 0.331 -8.364 1.00 10.00 H new ATOM 0 HB2 HIS A 7 9.054 -1.745 -7.274 1.00 10.00 H new ATOM 0 HB3 HIS A 7 7.714 -2.337 -8.237 1.00 10.00 H new ATOM 0 HD2 HIS A 7 11.545 -1.683 -8.588 1.00 10.00 H new ATOM 0 HE1 HIS A 7 10.461 -4.672 -11.418 1.00 10.00 H new ATOM 0 HE2 HIS A 7 12.412 -3.365 -10.406 1.00 10.00 H new ATOM 120 N GLU A 8 7.418 -0.703 -10.986 1.00 10.00 N ATOM 121 CA GLU A 8 7.416 -0.732 -12.438 1.00 10.00 C ATOM 122 C GLU A 8 7.620 0.648 -13.077 1.00 10.00 C ATOM 123 O GLU A 8 8.041 0.727 -14.228 1.00 10.00 O ATOM 124 CB GLU A 8 6.164 -1.456 -12.963 1.00 10.00 C ATOM 125 CG GLU A 8 4.824 -0.703 -12.838 1.00 10.00 C ATOM 126 CD GLU A 8 4.258 -0.610 -11.422 1.00 10.00 C ATOM 127 OE1 GLU A 8 4.813 -1.285 -10.529 1.00 10.00 O ATOM 128 OE2 GLU A 8 3.270 0.139 -11.263 1.00 10.00 O ATOM 0 H GLU A 8 6.578 -1.103 -10.568 1.00 10.00 H new ATOM 0 HA GLU A 8 8.288 -1.308 -12.749 1.00 10.00 H new ATOM 0 HB2 GLU A 8 6.324 -1.693 -14.015 1.00 10.00 H new ATOM 0 HB3 GLU A 8 6.072 -2.404 -12.433 1.00 10.00 H new ATOM 0 HG2 GLU A 8 4.956 0.307 -13.226 1.00 10.00 H new ATOM 0 HG3 GLU A 8 4.088 -1.195 -13.474 1.00 10.00 H new ATOM 135 N HIS A 9 7.332 1.736 -12.353 1.00 10.00 N ATOM 136 CA HIS A 9 7.534 3.084 -12.858 1.00 10.00 C ATOM 137 C HIS A 9 9.018 3.409 -13.047 1.00 10.00 C ATOM 138 O HIS A 9 9.344 4.261 -13.872 1.00 10.00 O ATOM 139 CB HIS A 9 6.915 4.111 -11.900 1.00 10.00 C ATOM 140 CG HIS A 9 5.408 4.160 -11.879 1.00 10.00 C ATOM 141 ND1 HIS A 9 4.644 5.309 -12.096 1.00 10.00 N ATOM 142 CD2 HIS A 9 4.579 3.121 -11.576 1.00 10.00 C ATOM 143 CE1 HIS A 9 3.367 4.922 -11.943 1.00 10.00 C ATOM 144 NE2 HIS A 9 3.298 3.615 -11.631 1.00 10.00 N ATOM 0 H HIS A 9 6.955 1.699 -11.406 1.00 10.00 H new ATOM 0 HA HIS A 9 7.044 3.137 -13.830 1.00 10.00 H new ATOM 0 HB2 HIS A 9 7.267 3.898 -10.891 1.00 10.00 H new ATOM 0 HB3 HIS A 9 7.289 5.100 -12.166 1.00 10.00 H new ATOM 0 HD2 HIS A 9 4.872 2.109 -11.339 1.00 10.00 H new ATOM 0 HE1 HIS A 9 2.512 5.572 -12.055 1.00 10.00 H new ATOM 0 HE2 HIS A 9 2.444 3.083 -11.464 1.00 10.00 H new ATOM 152 N VAL A 10 9.911 2.792 -12.262 1.00 10.00 N ATOM 153 CA VAL A 10 11.313 3.192 -12.204 1.00 10.00 C ATOM 154 C VAL A 10 12.249 1.987 -12.340 1.00 10.00 C ATOM 155 O VAL A 10 12.510 1.263 -11.372 1.00 10.00 O ATOM 156 CB VAL A 10 11.557 4.001 -10.919 1.00 10.00 C ATOM 157 CG1 VAL A 10 12.987 4.547 -10.878 1.00 10.00 C ATOM 158 CG2 VAL A 10 10.590 5.192 -10.815 1.00 10.00 C ATOM 0 H VAL A 10 9.678 2.006 -11.654 1.00 10.00 H new ATOM 0 HA VAL A 10 11.543 3.835 -13.054 1.00 10.00 H new ATOM 0 HB VAL A 10 11.392 3.320 -10.084 1.00 10.00 H new ATOM 0 HG11 VAL A 10 13.133 5.115 -9.959 1.00 10.00 H new ATOM 0 HG12 VAL A 10 13.694 3.718 -10.909 1.00 10.00 H new ATOM 0 HG13 VAL A 10 13.153 5.197 -11.737 1.00 10.00 H new ATOM 0 HG21 VAL A 10 10.789 5.743 -9.896 1.00 10.00 H new ATOM 0 HG22 VAL A 10 10.732 5.852 -11.671 1.00 10.00 H new ATOM 0 HG23 VAL A 10 9.563 4.827 -10.804 1.00 10.00 H new ATOM 168 N THR A 11 12.790 1.810 -13.549 1.00 10.00 N ATOM 169 CA THR A 11 13.796 0.821 -13.885 1.00 10.00 C ATOM 170 C THR A 11 15.205 1.345 -13.594 1.00 10.00 C ATOM 171 O THR A 11 15.433 2.548 -13.439 1.00 10.00 O ATOM 172 CB THR A 11 13.666 0.498 -15.379 1.00 10.00 C ATOM 173 OG1 THR A 11 13.631 1.711 -16.106 1.00 10.00 O ATOM 174 CG2 THR A 11 12.386 -0.290 -15.659 1.00 10.00 C ATOM 0 H THR A 11 12.521 2.382 -14.350 1.00 10.00 H new ATOM 0 HA THR A 11 13.640 -0.072 -13.279 1.00 10.00 H new ATOM 0 HB THR A 11 14.519 -0.109 -15.683 1.00 10.00 H new ATOM 0 HG1 THR A 11 13.550 1.517 -17.063 1.00 10.00 H new ATOM 0 HG21 THR A 11 12.318 -0.506 -16.725 1.00 10.00 H new ATOM 0 HG22 THR A 11 12.405 -1.225 -15.099 1.00 10.00 H new ATOM 0 HG23 THR A 11 11.522 0.299 -15.352 1.00 10.00 H new ATOM 182 N GLN A 12 16.158 0.413 -13.574 1.00 10.00 N ATOM 183 CA GLN A 12 17.575 0.625 -13.322 1.00 10.00 C ATOM 184 C GLN A 12 18.127 1.813 -14.108 1.00 10.00 C ATOM 185 O GLN A 12 18.906 2.598 -13.579 1.00 10.00 O ATOM 186 CB GLN A 12 18.345 -0.655 -13.669 1.00 10.00 C ATOM 187 CG GLN A 12 18.258 -1.729 -12.574 1.00 10.00 C ATOM 188 CD GLN A 12 16.842 -2.223 -12.286 1.00 10.00 C ATOM 189 OE1 GLN A 12 16.003 -2.303 -13.180 1.00 10.00 O ATOM 190 NE2 GLN A 12 16.546 -2.539 -11.030 1.00 10.00 N ATOM 0 H GLN A 12 15.943 -0.569 -13.744 1.00 10.00 H new ATOM 0 HA GLN A 12 17.703 0.859 -12.265 1.00 10.00 H new ATOM 0 HB2 GLN A 12 17.956 -1.064 -14.602 1.00 10.00 H new ATOM 0 HB3 GLN A 12 19.392 -0.406 -13.842 1.00 10.00 H new ATOM 0 HG2 GLN A 12 18.874 -2.579 -12.866 1.00 10.00 H new ATOM 0 HG3 GLN A 12 18.684 -1.328 -11.654 1.00 10.00 H new ATOM 0 HE21 GLN A 12 17.259 -2.465 -10.304 1.00 10.00 H new ATOM 0 HE22 GLN A 12 15.606 -2.856 -10.792 1.00 10.00 H new ATOM 199 N ASP A 13 17.745 1.952 -15.376 1.00 10.00 N ATOM 200 CA ASP A 13 18.204 3.041 -16.225 1.00 10.00 C ATOM 201 C ASP A 13 17.773 4.394 -15.653 1.00 10.00 C ATOM 202 O ASP A 13 18.578 5.319 -15.558 1.00 10.00 O ATOM 203 CB ASP A 13 17.647 2.845 -17.640 1.00 10.00 C ATOM 204 CG ASP A 13 17.969 1.465 -18.205 1.00 10.00 C ATOM 205 OD1 ASP A 13 17.265 0.517 -17.790 1.00 10.00 O ATOM 206 OD2 ASP A 13 18.910 1.383 -19.023 1.00 10.00 O ATOM 0 H ASP A 13 17.106 1.308 -15.842 1.00 10.00 H new ATOM 0 HA ASP A 13 19.293 3.032 -16.264 1.00 10.00 H new ATOM 0 HB2 ASP A 13 16.566 2.985 -17.625 1.00 10.00 H new ATOM 0 HB3 ASP A 13 18.059 3.610 -18.299 1.00 10.00 H new ATOM 211 N LEU A 14 16.506 4.518 -15.246 1.00 10.00 N ATOM 212 CA LEU A 14 16.028 5.754 -14.642 1.00 10.00 C ATOM 213 C LEU A 14 16.734 5.961 -13.301 1.00 10.00 C ATOM 214 O LEU A 14 17.187 7.065 -13.016 1.00 10.00 O ATOM 215 CB LEU A 14 14.497 5.750 -14.536 1.00 10.00 C ATOM 216 CG LEU A 14 13.909 6.986 -13.832 1.00 10.00 C ATOM 217 CD1 LEU A 14 14.417 8.324 -14.379 1.00 10.00 C ATOM 218 CD2 LEU A 14 12.383 6.967 -13.971 1.00 10.00 C ATOM 0 H LEU A 14 15.803 3.783 -15.325 1.00 10.00 H new ATOM 0 HA LEU A 14 16.275 6.607 -15.274 1.00 10.00 H new ATOM 0 HB2 LEU A 14 14.075 5.682 -15.539 1.00 10.00 H new ATOM 0 HB3 LEU A 14 14.184 4.856 -13.997 1.00 10.00 H new ATOM 0 HG LEU A 14 14.233 6.920 -12.793 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.953 9.142 -13.828 1.00 10.00 H new ATOM 0 HD12 LEU A 14 15.500 8.377 -14.264 1.00 10.00 H new ATOM 0 HD13 LEU A 14 14.160 8.406 -15.435 1.00 10.00 H new ATOM 0 HD21 LEU A 14 11.961 7.841 -13.474 1.00 10.00 H new ATOM 0 HD22 LEU A 14 12.114 6.985 -15.027 1.00 10.00 H new ATOM 0 HD23 LEU A 14 11.987 6.062 -13.511 1.00 10.00 H new ATOM 230 N ARG A 15 16.892 4.900 -12.502 1.00 10.00 N ATOM 231 CA ARG A 15 17.680 4.981 -11.271 1.00 10.00 C ATOM 232 C ARG A 15 19.074 5.542 -11.569 1.00 10.00 C ATOM 233 O ARG A 15 19.537 6.444 -10.882 1.00 10.00 O ATOM 234 CB ARG A 15 17.788 3.618 -10.573 1.00 10.00 C ATOM 235 CG ARG A 15 16.408 3.072 -10.207 1.00 10.00 C ATOM 236 CD ARG A 15 16.476 1.677 -9.579 1.00 10.00 C ATOM 237 NE ARG A 15 15.288 0.908 -9.966 1.00 10.00 N ATOM 238 CZ ARG A 15 14.851 -0.218 -9.395 1.00 10.00 C ATOM 239 NH1 ARG A 15 15.491 -0.762 -8.355 1.00 10.00 N ATOM 240 NH2 ARG A 15 13.742 -0.774 -9.881 1.00 10.00 N ATOM 0 H ARG A 15 16.487 3.982 -12.685 1.00 10.00 H new ATOM 0 HA ARG A 15 17.162 5.657 -10.591 1.00 10.00 H new ATOM 0 HB2 ARG A 15 18.300 2.912 -11.227 1.00 10.00 H new ATOM 0 HB3 ARG A 15 18.394 3.715 -9.672 1.00 10.00 H new ATOM 0 HG2 ARG A 15 15.923 3.757 -9.511 1.00 10.00 H new ATOM 0 HG3 ARG A 15 15.787 3.034 -11.102 1.00 10.00 H new ATOM 0 HD2 ARG A 15 17.379 1.162 -9.908 1.00 10.00 H new ATOM 0 HD3 ARG A 15 16.533 1.758 -8.493 1.00 10.00 H new ATOM 0 HE ARG A 15 14.742 1.269 -10.748 1.00 10.00 H new ATOM 0 HH11 ARG A 15 16.330 -0.317 -7.983 1.00 10.00 H new ATOM 0 HH12 ARG A 15 15.140 -1.622 -7.934 1.00 10.00 H new ATOM 0 HH21 ARG A 15 13.255 -0.340 -10.665 1.00 10.00 H new ATOM 0 HH22 ARG A 15 13.380 -1.634 -9.469 1.00 10.00 H new ATOM 254 N SER A 16 19.729 5.033 -12.612 1.00 10.00 N ATOM 255 CA SER A 16 21.045 5.478 -13.047 1.00 10.00 C ATOM 256 C SER A 16 21.020 6.966 -13.408 1.00 10.00 C ATOM 257 O SER A 16 21.863 7.737 -12.949 1.00 10.00 O ATOM 258 CB SER A 16 21.519 4.609 -14.218 1.00 10.00 C ATOM 259 OG SER A 16 21.575 3.251 -13.827 1.00 10.00 O ATOM 0 H SER A 16 19.348 4.283 -13.189 1.00 10.00 H new ATOM 0 HA SER A 16 21.758 5.362 -12.230 1.00 10.00 H new ATOM 0 HB2 SER A 16 20.841 4.724 -15.063 1.00 10.00 H new ATOM 0 HB3 SER A 16 22.503 4.940 -14.551 1.00 10.00 H new ATOM 0 HG SER A 16 20.665 2.903 -13.721 1.00 10.00 H new ATOM 265 N HIS A 17 20.048 7.388 -14.220 1.00 10.00 N ATOM 266 CA HIS A 17 19.938 8.790 -14.602 1.00 10.00 C ATOM 267 C HIS A 17 19.697 9.672 -13.370 1.00 10.00 C ATOM 268 O HIS A 17 20.274 10.749 -13.245 1.00 10.00 O ATOM 269 CB HIS A 17 18.855 8.972 -15.672 1.00 10.00 C ATOM 270 CG HIS A 17 19.102 10.173 -16.550 1.00 10.00 C ATOM 271 ND1 HIS A 17 19.502 10.110 -17.885 1.00 10.00 N ATOM 272 CD2 HIS A 17 19.059 11.479 -16.156 1.00 10.00 C ATOM 273 CE1 HIS A 17 19.675 11.382 -18.271 1.00 10.00 C ATOM 274 NE2 HIS A 17 19.412 12.226 -17.257 1.00 10.00 N ATOM 0 H HIS A 17 19.333 6.781 -14.621 1.00 10.00 H new ATOM 0 HA HIS A 17 20.882 9.112 -15.042 1.00 10.00 H new ATOM 0 HB2 HIS A 17 18.808 8.077 -16.292 1.00 10.00 H new ATOM 0 HB3 HIS A 17 17.884 9.075 -15.187 1.00 10.00 H new ATOM 0 HD2 HIS A 17 18.800 11.852 -15.176 1.00 10.00 H new ATOM 0 HE1 HIS A 17 19.983 11.687 -19.260 1.00 10.00 H new ATOM 0 HE2 HIS A 17 19.465 13.244 -17.297 1.00 10.00 H new ATOM 282 N LEU A 18 18.863 9.214 -12.436 1.00 10.00 N ATOM 283 CA LEU A 18 18.620 9.905 -11.178 1.00 10.00 C ATOM 284 C LEU A 18 19.903 9.987 -10.341 1.00 10.00 C ATOM 285 O LEU A 18 20.234 11.054 -9.836 1.00 10.00 O ATOM 286 CB LEU A 18 17.468 9.228 -10.422 1.00 10.00 C ATOM 287 CG LEU A 18 16.096 9.507 -11.054 1.00 10.00 C ATOM 288 CD1 LEU A 18 15.061 8.552 -10.457 1.00 10.00 C ATOM 289 CD2 LEU A 18 15.619 10.939 -10.794 1.00 10.00 C ATOM 0 H LEU A 18 18.335 8.347 -12.536 1.00 10.00 H new ATOM 0 HA LEU A 18 18.319 10.932 -11.385 1.00 10.00 H new ATOM 0 HB2 LEU A 18 17.639 8.152 -10.396 1.00 10.00 H new ATOM 0 HB3 LEU A 18 17.464 9.575 -9.389 1.00 10.00 H new ATOM 0 HG LEU A 18 16.201 9.364 -12.129 1.00 10.00 H new ATOM 0 HD11 LEU A 18 14.086 8.747 -10.903 1.00 10.00 H new ATOM 0 HD12 LEU A 18 15.355 7.523 -10.662 1.00 10.00 H new ATOM 0 HD13 LEU A 18 15.004 8.705 -9.379 1.00 10.00 H new ATOM 0 HD21 LEU A 18 14.645 11.088 -11.260 1.00 10.00 H new ATOM 0 HD22 LEU A 18 15.537 11.106 -9.720 1.00 10.00 H new ATOM 0 HD23 LEU A 18 16.335 11.643 -11.217 1.00 10.00 H new ATOM 301 N VAL A 19 20.657 8.893 -10.214 1.00 10.00 N ATOM 302 CA VAL A 19 21.984 8.908 -9.606 1.00 10.00 C ATOM 303 C VAL A 19 22.849 9.983 -10.275 1.00 10.00 C ATOM 304 O VAL A 19 23.473 10.784 -9.580 1.00 10.00 O ATOM 305 CB VAL A 19 22.610 7.500 -9.639 1.00 10.00 C ATOM 306 CG1 VAL A 19 24.112 7.487 -9.332 1.00 10.00 C ATOM 307 CG2 VAL A 19 21.925 6.593 -8.611 1.00 10.00 C ATOM 0 H VAL A 19 20.361 7.970 -10.532 1.00 10.00 H new ATOM 0 HA VAL A 19 21.910 9.177 -8.552 1.00 10.00 H new ATOM 0 HB VAL A 19 22.465 7.142 -10.658 1.00 10.00 H new ATOM 0 HG11 VAL A 19 24.483 6.463 -9.373 1.00 10.00 H new ATOM 0 HG12 VAL A 19 24.639 8.094 -10.068 1.00 10.00 H new ATOM 0 HG13 VAL A 19 24.283 7.895 -8.336 1.00 10.00 H new ATOM 0 HG21 VAL A 19 22.376 5.601 -8.644 1.00 10.00 H new ATOM 0 HG22 VAL A 19 22.049 7.015 -7.614 1.00 10.00 H new ATOM 0 HG23 VAL A 19 20.863 6.517 -8.844 1.00 10.00 H new ATOM 317 N HIS A 20 22.869 10.048 -11.612 1.00 10.00 N ATOM 318 CA HIS A 20 23.573 11.137 -12.282 1.00 10.00 C ATOM 319 C HIS A 20 23.048 12.495 -11.807 1.00 10.00 C ATOM 320 O HIS A 20 23.847 13.341 -11.413 1.00 10.00 O ATOM 321 CB HIS A 20 23.505 11.036 -13.807 1.00 10.00 C ATOM 322 CG HIS A 20 24.344 12.077 -14.497 1.00 10.00 C ATOM 323 ND1 HIS A 20 25.509 12.665 -14.005 1.00 10.00 N ATOM 324 CD2 HIS A 20 24.106 12.535 -15.754 1.00 10.00 C ATOM 325 CE1 HIS A 20 25.954 13.460 -14.989 1.00 10.00 C ATOM 326 NE2 HIS A 20 25.131 13.403 -16.053 1.00 10.00 N ATOM 0 H HIS A 20 22.418 9.377 -12.233 1.00 10.00 H new ATOM 0 HA HIS A 20 24.624 11.047 -12.007 1.00 10.00 H new ATOM 0 HB2 HIS A 20 23.837 10.045 -14.116 1.00 10.00 H new ATOM 0 HB3 HIS A 20 22.468 11.140 -14.128 1.00 10.00 H new ATOM 0 HD2 HIS A 20 23.276 12.270 -16.392 1.00 10.00 H new ATOM 0 HE1 HIS A 20 26.849 14.063 -14.935 1.00 10.00 H new ATOM 0 HE2 HIS A 20 25.247 13.914 -16.928 1.00 10.00 H new ATOM 334 N LYS A 21 21.722 12.707 -11.807 1.00 10.00 N ATOM 335 CA LYS A 21 21.137 13.935 -11.271 1.00 10.00 C ATOM 336 C LYS A 21 21.681 14.242 -9.878 1.00 10.00 C ATOM 337 O LYS A 21 22.084 15.376 -9.639 1.00 10.00 O ATOM 338 CB LYS A 21 19.602 13.943 -11.259 1.00 10.00 C ATOM 339 CG LYS A 21 18.926 13.955 -12.634 1.00 10.00 C ATOM 340 CD LYS A 21 19.368 15.138 -13.513 1.00 10.00 C ATOM 341 CE LYS A 21 18.527 15.286 -14.788 1.00 10.00 C ATOM 342 NZ LYS A 21 17.100 15.514 -14.502 1.00 10.00 N ATOM 0 H LYS A 21 21.040 12.042 -12.173 1.00 10.00 H new ATOM 0 HA LYS A 21 21.440 14.723 -11.960 1.00 10.00 H new ATOM 0 HB2 LYS A 21 19.257 13.065 -10.713 1.00 10.00 H new ATOM 0 HB3 LYS A 21 19.266 14.818 -10.702 1.00 10.00 H new ATOM 0 HG2 LYS A 21 19.151 13.022 -13.151 1.00 10.00 H new ATOM 0 HG3 LYS A 21 17.845 13.993 -12.501 1.00 10.00 H new ATOM 0 HD2 LYS A 21 19.303 16.058 -12.933 1.00 10.00 H new ATOM 0 HD3 LYS A 21 20.415 15.008 -13.788 1.00 10.00 H new ATOM 0 HE2 LYS A 21 18.913 16.117 -15.379 1.00 10.00 H new ATOM 0 HE3 LYS A 21 18.633 14.387 -15.395 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 16.617 15.824 -15.370 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 16.669 14.631 -14.162 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 17.005 16.249 -13.772 1.00 10.00 H new ATOM 356 N LEU A 22 21.727 13.261 -8.971 1.00 10.00 N ATOM 357 CA LEU A 22 22.357 13.457 -7.671 1.00 10.00 C ATOM 358 C LEU A 22 23.778 13.989 -7.854 1.00 10.00 C ATOM 359 O LEU A 22 24.100 15.050 -7.321 1.00 10.00 O ATOM 360 CB LEU A 22 22.372 12.179 -6.820 1.00 10.00 C ATOM 361 CG LEU A 22 21.001 11.572 -6.498 1.00 10.00 C ATOM 362 CD1 LEU A 22 21.206 10.340 -5.616 1.00 10.00 C ATOM 363 CD2 LEU A 22 20.109 12.579 -5.771 1.00 10.00 C ATOM 0 H LEU A 22 21.337 12.330 -9.116 1.00 10.00 H new ATOM 0 HA LEU A 22 21.757 14.189 -7.130 1.00 10.00 H new ATOM 0 HB2 LEU A 22 22.968 11.428 -7.338 1.00 10.00 H new ATOM 0 HB3 LEU A 22 22.881 12.397 -5.881 1.00 10.00 H new ATOM 0 HG LEU A 22 20.509 11.297 -7.431 1.00 10.00 H new ATOM 0 HD11 LEU A 22 20.239 9.897 -5.379 1.00 10.00 H new ATOM 0 HD12 LEU A 22 21.818 9.611 -6.146 1.00 10.00 H new ATOM 0 HD13 LEU A 22 21.707 10.632 -4.693 1.00 10.00 H new ATOM 0 HD21 LEU A 22 19.144 12.121 -5.556 1.00 10.00 H new ATOM 0 HD22 LEU A 22 20.585 12.879 -4.837 1.00 10.00 H new ATOM 0 HD23 LEU A 22 19.962 13.456 -6.401 1.00 10.00 H new ATOM 375 N VAL A 23 24.621 13.279 -8.613 1.00 10.00 N ATOM 376 CA VAL A 23 25.999 13.711 -8.816 1.00 10.00 C ATOM 377 C VAL A 23 26.042 15.155 -9.317 1.00 10.00 C ATOM 378 O VAL A 23 26.689 15.970 -8.675 1.00 10.00 O ATOM 379 CB VAL A 23 26.810 12.763 -9.716 1.00 10.00 C ATOM 380 CG1 VAL A 23 28.247 13.291 -9.896 1.00 10.00 C ATOM 381 CG2 VAL A 23 26.887 11.357 -9.108 1.00 10.00 C ATOM 0 H VAL A 23 24.372 12.412 -9.090 1.00 10.00 H new ATOM 0 HA VAL A 23 26.489 13.671 -7.843 1.00 10.00 H new ATOM 0 HB VAL A 23 26.303 12.716 -10.680 1.00 10.00 H new ATOM 0 HG11 VAL A 23 28.808 12.609 -10.535 1.00 10.00 H new ATOM 0 HG12 VAL A 23 28.217 14.278 -10.357 1.00 10.00 H new ATOM 0 HG13 VAL A 23 28.734 13.360 -8.923 1.00 10.00 H new ATOM 0 HG21 VAL A 23 27.466 10.708 -9.765 1.00 10.00 H new ATOM 0 HG22 VAL A 23 27.369 11.409 -8.132 1.00 10.00 H new ATOM 0 HG23 VAL A 23 25.881 10.954 -8.995 1.00 10.00 H new ATOM 391 N GLN A 24 25.371 15.502 -10.421 1.00 10.00 N ATOM 392 CA GLN A 24 25.445 16.864 -10.951 1.00 10.00 C ATOM 393 C GLN A 24 24.828 17.906 -10.004 1.00 10.00 C ATOM 394 O GLN A 24 25.329 19.025 -9.905 1.00 10.00 O ATOM 395 CB GLN A 24 24.929 16.965 -12.396 1.00 10.00 C ATOM 396 CG GLN A 24 23.488 16.494 -12.597 1.00 10.00 C ATOM 397 CD GLN A 24 23.007 16.748 -14.018 1.00 10.00 C ATOM 398 OE1 GLN A 24 22.380 17.762 -14.299 1.00 10.00 O ATOM 399 NE2 GLN A 24 23.287 15.819 -14.927 1.00 10.00 N ATOM 0 H GLN A 24 24.779 14.867 -10.957 1.00 10.00 H new ATOM 0 HA GLN A 24 26.504 17.116 -11.003 1.00 10.00 H new ATOM 0 HB2 GLN A 24 25.006 18.002 -12.723 1.00 10.00 H new ATOM 0 HB3 GLN A 24 25.582 16.378 -13.042 1.00 10.00 H new ATOM 0 HG2 GLN A 24 23.418 15.429 -12.374 1.00 10.00 H new ATOM 0 HG3 GLN A 24 22.835 17.010 -11.894 1.00 10.00 H new ATOM 0 HE21 GLN A 24 23.811 14.986 -14.660 1.00 10.00 H new ATOM 0 HE22 GLN A 24 22.978 15.939 -15.891 1.00 10.00 H new ATOM 408 N ALA A 25 23.746 17.558 -9.303 1.00 10.00 N ATOM 409 CA ALA A 25 23.061 18.464 -8.388 1.00 10.00 C ATOM 410 C ALA A 25 23.933 18.785 -7.175 1.00 10.00 C ATOM 411 O ALA A 25 23.964 19.921 -6.705 1.00 10.00 O ATOM 412 CB ALA A 25 21.730 17.853 -7.945 1.00 10.00 C ATOM 0 H ALA A 25 23.321 16.633 -9.357 1.00 10.00 H new ATOM 0 HA ALA A 25 22.864 19.398 -8.914 1.00 10.00 H new ATOM 0 HB1 ALA A 25 21.225 18.536 -7.262 1.00 10.00 H new ATOM 0 HB2 ALA A 25 21.100 17.681 -8.818 1.00 10.00 H new ATOM 0 HB3 ALA A 25 21.915 16.905 -7.439 1.00 10.00 H new ATOM 418 N ILE A 26 24.628 17.779 -6.643 1.00 10.00 N ATOM 419 CA ILE A 26 25.585 17.958 -5.565 1.00 10.00 C ATOM 420 C ILE A 26 26.828 18.675 -6.113 1.00 10.00 C ATOM 421 O ILE A 26 27.259 19.704 -5.595 1.00 10.00 O ATOM 422 CB ILE A 26 25.927 16.577 -4.970 1.00 10.00 C ATOM 423 CG1 ILE A 26 24.663 15.923 -4.376 1.00 10.00 C ATOM 424 CG2 ILE A 26 27.010 16.716 -3.889 1.00 10.00 C ATOM 425 CD1 ILE A 26 24.850 14.425 -4.112 1.00 10.00 C ATOM 0 H ILE A 26 24.538 16.812 -6.955 1.00 10.00 H new ATOM 0 HA ILE A 26 25.169 18.575 -4.768 1.00 10.00 H new ATOM 0 HB ILE A 26 26.309 15.940 -5.767 1.00 10.00 H new ATOM 0 HG12 ILE A 26 24.402 16.424 -3.444 1.00 10.00 H new ATOM 0 HG13 ILE A 26 23.827 16.067 -5.060 1.00 10.00 H new ATOM 0 HG21 ILE A 26 27.242 15.734 -3.478 1.00 10.00 H new ATOM 0 HG22 ILE A 26 27.910 17.147 -4.329 1.00 10.00 H new ATOM 0 HG23 ILE A 26 26.648 17.367 -3.093 1.00 10.00 H new ATOM 0 HD11 ILE A 26 23.932 14.012 -3.694 1.00 10.00 H new ATOM 0 HD12 ILE A 26 25.084 13.917 -5.048 1.00 10.00 H new ATOM 0 HD13 ILE A 26 25.668 14.279 -3.406 1.00 10.00 H new ATOM 437 N PHE A 27 27.396 18.098 -7.169 1.00 10.00 N ATOM 438 CA PHE A 27 28.683 18.407 -7.766 1.00 10.00 C ATOM 439 C PHE A 27 28.541 18.498 -9.297 1.00 10.00 C ATOM 440 O PHE A 27 28.656 17.473 -9.978 1.00 10.00 O ATOM 441 CB PHE A 27 29.621 17.262 -7.354 1.00 10.00 C ATOM 442 CG PHE A 27 31.103 17.507 -7.541 1.00 10.00 C ATOM 443 CD1 PHE A 27 31.672 17.486 -8.827 1.00 10.00 C ATOM 444 CD2 PHE A 27 31.944 17.560 -6.414 1.00 10.00 C ATOM 445 CE1 PHE A 27 33.064 17.536 -8.988 1.00 10.00 C ATOM 446 CE2 PHE A 27 33.336 17.624 -6.576 1.00 10.00 C ATOM 447 CZ PHE A 27 33.899 17.638 -7.863 1.00 10.00 C ATOM 0 H PHE A 27 26.926 17.341 -7.666 1.00 10.00 H new ATOM 0 HA PHE A 27 29.076 19.367 -7.430 1.00 10.00 H new ATOM 0 HB2 PHE A 27 29.442 17.035 -6.303 1.00 10.00 H new ATOM 0 HB3 PHE A 27 29.347 16.374 -7.923 1.00 10.00 H new ATOM 0 HD1 PHE A 27 31.033 17.431 -9.696 1.00 10.00 H new ATOM 0 HD2 PHE A 27 31.517 17.551 -5.422 1.00 10.00 H new ATOM 0 HE1 PHE A 27 33.495 17.496 -9.978 1.00 10.00 H new ATOM 0 HE2 PHE A 27 33.977 17.663 -5.708 1.00 10.00 H new ATOM 0 HZ PHE A 27 34.968 17.727 -7.987 1.00 10.00 H new ATOM 457 N PRO A 28 28.312 19.692 -9.873 1.00 10.00 N ATOM 458 CA PRO A 28 28.114 19.868 -11.309 1.00 10.00 C ATOM 459 C PRO A 28 29.415 19.563 -12.056 1.00 10.00 C ATOM 460 O PRO A 28 30.190 20.454 -12.396 1.00 10.00 O ATOM 461 CB PRO A 28 27.626 21.306 -11.487 1.00 10.00 C ATOM 462 CG PRO A 28 28.205 22.035 -10.274 1.00 10.00 C ATOM 463 CD PRO A 28 28.198 20.965 -9.183 1.00 10.00 C ATOM 0 HA PRO A 28 27.378 19.182 -11.728 1.00 10.00 H new ATOM 0 HB2 PRO A 28 27.983 21.738 -12.422 1.00 10.00 H new ATOM 0 HB3 PRO A 28 26.538 21.361 -11.506 1.00 10.00 H new ATOM 0 HG2 PRO A 28 29.212 22.403 -10.469 1.00 10.00 H new ATOM 0 HG3 PRO A 28 27.599 22.897 -9.996 1.00 10.00 H new ATOM 0 HD2 PRO A 28 29.027 21.109 -8.489 1.00 10.00 H new ATOM 0 HD3 PRO A 28 27.280 21.011 -8.597 1.00 10.00 H new ATOM 471 N THR A 29 29.659 18.275 -12.274 1.00 10.00 N ATOM 472 CA THR A 29 30.911 17.731 -12.764 1.00 10.00 C ATOM 473 C THR A 29 31.261 18.309 -14.145 1.00 10.00 C ATOM 474 O THR A 29 30.453 18.188 -15.064 1.00 10.00 O ATOM 475 CB THR A 29 30.796 16.205 -12.794 1.00 10.00 C ATOM 476 OG1 THR A 29 30.398 15.711 -11.524 1.00 10.00 O ATOM 477 CG2 THR A 29 32.125 15.537 -13.159 1.00 10.00 C ATOM 0 H THR A 29 28.957 17.555 -12.105 1.00 10.00 H new ATOM 0 HA THR A 29 31.727 18.013 -12.098 1.00 10.00 H new ATOM 0 HB THR A 29 30.052 15.966 -13.553 1.00 10.00 H new ATOM 0 HG1 THR A 29 29.929 16.416 -11.031 1.00 10.00 H new ATOM 0 HG21 THR A 29 31.998 14.455 -13.169 1.00 10.00 H new ATOM 0 HG22 THR A 29 32.443 15.874 -14.146 1.00 10.00 H new ATOM 0 HG23 THR A 29 32.882 15.807 -12.423 1.00 10.00 H new ATOM 485 N PRO A 30 32.455 18.907 -14.310 1.00 10.00 N ATOM 486 CA PRO A 30 32.928 19.483 -15.562 1.00 10.00 C ATOM 487 C PRO A 30 32.756 18.576 -16.783 1.00 10.00 C ATOM 488 O PRO A 30 32.263 19.028 -17.813 1.00 10.00 O ATOM 489 CB PRO A 30 34.403 19.822 -15.328 1.00 10.00 C ATOM 490 CG PRO A 30 34.459 20.105 -13.829 1.00 10.00 C ATOM 491 CD PRO A 30 33.426 19.136 -13.254 1.00 10.00 C ATOM 0 HA PRO A 30 32.327 20.359 -15.807 1.00 10.00 H new ATOM 0 HB2 PRO A 30 35.056 18.995 -15.607 1.00 10.00 H new ATOM 0 HB3 PRO A 30 34.716 20.687 -15.914 1.00 10.00 H new ATOM 0 HG2 PRO A 30 35.453 19.923 -13.421 1.00 10.00 H new ATOM 0 HG3 PRO A 30 34.208 21.142 -13.605 1.00 10.00 H new ATOM 0 HD2 PRO A 30 33.896 18.202 -12.948 1.00 10.00 H new ATOM 0 HD3 PRO A 30 32.948 19.556 -12.369 1.00 10.00 H new ATOM 499 N ASP A 31 33.210 17.319 -16.695 1.00 10.00 N ATOM 500 CA ASP A 31 33.235 16.393 -17.822 1.00 10.00 C ATOM 501 C ASP A 31 32.911 14.985 -17.321 1.00 10.00 C ATOM 502 O ASP A 31 33.505 14.580 -16.323 1.00 10.00 O ATOM 503 CB ASP A 31 34.638 16.400 -18.444 1.00 10.00 C ATOM 504 CG ASP A 31 34.653 15.690 -19.794 1.00 10.00 C ATOM 505 OD1 ASP A 31 34.498 14.449 -19.787 1.00 10.00 O ATOM 506 OD2 ASP A 31 34.808 16.399 -20.811 1.00 10.00 O ATOM 0 H ASP A 31 33.572 16.918 -15.830 1.00 10.00 H new ATOM 0 HA ASP A 31 32.500 16.695 -18.568 1.00 10.00 H new ATOM 0 HB2 ASP A 31 34.977 17.428 -18.569 1.00 10.00 H new ATOM 0 HB3 ASP A 31 35.340 15.913 -17.767 1.00 10.00 H new ATOM 511 N PRO A 32 32.040 14.215 -17.996 1.00 10.00 N ATOM 512 CA PRO A 32 31.801 12.808 -17.698 1.00 10.00 C ATOM 513 C PRO A 32 33.077 12.011 -17.404 1.00 10.00 C ATOM 514 O PRO A 32 33.119 11.250 -16.442 1.00 10.00 O ATOM 515 CB PRO A 32 31.052 12.260 -18.915 1.00 10.00 C ATOM 516 CG PRO A 32 30.252 13.475 -19.380 1.00 10.00 C ATOM 517 CD PRO A 32 31.214 14.635 -19.118 1.00 10.00 C ATOM 0 HA PRO A 32 31.224 12.709 -16.779 1.00 10.00 H new ATOM 0 HB2 PRO A 32 31.735 11.904 -19.686 1.00 10.00 H new ATOM 0 HB3 PRO A 32 30.405 11.424 -18.651 1.00 10.00 H new ATOM 0 HG2 PRO A 32 29.983 13.403 -20.434 1.00 10.00 H new ATOM 0 HG3 PRO A 32 29.323 13.586 -18.821 1.00 10.00 H new ATOM 0 HD2 PRO A 32 31.824 14.844 -19.997 1.00 10.00 H new ATOM 0 HD3 PRO A 32 30.670 15.550 -18.883 1.00 10.00 H new ATOM 525 N ALA A 33 34.134 12.196 -18.202 1.00 10.00 N ATOM 526 CA ALA A 33 35.406 11.507 -18.006 1.00 10.00 C ATOM 527 C ALA A 33 35.935 11.671 -16.577 1.00 10.00 C ATOM 528 O ALA A 33 36.526 10.747 -16.018 1.00 10.00 O ATOM 529 CB ALA A 33 36.429 12.014 -19.026 1.00 10.00 C ATOM 0 H ALA A 33 34.128 12.829 -19.002 1.00 10.00 H new ATOM 0 HA ALA A 33 35.240 10.441 -18.161 1.00 10.00 H new ATOM 0 HB1 ALA A 33 37.378 11.498 -18.877 1.00 10.00 H new ATOM 0 HB2 ALA A 33 36.064 11.819 -20.035 1.00 10.00 H new ATOM 0 HB3 ALA A 33 36.575 13.086 -18.893 1.00 10.00 H new ATOM 535 N ALA A 34 35.702 12.837 -15.969 1.00 10.00 N ATOM 536 CA ALA A 34 36.141 13.130 -14.613 1.00 10.00 C ATOM 537 C ALA A 34 35.602 12.102 -13.612 1.00 10.00 C ATOM 538 O ALA A 34 36.243 11.846 -12.593 1.00 10.00 O ATOM 539 CB ALA A 34 35.724 14.554 -14.231 1.00 10.00 C ATOM 0 H ALA A 34 35.199 13.606 -16.412 1.00 10.00 H new ATOM 0 HA ALA A 34 37.228 13.063 -14.578 1.00 10.00 H new ATOM 0 HB1 ALA A 34 36.054 14.770 -13.215 1.00 10.00 H new ATOM 0 HB2 ALA A 34 36.181 15.264 -14.920 1.00 10.00 H new ATOM 0 HB3 ALA A 34 34.639 14.643 -14.286 1.00 10.00 H new ATOM 545 N LEU A 35 34.448 11.486 -13.906 1.00 10.00 N ATOM 546 CA LEU A 35 33.844 10.472 -13.050 1.00 10.00 C ATOM 547 C LEU A 35 34.786 9.290 -12.793 1.00 10.00 C ATOM 548 O LEU A 35 34.626 8.589 -11.798 1.00 10.00 O ATOM 549 CB LEU A 35 32.502 9.995 -13.628 1.00 10.00 C ATOM 550 CG LEU A 35 31.454 11.114 -13.781 1.00 10.00 C ATOM 551 CD1 LEU A 35 30.257 10.585 -14.578 1.00 10.00 C ATOM 552 CD2 LEU A 35 30.958 11.631 -12.425 1.00 10.00 C ATOM 0 H LEU A 35 33.910 11.683 -14.750 1.00 10.00 H new ATOM 0 HA LEU A 35 33.655 10.940 -12.084 1.00 10.00 H new ATOM 0 HB2 LEU A 35 32.679 9.541 -14.603 1.00 10.00 H new ATOM 0 HB3 LEU A 35 32.096 9.216 -12.982 1.00 10.00 H new ATOM 0 HG LEU A 35 31.933 11.942 -14.304 1.00 10.00 H new ATOM 0 HD11 LEU A 35 29.515 11.376 -14.687 1.00 10.00 H new ATOM 0 HD12 LEU A 35 30.591 10.262 -15.564 1.00 10.00 H new ATOM 0 HD13 LEU A 35 29.813 9.741 -14.050 1.00 10.00 H new ATOM 0 HD21 LEU A 35 30.221 12.418 -12.583 1.00 10.00 H new ATOM 0 HD22 LEU A 35 30.501 10.813 -11.869 1.00 10.00 H new ATOM 0 HD23 LEU A 35 31.799 12.030 -11.858 1.00 10.00 H new ATOM 564 N LYS A 36 35.782 9.067 -13.660 1.00 10.00 N ATOM 565 CA LYS A 36 36.783 8.038 -13.438 1.00 10.00 C ATOM 566 C LYS A 36 37.613 8.297 -12.171 1.00 10.00 C ATOM 567 O LYS A 36 38.130 7.349 -11.581 1.00 10.00 O ATOM 568 CB LYS A 36 37.688 7.936 -14.669 1.00 10.00 C ATOM 569 CG LYS A 36 36.916 7.450 -15.904 1.00 10.00 C ATOM 570 CD LYS A 36 37.838 7.200 -17.106 1.00 10.00 C ATOM 571 CE LYS A 36 38.450 8.498 -17.646 1.00 10.00 C ATOM 572 NZ LYS A 36 39.265 8.249 -18.848 1.00 10.00 N ATOM 0 H LYS A 36 35.909 9.594 -14.524 1.00 10.00 H new ATOM 0 HA LYS A 36 36.266 7.091 -13.283 1.00 10.00 H new ATOM 0 HB2 LYS A 36 38.130 8.910 -14.877 1.00 10.00 H new ATOM 0 HB3 LYS A 36 38.510 7.251 -14.461 1.00 10.00 H new ATOM 0 HG2 LYS A 36 36.385 6.530 -15.659 1.00 10.00 H new ATOM 0 HG3 LYS A 36 36.163 8.191 -16.174 1.00 10.00 H new ATOM 0 HD2 LYS A 36 38.636 6.518 -16.814 1.00 10.00 H new ATOM 0 HD3 LYS A 36 37.274 6.709 -17.899 1.00 10.00 H new ATOM 0 HE2 LYS A 36 37.655 9.205 -17.883 1.00 10.00 H new ATOM 0 HE3 LYS A 36 39.067 8.959 -16.875 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 39.665 9.147 -19.188 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 40.037 7.593 -18.614 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 38.669 7.831 -19.591 1.00 10.00 H new ATOM 586 N ASP A 37 37.785 9.558 -11.757 1.00 10.00 N ATOM 587 CA ASP A 37 38.634 9.876 -10.614 1.00 10.00 C ATOM 588 C ASP A 37 38.048 9.285 -9.328 1.00 10.00 C ATOM 589 O ASP A 37 36.850 9.397 -9.090 1.00 10.00 O ATOM 590 CB ASP A 37 38.804 11.394 -10.491 1.00 10.00 C ATOM 591 CG ASP A 37 39.815 11.753 -9.406 1.00 10.00 C ATOM 592 OD1 ASP A 37 39.454 11.616 -8.216 1.00 10.00 O ATOM 593 OD2 ASP A 37 40.941 12.140 -9.783 1.00 10.00 O ATOM 0 H ASP A 37 37.348 10.368 -12.197 1.00 10.00 H new ATOM 0 HA ASP A 37 39.616 9.431 -10.771 1.00 10.00 H new ATOM 0 HB2 ASP A 37 39.132 11.804 -11.446 1.00 10.00 H new ATOM 0 HB3 ASP A 37 37.842 11.852 -10.261 1.00 10.00 H new ATOM 598 N ARG A 38 38.893 8.697 -8.476 1.00 10.00 N ATOM 599 CA ARG A 38 38.482 8.060 -7.225 1.00 10.00 C ATOM 600 C ARG A 38 37.579 8.962 -6.372 1.00 10.00 C ATOM 601 O ARG A 38 36.605 8.488 -5.782 1.00 10.00 O ATOM 602 CB ARG A 38 39.719 7.619 -6.427 1.00 10.00 C ATOM 603 CG ARG A 38 40.686 6.678 -7.171 1.00 10.00 C ATOM 604 CD ARG A 38 40.046 5.356 -7.616 1.00 10.00 C ATOM 605 NE ARG A 38 39.223 5.526 -8.822 1.00 10.00 N ATOM 606 CZ ARG A 38 38.248 4.696 -9.217 1.00 10.00 C ATOM 607 NH1 ARG A 38 38.030 3.541 -8.579 1.00 10.00 N ATOM 608 NH2 ARG A 38 37.485 5.038 -10.257 1.00 10.00 N ATOM 0 H ARG A 38 39.899 8.650 -8.641 1.00 10.00 H new ATOM 0 HA ARG A 38 37.889 7.183 -7.487 1.00 10.00 H new ATOM 0 HB2 ARG A 38 40.269 8.509 -6.121 1.00 10.00 H new ATOM 0 HB3 ARG A 38 39.384 7.122 -5.516 1.00 10.00 H new ATOM 0 HG2 ARG A 38 41.078 7.194 -8.048 1.00 10.00 H new ATOM 0 HG3 ARG A 38 41.535 6.460 -6.524 1.00 10.00 H new ATOM 0 HD2 ARG A 38 40.827 4.621 -7.810 1.00 10.00 H new ATOM 0 HD3 ARG A 38 39.430 4.961 -6.808 1.00 10.00 H new ATOM 0 HE ARG A 38 39.409 6.342 -9.405 1.00 10.00 H new ATOM 0 HH11 ARG A 38 38.610 3.282 -7.781 1.00 10.00 H new ATOM 0 HH12 ARG A 38 37.284 2.919 -8.891 1.00 10.00 H new ATOM 0 HH21 ARG A 38 37.648 5.921 -10.740 1.00 10.00 H new ATOM 0 HH22 ARG A 38 36.739 4.416 -10.569 1.00 10.00 H new ATOM 622 N ARG A 39 37.893 10.260 -6.308 1.00 10.00 N ATOM 623 CA ARG A 39 37.076 11.245 -5.609 1.00 10.00 C ATOM 624 C ARG A 39 35.633 11.172 -6.115 1.00 10.00 C ATOM 625 O ARG A 39 34.686 11.081 -5.333 1.00 10.00 O ATOM 626 CB ARG A 39 37.674 12.643 -5.834 1.00 10.00 C ATOM 627 CG ARG A 39 36.960 13.737 -5.030 1.00 10.00 C ATOM 628 CD ARG A 39 37.511 15.111 -5.427 1.00 10.00 C ATOM 629 NE ARG A 39 36.839 16.185 -4.683 1.00 10.00 N ATOM 630 CZ ARG A 39 36.797 17.471 -5.066 1.00 10.00 C ATOM 631 NH1 ARG A 39 37.455 17.876 -6.157 1.00 10.00 N ATOM 632 NH2 ARG A 39 36.081 18.345 -4.353 1.00 10.00 N ATOM 0 H ARG A 39 38.727 10.654 -6.744 1.00 10.00 H new ATOM 0 HA ARG A 39 37.068 11.037 -4.539 1.00 10.00 H new ATOM 0 HB2 ARG A 39 38.729 12.629 -5.561 1.00 10.00 H new ATOM 0 HB3 ARG A 39 37.623 12.888 -6.895 1.00 10.00 H new ATOM 0 HG2 ARG A 39 35.887 13.697 -5.216 1.00 10.00 H new ATOM 0 HG3 ARG A 39 37.105 13.571 -3.963 1.00 10.00 H new ATOM 0 HD2 ARG A 39 38.583 15.146 -5.234 1.00 10.00 H new ATOM 0 HD3 ARG A 39 37.375 15.266 -6.497 1.00 10.00 H new ATOM 0 HE ARG A 39 36.370 15.935 -3.812 1.00 10.00 H new ATOM 0 HH11 ARG A 39 37.994 17.206 -6.705 1.00 10.00 H new ATOM 0 HH12 ARG A 39 37.418 18.855 -6.441 1.00 10.00 H new ATOM 0 HH21 ARG A 39 35.572 18.033 -3.526 1.00 10.00 H new ATOM 0 HH22 ARG A 39 36.043 19.324 -4.636 1.00 10.00 H new ATOM 646 N MET A 40 35.466 11.191 -7.438 1.00 10.00 N ATOM 647 CA MET A 40 34.159 11.124 -8.047 1.00 10.00 C ATOM 648 C MET A 40 33.564 9.739 -7.840 1.00 10.00 C ATOM 649 O MET A 40 32.403 9.644 -7.471 1.00 10.00 O ATOM 650 CB MET A 40 34.239 11.472 -9.530 1.00 10.00 C ATOM 651 CG MET A 40 34.714 12.906 -9.789 1.00 10.00 C ATOM 652 SD MET A 40 33.862 14.232 -8.893 1.00 10.00 S ATOM 653 CE MET A 40 32.165 13.966 -9.449 1.00 10.00 C ATOM 0 H MET A 40 36.235 11.253 -8.105 1.00 10.00 H new ATOM 0 HA MET A 40 33.507 11.856 -7.570 1.00 10.00 H new ATOM 0 HB2 MET A 40 34.918 10.777 -10.024 1.00 10.00 H new ATOM 0 HB3 MET A 40 33.257 11.334 -9.982 1.00 10.00 H new ATOM 0 HG2 MET A 40 35.775 12.960 -9.545 1.00 10.00 H new ATOM 0 HG3 MET A 40 34.622 13.105 -10.857 1.00 10.00 H new ATOM 0 HE1 MET A 40 31.508 14.693 -8.972 1.00 10.00 H new ATOM 0 HE2 MET A 40 32.114 14.085 -10.531 1.00 10.00 H new ATOM 0 HE3 MET A 40 31.847 12.959 -9.179 1.00 10.00 H new ATOM 663 N GLU A 41 34.343 8.672 -8.032 1.00 10.00 N ATOM 664 CA GLU A 41 33.888 7.304 -7.813 1.00 10.00 C ATOM 665 C GLU A 41 33.206 7.174 -6.446 1.00 10.00 C ATOM 666 O GLU A 41 32.138 6.578 -6.326 1.00 10.00 O ATOM 667 CB GLU A 41 35.069 6.330 -7.946 1.00 10.00 C ATOM 668 CG GLU A 41 34.622 4.863 -8.036 1.00 10.00 C ATOM 669 CD GLU A 41 34.064 4.507 -9.411 1.00 10.00 C ATOM 670 OE1 GLU A 41 32.837 4.663 -9.589 1.00 10.00 O ATOM 671 OE2 GLU A 41 34.880 4.078 -10.257 1.00 10.00 O ATOM 0 H GLU A 41 35.311 8.737 -8.345 1.00 10.00 H new ATOM 0 HA GLU A 41 33.150 7.049 -8.573 1.00 10.00 H new ATOM 0 HB2 GLU A 41 35.646 6.585 -8.835 1.00 10.00 H new ATOM 0 HB3 GLU A 41 35.733 6.451 -7.090 1.00 10.00 H new ATOM 0 HG2 GLU A 41 35.468 4.214 -7.811 1.00 10.00 H new ATOM 0 HG3 GLU A 41 33.863 4.670 -7.278 1.00 10.00 H new ATOM 678 N ASN A 42 33.812 7.760 -5.412 1.00 10.00 N ATOM 679 CA ASN A 42 33.217 7.785 -4.079 1.00 10.00 C ATOM 680 C ASN A 42 31.859 8.497 -4.088 1.00 10.00 C ATOM 681 O ASN A 42 30.895 7.990 -3.517 1.00 10.00 O ATOM 682 CB ASN A 42 34.172 8.416 -3.058 1.00 10.00 C ATOM 683 CG ASN A 42 35.205 7.412 -2.554 1.00 10.00 C ATOM 684 OD1 ASN A 42 35.047 6.842 -1.481 1.00 10.00 O ATOM 685 ND2 ASN A 42 36.270 7.177 -3.314 1.00 10.00 N ATOM 0 H ASN A 42 34.718 8.225 -5.475 1.00 10.00 H new ATOM 0 HA ASN A 42 33.043 6.753 -3.775 1.00 10.00 H new ATOM 0 HB2 ASN A 42 34.682 9.265 -3.513 1.00 10.00 H new ATOM 0 HB3 ASN A 42 33.599 8.803 -2.215 1.00 10.00 H new ATOM 0 HD21 ASN A 42 36.978 6.510 -3.008 1.00 10.00 H new ATOM 0 HD22 ASN A 42 36.379 7.664 -4.204 1.00 10.00 H new ATOM 692 N LEU A 43 31.760 9.662 -4.734 1.00 10.00 N ATOM 693 CA LEU A 43 30.506 10.408 -4.806 1.00 10.00 C ATOM 694 C LEU A 43 29.446 9.623 -5.590 1.00 10.00 C ATOM 695 O LEU A 43 28.279 9.586 -5.207 1.00 10.00 O ATOM 696 CB LEU A 43 30.759 11.801 -5.402 1.00 10.00 C ATOM 697 CG LEU A 43 29.491 12.666 -5.522 1.00 10.00 C ATOM 698 CD1 LEU A 43 28.784 12.880 -4.179 1.00 10.00 C ATOM 699 CD2 LEU A 43 29.866 14.035 -6.095 1.00 10.00 C ATOM 0 H LEU A 43 32.540 10.109 -5.216 1.00 10.00 H new ATOM 0 HA LEU A 43 30.112 10.545 -3.799 1.00 10.00 H new ATOM 0 HB2 LEU A 43 31.487 12.324 -4.782 1.00 10.00 H new ATOM 0 HB3 LEU A 43 31.205 11.688 -6.390 1.00 10.00 H new ATOM 0 HG LEU A 43 28.804 12.132 -6.178 1.00 10.00 H new ATOM 0 HD11 LEU A 43 27.898 13.497 -4.329 1.00 10.00 H new ATOM 0 HD12 LEU A 43 28.489 11.916 -3.765 1.00 10.00 H new ATOM 0 HD13 LEU A 43 29.462 13.380 -3.487 1.00 10.00 H new ATOM 0 HD21 LEU A 43 28.971 14.651 -6.182 1.00 10.00 H new ATOM 0 HD22 LEU A 43 30.580 14.524 -5.432 1.00 10.00 H new ATOM 0 HD23 LEU A 43 30.315 13.907 -7.080 1.00 10.00 H new ATOM 711 N VAL A 44 29.848 8.976 -6.682 1.00 10.00 N ATOM 712 CA VAL A 44 29.003 8.098 -7.475 1.00 10.00 C ATOM 713 C VAL A 44 28.474 6.975 -6.576 1.00 10.00 C ATOM 714 O VAL A 44 27.267 6.753 -6.508 1.00 10.00 O ATOM 715 CB VAL A 44 29.805 7.585 -8.685 1.00 10.00 C ATOM 716 CG1 VAL A 44 29.076 6.461 -9.431 1.00 10.00 C ATOM 717 CG2 VAL A 44 30.102 8.720 -9.678 1.00 10.00 C ATOM 0 H VAL A 44 30.798 9.053 -7.046 1.00 10.00 H new ATOM 0 HA VAL A 44 28.136 8.627 -7.871 1.00 10.00 H new ATOM 0 HB VAL A 44 30.738 7.191 -8.282 1.00 10.00 H new ATOM 0 HG11 VAL A 44 29.681 6.133 -10.276 1.00 10.00 H new ATOM 0 HG12 VAL A 44 28.912 5.622 -8.755 1.00 10.00 H new ATOM 0 HG13 VAL A 44 28.116 6.828 -9.794 1.00 10.00 H new ATOM 0 HG21 VAL A 44 30.669 8.326 -10.521 1.00 10.00 H new ATOM 0 HG22 VAL A 44 29.164 9.144 -10.038 1.00 10.00 H new ATOM 0 HG23 VAL A 44 30.683 9.496 -9.180 1.00 10.00 H new ATOM 727 N ALA A 45 29.366 6.280 -5.865 1.00 10.00 N ATOM 728 CA ALA A 45 28.994 5.219 -4.937 1.00 10.00 C ATOM 729 C ALA A 45 27.998 5.731 -3.891 1.00 10.00 C ATOM 730 O ALA A 45 26.957 5.113 -3.671 1.00 10.00 O ATOM 731 CB ALA A 45 30.249 4.633 -4.283 1.00 10.00 C ATOM 0 H ALA A 45 30.372 6.442 -5.920 1.00 10.00 H new ATOM 0 HA ALA A 45 28.497 4.423 -5.491 1.00 10.00 H new ATOM 0 HB1 ALA A 45 29.963 3.841 -3.591 1.00 10.00 H new ATOM 0 HB2 ALA A 45 30.903 4.223 -5.053 1.00 10.00 H new ATOM 0 HB3 ALA A 45 30.776 5.417 -3.739 1.00 10.00 H new ATOM 737 N TYR A 46 28.303 6.873 -3.266 1.00 10.00 N ATOM 738 CA TYR A 46 27.395 7.535 -2.340 1.00 10.00 C ATOM 739 C TYR A 46 26.023 7.725 -2.988 1.00 10.00 C ATOM 740 O TYR A 46 25.013 7.317 -2.425 1.00 10.00 O ATOM 741 CB TYR A 46 27.985 8.878 -1.886 1.00 10.00 C ATOM 742 CG TYR A 46 27.047 9.704 -1.026 1.00 10.00 C ATOM 743 CD1 TYR A 46 26.100 10.558 -1.629 1.00 10.00 C ATOM 744 CD2 TYR A 46 27.073 9.568 0.373 1.00 10.00 C ATOM 745 CE1 TYR A 46 25.176 11.258 -0.836 1.00 10.00 C ATOM 746 CE2 TYR A 46 26.194 10.323 1.168 1.00 10.00 C ATOM 747 CZ TYR A 46 25.268 11.188 0.564 1.00 10.00 C ATOM 748 OH TYR A 46 24.494 11.994 1.341 1.00 10.00 O ATOM 0 H TYR A 46 29.190 7.361 -3.392 1.00 10.00 H new ATOM 0 HA TYR A 46 27.267 6.907 -1.458 1.00 10.00 H new ATOM 0 HB2 TYR A 46 28.902 8.690 -1.328 1.00 10.00 H new ATOM 0 HB3 TYR A 46 28.260 9.459 -2.766 1.00 10.00 H new ATOM 0 HD1 TYR A 46 26.085 10.674 -2.703 1.00 10.00 H new ATOM 0 HD2 TYR A 46 27.768 8.884 0.836 1.00 10.00 H new ATOM 0 HE1 TYR A 46 24.399 11.847 -1.300 1.00 10.00 H new ATOM 0 HE2 TYR A 46 26.231 10.238 2.244 1.00 10.00 H new ATOM 0 HH TYR A 46 24.682 11.816 2.286 1.00 10.00 H new ATOM 758 N ALA A 47 25.978 8.357 -4.161 1.00 10.00 N ATOM 759 CA ALA A 47 24.738 8.643 -4.865 1.00 10.00 C ATOM 760 C ALA A 47 23.955 7.359 -5.146 1.00 10.00 C ATOM 761 O ALA A 47 22.747 7.325 -4.924 1.00 10.00 O ATOM 762 CB ALA A 47 25.052 9.420 -6.145 1.00 10.00 C ATOM 0 H ALA A 47 26.811 8.686 -4.649 1.00 10.00 H new ATOM 0 HA ALA A 47 24.098 9.262 -4.236 1.00 10.00 H new ATOM 0 HB1 ALA A 47 24.125 9.636 -6.676 1.00 10.00 H new ATOM 0 HB2 ALA A 47 25.551 10.355 -5.890 1.00 10.00 H new ATOM 0 HB3 ALA A 47 25.704 8.823 -6.782 1.00 10.00 H new ATOM 768 N LYS A 48 24.629 6.298 -5.605 1.00 10.00 N ATOM 769 CA LYS A 48 24.007 4.992 -5.789 1.00 10.00 C ATOM 770 C LYS A 48 23.379 4.510 -4.477 1.00 10.00 C ATOM 771 O LYS A 48 22.194 4.177 -4.439 1.00 10.00 O ATOM 772 CB LYS A 48 25.027 3.972 -6.318 1.00 10.00 C ATOM 773 CG LYS A 48 25.397 4.248 -7.779 1.00 10.00 C ATOM 774 CD LYS A 48 26.469 3.263 -8.260 1.00 10.00 C ATOM 775 CE LYS A 48 26.733 3.457 -9.757 1.00 10.00 C ATOM 776 NZ LYS A 48 27.825 2.586 -10.228 1.00 10.00 N ATOM 0 H LYS A 48 25.617 6.325 -5.857 1.00 10.00 H new ATOM 0 HA LYS A 48 23.215 5.088 -6.532 1.00 10.00 H new ATOM 0 HB2 LYS A 48 25.926 4.003 -5.703 1.00 10.00 H new ATOM 0 HB3 LYS A 48 24.616 2.966 -6.230 1.00 10.00 H new ATOM 0 HG2 LYS A 48 24.510 4.163 -8.407 1.00 10.00 H new ATOM 0 HG3 LYS A 48 25.763 5.270 -7.880 1.00 10.00 H new ATOM 0 HD2 LYS A 48 27.391 3.415 -7.698 1.00 10.00 H new ATOM 0 HD3 LYS A 48 26.145 2.240 -8.070 1.00 10.00 H new ATOM 0 HE2 LYS A 48 25.825 3.240 -10.319 1.00 10.00 H new ATOM 0 HE3 LYS A 48 26.987 4.499 -9.951 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 27.979 2.741 -11.245 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 28.697 2.810 -9.708 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 27.571 1.591 -10.064 1.00 10.00 H new ATOM 790 N LYS A 49 24.174 4.479 -3.403 1.00 10.00 N ATOM 791 CA LYS A 49 23.733 4.055 -2.080 1.00 10.00 C ATOM 792 C LYS A 49 22.476 4.822 -1.664 1.00 10.00 C ATOM 793 O LYS A 49 21.451 4.229 -1.333 1.00 10.00 O ATOM 794 CB LYS A 49 24.880 4.260 -1.083 1.00 10.00 C ATOM 795 CG LYS A 49 24.604 3.605 0.273 1.00 10.00 C ATOM 796 CD LYS A 49 25.812 3.797 1.199 1.00 10.00 C ATOM 797 CE LYS A 49 25.579 3.176 2.582 1.00 10.00 C ATOM 798 NZ LYS A 49 24.513 3.869 3.327 1.00 10.00 N ATOM 0 H LYS A 49 25.156 4.753 -3.434 1.00 10.00 H new ATOM 0 HA LYS A 49 23.471 2.997 -2.096 1.00 10.00 H new ATOM 0 HB2 LYS A 49 25.798 3.848 -1.501 1.00 10.00 H new ATOM 0 HB3 LYS A 49 25.046 5.328 -0.940 1.00 10.00 H new ATOM 0 HG2 LYS A 49 23.715 4.044 0.725 1.00 10.00 H new ATOM 0 HG3 LYS A 49 24.402 2.542 0.139 1.00 10.00 H new ATOM 0 HD2 LYS A 49 26.694 3.347 0.743 1.00 10.00 H new ATOM 0 HD3 LYS A 49 26.019 4.861 1.310 1.00 10.00 H new ATOM 0 HE2 LYS A 49 25.316 2.124 2.467 1.00 10.00 H new ATOM 0 HE3 LYS A 49 26.505 3.212 3.156 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 24.469 3.496 4.297 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 24.717 4.888 3.357 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 23.600 3.712 2.854 1.00 10.00 H new ATOM 812 N VAL A 50 22.573 6.150 -1.681 1.00 10.00 N ATOM 813 CA VAL A 50 21.487 7.053 -1.329 1.00 10.00 C ATOM 814 C VAL A 50 20.252 6.768 -2.195 1.00 10.00 C ATOM 815 O VAL A 50 19.172 6.554 -1.651 1.00 10.00 O ATOM 816 CB VAL A 50 21.993 8.518 -1.326 1.00 10.00 C ATOM 817 CG1 VAL A 50 21.097 9.544 -2.022 1.00 10.00 C ATOM 818 CG2 VAL A 50 22.211 8.992 0.117 1.00 10.00 C ATOM 0 H VAL A 50 23.430 6.636 -1.946 1.00 10.00 H new ATOM 0 HA VAL A 50 21.147 6.876 -0.309 1.00 10.00 H new ATOM 0 HB VAL A 50 22.915 8.477 -1.905 1.00 10.00 H new ATOM 0 HG11 VAL A 50 21.554 10.531 -1.955 1.00 10.00 H new ATOM 0 HG12 VAL A 50 20.977 9.270 -3.070 1.00 10.00 H new ATOM 0 HG13 VAL A 50 20.121 9.563 -1.537 1.00 10.00 H new ATOM 0 HG21 VAL A 50 22.567 10.022 0.112 1.00 10.00 H new ATOM 0 HG22 VAL A 50 21.270 8.936 0.665 1.00 10.00 H new ATOM 0 HG23 VAL A 50 22.951 8.355 0.601 1.00 10.00 H new ATOM 828 N GLU A 51 20.387 6.718 -3.524 1.00 10.00 N ATOM 829 CA GLU A 51 19.271 6.420 -4.408 1.00 10.00 C ATOM 830 C GLU A 51 18.609 5.091 -4.034 1.00 10.00 C ATOM 831 O GLU A 51 17.387 5.025 -3.895 1.00 10.00 O ATOM 832 CB GLU A 51 19.738 6.496 -5.867 1.00 10.00 C ATOM 833 CG GLU A 51 18.593 6.272 -6.867 1.00 10.00 C ATOM 834 CD GLU A 51 18.279 4.794 -7.083 1.00 10.00 C ATOM 835 OE1 GLU A 51 19.242 4.010 -7.226 1.00 10.00 O ATOM 836 OE2 GLU A 51 17.073 4.475 -7.114 1.00 10.00 O ATOM 0 H GLU A 51 21.269 6.883 -4.008 1.00 10.00 H new ATOM 0 HA GLU A 51 18.489 7.170 -4.287 1.00 10.00 H new ATOM 0 HB2 GLU A 51 20.189 7.471 -6.050 1.00 10.00 H new ATOM 0 HB3 GLU A 51 20.514 5.749 -6.036 1.00 10.00 H new ATOM 0 HG2 GLU A 51 17.698 6.780 -6.508 1.00 10.00 H new ATOM 0 HG3 GLU A 51 18.856 6.726 -7.822 1.00 10.00 H new ATOM 843 N GLY A 52 19.409 4.037 -3.857 1.00 10.00 N ATOM 844 CA GLY A 52 18.911 2.743 -3.415 1.00 10.00 C ATOM 845 C GLY A 52 18.109 2.886 -2.121 1.00 10.00 C ATOM 846 O GLY A 52 16.950 2.475 -2.051 1.00 10.00 O ATOM 0 H GLY A 52 20.416 4.061 -4.017 1.00 10.00 H new ATOM 0 HA2 GLY A 52 18.283 2.305 -4.191 1.00 10.00 H new ATOM 0 HA3 GLY A 52 19.746 2.061 -3.258 1.00 10.00 H new ATOM 850 N ASP A 53 18.723 3.496 -1.102 1.00 10.00 N ATOM 851 CA ASP A 53 18.091 3.738 0.187 1.00 10.00 C ATOM 852 C ASP A 53 16.728 4.408 0.004 1.00 10.00 C ATOM 853 O ASP A 53 15.727 3.940 0.548 1.00 10.00 O ATOM 854 CB ASP A 53 19.009 4.580 1.077 1.00 10.00 C ATOM 855 CG ASP A 53 18.405 4.772 2.463 1.00 10.00 C ATOM 856 OD1 ASP A 53 18.573 3.845 3.284 1.00 10.00 O ATOM 857 OD2 ASP A 53 17.793 5.841 2.674 1.00 10.00 O ATOM 0 H ASP A 53 19.683 3.837 -1.155 1.00 10.00 H new ATOM 0 HA ASP A 53 17.925 2.781 0.681 1.00 10.00 H new ATOM 0 HB2 ASP A 53 19.981 4.094 1.165 1.00 10.00 H new ATOM 0 HB3 ASP A 53 19.179 5.552 0.613 1.00 10.00 H new ATOM 862 N MET A 54 16.682 5.486 -0.782 1.00 10.00 N ATOM 863 CA MET A 54 15.437 6.178 -1.066 1.00 10.00 C ATOM 864 C MET A 54 14.424 5.250 -1.732 1.00 10.00 C ATOM 865 O MET A 54 13.264 5.245 -1.329 1.00 10.00 O ATOM 866 CB MET A 54 15.678 7.429 -1.914 1.00 10.00 C ATOM 867 CG MET A 54 16.510 8.493 -1.186 1.00 10.00 C ATOM 868 SD MET A 54 16.237 8.724 0.589 1.00 10.00 S ATOM 869 CE MET A 54 17.374 10.090 0.829 1.00 10.00 C ATOM 0 H MET A 54 17.501 5.895 -1.232 1.00 10.00 H new ATOM 0 HA MET A 54 15.016 6.498 -0.113 1.00 10.00 H new ATOM 0 HB2 MET A 54 16.187 7.145 -2.835 1.00 10.00 H new ATOM 0 HB3 MET A 54 14.718 7.859 -2.200 1.00 10.00 H new ATOM 0 HG2 MET A 54 17.563 8.251 -1.332 1.00 10.00 H new ATOM 0 HG3 MET A 54 16.332 9.449 -1.678 1.00 10.00 H new ATOM 0 HE1 MET A 54 17.075 10.663 1.707 1.00 10.00 H new ATOM 0 HE2 MET A 54 18.382 9.703 0.975 1.00 10.00 H new ATOM 0 HE3 MET A 54 17.357 10.736 -0.049 1.00 10.00 H new ATOM 879 N TYR A 55 14.842 4.466 -2.731 1.00 10.00 N ATOM 880 CA TYR A 55 13.953 3.520 -3.399 1.00 10.00 C ATOM 881 C TYR A 55 13.281 2.612 -2.369 1.00 10.00 C ATOM 882 O TYR A 55 12.060 2.483 -2.355 1.00 10.00 O ATOM 883 CB TYR A 55 14.707 2.703 -4.461 1.00 10.00 C ATOM 884 CG TYR A 55 13.835 2.205 -5.604 1.00 10.00 C ATOM 885 CD1 TYR A 55 12.816 1.253 -5.389 1.00 10.00 C ATOM 886 CD2 TYR A 55 14.030 2.727 -6.895 1.00 10.00 C ATOM 887 CE1 TYR A 55 11.990 0.855 -6.456 1.00 10.00 C ATOM 888 CE2 TYR A 55 13.227 2.301 -7.963 1.00 10.00 C ATOM 889 CZ TYR A 55 12.214 1.357 -7.748 1.00 10.00 C ATOM 890 OH TYR A 55 11.483 0.881 -8.793 1.00 10.00 O ATOM 0 H TYR A 55 15.795 4.471 -3.093 1.00 10.00 H new ATOM 0 HA TYR A 55 13.176 4.082 -3.918 1.00 10.00 H new ATOM 0 HB2 TYR A 55 15.509 3.316 -4.872 1.00 10.00 H new ATOM 0 HB3 TYR A 55 15.176 1.846 -3.978 1.00 10.00 H new ATOM 0 HD1 TYR A 55 12.670 0.830 -4.406 1.00 10.00 H new ATOM 0 HD2 TYR A 55 14.804 3.461 -7.065 1.00 10.00 H new ATOM 0 HE1 TYR A 55 11.181 0.161 -6.281 1.00 10.00 H new ATOM 0 HE2 TYR A 55 13.390 2.701 -8.953 1.00 10.00 H new ATOM 0 HH TYR A 55 11.947 1.078 -9.633 1.00 10.00 H new ATOM 900 N GLU A 56 14.072 1.986 -1.495 1.00 10.00 N ATOM 901 CA GLU A 56 13.532 1.081 -0.498 1.00 10.00 C ATOM 902 C GLU A 56 12.707 1.814 0.567 1.00 10.00 C ATOM 903 O GLU A 56 11.739 1.258 1.080 1.00 10.00 O ATOM 904 CB GLU A 56 14.671 0.254 0.099 1.00 10.00 C ATOM 905 CG GLU A 56 15.517 -0.441 -0.980 1.00 10.00 C ATOM 906 CD GLU A 56 14.689 -1.173 -2.033 1.00 10.00 C ATOM 907 OE1 GLU A 56 13.938 -2.089 -1.636 1.00 10.00 O ATOM 908 OE2 GLU A 56 14.822 -0.803 -3.222 1.00 10.00 O ATOM 0 H GLU A 56 15.086 2.094 -1.463 1.00 10.00 H new ATOM 0 HA GLU A 56 12.830 0.401 -0.980 1.00 10.00 H new ATOM 0 HB2 GLU A 56 15.311 0.901 0.698 1.00 10.00 H new ATOM 0 HB3 GLU A 56 14.257 -0.497 0.772 1.00 10.00 H new ATOM 0 HG2 GLU A 56 16.141 0.303 -1.475 1.00 10.00 H new ATOM 0 HG3 GLU A 56 16.189 -1.153 -0.500 1.00 10.00 H new ATOM 915 N SER A 57 13.068 3.053 0.908 1.00 10.00 N ATOM 916 CA SER A 57 12.308 3.842 1.874 1.00 10.00 C ATOM 917 C SER A 57 10.944 4.273 1.319 1.00 10.00 C ATOM 918 O SER A 57 9.943 4.273 2.032 1.00 10.00 O ATOM 919 CB SER A 57 13.123 5.070 2.293 1.00 10.00 C ATOM 920 OG SER A 57 14.366 4.673 2.837 1.00 10.00 O ATOM 0 H SER A 57 13.885 3.531 0.527 1.00 10.00 H new ATOM 0 HA SER A 57 12.119 3.213 2.744 1.00 10.00 H new ATOM 0 HB2 SER A 57 13.286 5.718 1.432 1.00 10.00 H new ATOM 0 HB3 SER A 57 12.566 5.651 3.028 1.00 10.00 H new ATOM 0 HG SER A 57 14.960 4.380 2.115 1.00 10.00 H new ATOM 926 N ALA A 58 10.912 4.702 0.058 1.00 10.00 N ATOM 927 CA ALA A 58 9.762 5.345 -0.555 1.00 10.00 C ATOM 928 C ALA A 58 8.577 4.396 -0.746 1.00 10.00 C ATOM 929 O ALA A 58 8.592 3.505 -1.593 1.00 10.00 O ATOM 930 CB ALA A 58 10.193 5.947 -1.886 1.00 10.00 C ATOM 0 H ALA A 58 11.705 4.608 -0.576 1.00 10.00 H new ATOM 0 HA ALA A 58 9.411 6.126 0.120 1.00 10.00 H new ATOM 0 HB1 ALA A 58 9.340 6.434 -2.359 1.00 10.00 H new ATOM 0 HB2 ALA A 58 10.981 6.681 -1.715 1.00 10.00 H new ATOM 0 HB3 ALA A 58 10.567 5.158 -2.538 1.00 10.00 H new ATOM 936 N ASN A 59 7.494 4.658 -0.013 1.00 10.00 N ATOM 937 CA ASN A 59 6.202 4.007 -0.202 1.00 10.00 C ATOM 938 C ASN A 59 5.599 4.262 -1.587 1.00 10.00 C ATOM 939 O ASN A 59 4.722 3.511 -2.015 1.00 10.00 O ATOM 940 CB ASN A 59 5.218 4.478 0.878 1.00 10.00 C ATOM 941 CG ASN A 59 5.115 6.001 0.943 1.00 10.00 C ATOM 942 OD1 ASN A 59 5.835 6.624 1.715 1.00 10.00 O ATOM 943 ND2 ASN A 59 4.271 6.632 0.132 1.00 10.00 N ATOM 0 H ASN A 59 7.493 5.343 0.743 1.00 10.00 H new ATOM 0 HA ASN A 59 6.376 2.934 -0.119 1.00 10.00 H new ATOM 0 HB2 ASN A 59 4.233 4.058 0.677 1.00 10.00 H new ATOM 0 HB3 ASN A 59 5.536 4.096 1.848 1.00 10.00 H new ATOM 0 HD21 ASN A 59 4.215 7.650 0.146 1.00 10.00 H new ATOM 0 HD22 ASN A 59 3.679 6.098 -0.504 1.00 10.00 H new ATOM 950 N SER A 60 5.985 5.339 -2.278 1.00 10.00 N ATOM 951 CA SER A 60 5.348 5.751 -3.522 1.00 10.00 C ATOM 952 C SER A 60 6.333 6.559 -4.368 1.00 10.00 C ATOM 953 O SER A 60 7.213 7.220 -3.822 1.00 10.00 O ATOM 954 CB SER A 60 4.076 6.547 -3.202 1.00 10.00 C ATOM 955 OG SER A 60 3.246 5.806 -2.322 1.00 10.00 O ATOM 0 H SER A 60 6.750 5.947 -1.986 1.00 10.00 H new ATOM 0 HA SER A 60 5.059 4.876 -4.105 1.00 10.00 H new ATOM 0 HB2 SER A 60 4.340 7.502 -2.748 1.00 10.00 H new ATOM 0 HB3 SER A 60 3.536 6.770 -4.122 1.00 10.00 H new ATOM 0 HG SER A 60 2.437 6.323 -2.122 1.00 10.00 H new ATOM 961 N ARG A 61 6.181 6.518 -5.695 1.00 10.00 N ATOM 962 CA ARG A 61 7.088 7.178 -6.629 1.00 10.00 C ATOM 963 C ARG A 61 7.251 8.666 -6.294 1.00 10.00 C ATOM 964 O ARG A 61 8.358 9.181 -6.166 1.00 10.00 O ATOM 965 CB ARG A 61 6.558 7.001 -8.054 1.00 10.00 C ATOM 966 CG ARG A 61 7.664 7.311 -9.061 1.00 10.00 C ATOM 967 CD ARG A 61 7.066 7.447 -10.457 1.00 10.00 C ATOM 968 NE ARG A 61 6.496 8.781 -10.687 1.00 10.00 N ATOM 969 CZ ARG A 61 5.486 9.074 -11.522 1.00 10.00 C ATOM 970 NH1 ARG A 61 4.721 8.123 -12.073 1.00 10.00 N ATOM 971 NH2 ARG A 61 5.256 10.355 -11.824 1.00 10.00 N ATOM 0 H ARG A 61 5.417 6.020 -6.152 1.00 10.00 H new ATOM 0 HA ARG A 61 8.073 6.718 -6.546 1.00 10.00 H new ATOM 0 HB2 ARG A 61 6.201 5.981 -8.195 1.00 10.00 H new ATOM 0 HB3 ARG A 61 5.707 7.662 -8.220 1.00 10.00 H new ATOM 0 HG2 ARG A 61 8.175 8.233 -8.782 1.00 10.00 H new ATOM 0 HG3 ARG A 61 8.411 6.517 -9.051 1.00 10.00 H new ATOM 0 HD2 ARG A 61 7.837 7.249 -11.202 1.00 10.00 H new ATOM 0 HD3 ARG A 61 6.290 6.693 -10.594 1.00 10.00 H new ATOM 0 HE ARG A 61 6.905 9.556 -10.165 1.00 10.00 H new ATOM 0 HH11 ARG A 61 4.898 7.141 -11.862 1.00 10.00 H new ATOM 0 HH12 ARG A 61 3.962 8.381 -12.703 1.00 10.00 H new ATOM 0 HH21 ARG A 61 5.842 11.087 -11.422 1.00 10.00 H new ATOM 0 HH22 ARG A 61 4.494 10.601 -12.456 1.00 10.00 H new ATOM 985 N ASP A 62 6.126 9.360 -6.138 1.00 10.00 N ATOM 986 CA ASP A 62 6.101 10.736 -5.656 1.00 10.00 C ATOM 987 C ASP A 62 6.982 10.924 -4.410 1.00 10.00 C ATOM 988 O ASP A 62 7.745 11.885 -4.337 1.00 10.00 O ATOM 989 CB ASP A 62 4.658 11.164 -5.381 1.00 10.00 C ATOM 990 CG ASP A 62 4.602 12.610 -4.898 1.00 10.00 C ATOM 991 OD1 ASP A 62 4.676 13.501 -5.771 1.00 10.00 O ATOM 992 OD2 ASP A 62 4.489 12.792 -3.667 1.00 10.00 O ATOM 0 H ASP A 62 5.202 8.980 -6.344 1.00 10.00 H new ATOM 0 HA ASP A 62 6.518 11.375 -6.434 1.00 10.00 H new ATOM 0 HB2 ASP A 62 4.063 11.056 -6.288 1.00 10.00 H new ATOM 0 HB3 ASP A 62 4.217 10.508 -4.630 1.00 10.00 H new ATOM 997 N GLU A 63 6.899 10.002 -3.442 1.00 10.00 N ATOM 998 CA GLU A 63 7.727 10.067 -2.245 1.00 10.00 C ATOM 999 C GLU A 63 9.197 9.909 -2.636 1.00 10.00 C ATOM 1000 O GLU A 63 10.030 10.703 -2.218 1.00 10.00 O ATOM 1001 CB GLU A 63 7.285 9.030 -1.194 1.00 10.00 C ATOM 1002 CG GLU A 63 7.996 9.205 0.157 1.00 10.00 C ATOM 1003 CD GLU A 63 7.823 10.603 0.745 1.00 10.00 C ATOM 1004 OE1 GLU A 63 6.655 10.974 0.995 1.00 10.00 O ATOM 1005 OE2 GLU A 63 8.858 11.281 0.919 1.00 10.00 O ATOM 0 H GLU A 63 6.264 9.204 -3.471 1.00 10.00 H new ATOM 0 HA GLU A 63 7.601 11.042 -1.775 1.00 10.00 H new ATOM 0 HB2 GLU A 63 6.208 9.108 -1.045 1.00 10.00 H new ATOM 0 HB3 GLU A 63 7.482 8.028 -1.575 1.00 10.00 H new ATOM 0 HG2 GLU A 63 7.610 8.470 0.863 1.00 10.00 H new ATOM 0 HG3 GLU A 63 9.059 8.999 0.031 1.00 10.00 H new ATOM 1012 N TYR A 64 9.509 8.902 -3.455 1.00 10.00 N ATOM 1013 CA TYR A 64 10.851 8.679 -3.985 1.00 10.00 C ATOM 1014 C TYR A 64 11.436 9.966 -4.582 1.00 10.00 C ATOM 1015 O TYR A 64 12.557 10.349 -4.252 1.00 10.00 O ATOM 1016 CB TYR A 64 10.823 7.499 -4.965 1.00 10.00 C ATOM 1017 CG TYR A 64 12.066 7.300 -5.799 1.00 10.00 C ATOM 1018 CD1 TYR A 64 13.205 6.704 -5.230 1.00 10.00 C ATOM 1019 CD2 TYR A 64 12.011 7.531 -7.185 1.00 10.00 C ATOM 1020 CE1 TYR A 64 14.260 6.276 -6.054 1.00 10.00 C ATOM 1021 CE2 TYR A 64 13.071 7.119 -8.005 1.00 10.00 C ATOM 1022 CZ TYR A 64 14.185 6.473 -7.444 1.00 10.00 C ATOM 1023 OH TYR A 64 15.173 6.017 -8.261 1.00 10.00 O ATOM 0 H TYR A 64 8.827 8.212 -3.771 1.00 10.00 H new ATOM 0 HA TYR A 64 11.529 8.408 -3.175 1.00 10.00 H new ATOM 0 HB2 TYR A 64 10.640 6.586 -4.398 1.00 10.00 H new ATOM 0 HB3 TYR A 64 9.976 7.631 -5.638 1.00 10.00 H new ATOM 0 HD1 TYR A 64 13.269 6.575 -4.160 1.00 10.00 H new ATOM 0 HD2 TYR A 64 11.153 8.025 -7.617 1.00 10.00 H new ATOM 0 HE1 TYR A 64 15.126 5.797 -5.621 1.00 10.00 H new ATOM 0 HE2 TYR A 64 13.031 7.299 -9.069 1.00 10.00 H new ATOM 0 HH TYR A 64 15.644 5.277 -7.824 1.00 10.00 H new ATOM 1033 N TYR A 65 10.677 10.669 -5.424 1.00 10.00 N ATOM 1034 CA TYR A 65 11.108 11.975 -5.909 1.00 10.00 C ATOM 1035 C TYR A 65 11.299 12.966 -4.758 1.00 10.00 C ATOM 1036 O TYR A 65 12.356 13.592 -4.655 1.00 10.00 O ATOM 1037 CB TYR A 65 10.129 12.508 -6.960 1.00 10.00 C ATOM 1038 CG TYR A 65 10.389 11.927 -8.333 1.00 10.00 C ATOM 1039 CD1 TYR A 65 11.505 12.372 -9.061 1.00 10.00 C ATOM 1040 CD2 TYR A 65 9.611 10.866 -8.826 1.00 10.00 C ATOM 1041 CE1 TYR A 65 11.835 11.777 -10.288 1.00 10.00 C ATOM 1042 CE2 TYR A 65 9.977 10.229 -10.023 1.00 10.00 C ATOM 1043 CZ TYR A 65 11.089 10.684 -10.752 1.00 10.00 C ATOM 1044 OH TYR A 65 11.421 10.086 -11.928 1.00 10.00 O ATOM 0 H TYR A 65 9.773 10.359 -5.779 1.00 10.00 H new ATOM 0 HA TYR A 65 12.080 11.855 -6.387 1.00 10.00 H new ATOM 0 HB2 TYR A 65 9.109 12.273 -6.656 1.00 10.00 H new ATOM 0 HB3 TYR A 65 10.206 13.594 -7.007 1.00 10.00 H new ATOM 0 HD1 TYR A 65 12.112 13.177 -8.674 1.00 10.00 H new ATOM 0 HD2 TYR A 65 8.734 10.541 -8.286 1.00 10.00 H new ATOM 0 HE1 TYR A 65 12.659 12.159 -10.872 1.00 10.00 H new ATOM 0 HE2 TYR A 65 9.403 9.388 -10.384 1.00 10.00 H new ATOM 0 HH TYR A 65 10.650 9.587 -12.271 1.00 10.00 H new ATOM 1054 N HIS A 66 10.281 13.119 -3.907 1.00 10.00 N ATOM 1055 CA HIS A 66 10.306 14.060 -2.796 1.00 10.00 C ATOM 1056 C HIS A 66 11.549 13.868 -1.925 1.00 10.00 C ATOM 1057 O HIS A 66 12.385 14.766 -1.852 1.00 10.00 O ATOM 1058 CB HIS A 66 9.019 13.962 -1.970 1.00 10.00 C ATOM 1059 CG HIS A 66 9.022 14.858 -0.756 1.00 10.00 C ATOM 1060 ND1 HIS A 66 9.739 16.049 -0.637 1.00 10.00 N ATOM 1061 CD2 HIS A 66 8.380 14.598 0.420 1.00 10.00 C ATOM 1062 CE1 HIS A 66 9.514 16.481 0.612 1.00 10.00 C ATOM 1063 NE2 HIS A 66 8.702 15.633 1.268 1.00 10.00 N ATOM 0 H HIS A 66 9.413 12.588 -3.974 1.00 10.00 H new ATOM 0 HA HIS A 66 10.360 15.066 -3.212 1.00 10.00 H new ATOM 0 HB2 HIS A 66 8.169 14.220 -2.602 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.877 12.929 -1.651 1.00 10.00 H new ATOM 0 HD2 HIS A 66 7.747 13.751 0.641 1.00 10.00 H new ATOM 0 HE1 HIS A 66 9.928 17.385 1.033 1.00 10.00 H new ATOM 0 HE2 HIS A 66 8.380 15.739 2.230 1.00 10.00 H new ATOM 1071 N LEU A 67 11.699 12.716 -1.261 1.00 10.00 N ATOM 1072 CA LEU A 67 12.817 12.539 -0.343 1.00 10.00 C ATOM 1073 C LEU A 67 14.181 12.609 -1.045 1.00 10.00 C ATOM 1074 O LEU A 67 15.142 13.064 -0.429 1.00 10.00 O ATOM 1075 CB LEU A 67 12.648 11.395 0.680 1.00 10.00 C ATOM 1076 CG LEU A 67 12.117 10.043 0.187 1.00 10.00 C ATOM 1077 CD1 LEU A 67 12.918 9.529 -1.000 1.00 10.00 C ATOM 1078 CD2 LEU A 67 12.174 9.005 1.313 1.00 10.00 C ATOM 0 H LEU A 67 11.074 11.914 -1.342 1.00 10.00 H new ATOM 0 HA LEU A 67 12.799 13.415 0.305 1.00 10.00 H new ATOM 0 HB2 LEU A 67 13.618 11.220 1.145 1.00 10.00 H new ATOM 0 HB3 LEU A 67 11.978 11.748 1.464 1.00 10.00 H new ATOM 0 HG LEU A 67 11.084 10.195 -0.126 1.00 10.00 H new ATOM 0 HD11 LEU A 67 12.514 8.569 -1.323 1.00 10.00 H new ATOM 0 HD12 LEU A 67 12.853 10.244 -1.820 1.00 10.00 H new ATOM 0 HD13 LEU A 67 13.961 9.404 -0.709 1.00 10.00 H new ATOM 0 HD21 LEU A 67 11.794 8.051 0.948 1.00 10.00 H new ATOM 0 HD22 LEU A 67 13.206 8.882 1.643 1.00 10.00 H new ATOM 0 HD23 LEU A 67 11.563 9.342 2.150 1.00 10.00 H new ATOM 1090 N LEU A 68 14.285 12.250 -2.333 1.00 10.00 N ATOM 1091 CA LEU A 68 15.514 12.497 -3.084 1.00 10.00 C ATOM 1092 C LEU A 68 15.784 13.997 -3.200 1.00 10.00 C ATOM 1093 O LEU A 68 16.835 14.470 -2.773 1.00 10.00 O ATOM 1094 CB LEU A 68 15.481 11.847 -4.478 1.00 10.00 C ATOM 1095 CG LEU A 68 15.772 10.340 -4.441 1.00 10.00 C ATOM 1096 CD1 LEU A 68 15.450 9.696 -5.792 1.00 10.00 C ATOM 1097 CD2 LEU A 68 17.253 10.052 -4.163 1.00 10.00 C ATOM 0 H LEU A 68 13.543 11.795 -2.865 1.00 10.00 H new ATOM 0 HA LEU A 68 16.329 12.034 -2.528 1.00 10.00 H new ATOM 0 HB2 LEU A 68 14.502 12.012 -4.927 1.00 10.00 H new ATOM 0 HB3 LEU A 68 16.213 12.338 -5.120 1.00 10.00 H new ATOM 0 HG LEU A 68 15.151 9.930 -3.644 1.00 10.00 H new ATOM 0 HD11 LEU A 68 15.663 8.628 -5.746 1.00 10.00 H new ATOM 0 HD12 LEU A 68 14.396 9.846 -6.025 1.00 10.00 H new ATOM 0 HD13 LEU A 68 16.062 10.155 -6.569 1.00 10.00 H new ATOM 0 HD21 LEU A 68 17.417 8.975 -4.145 1.00 10.00 H new ATOM 0 HD22 LEU A 68 17.864 10.499 -4.947 1.00 10.00 H new ATOM 0 HD23 LEU A 68 17.532 10.478 -3.199 1.00 10.00 H new ATOM 1109 N ALA A 69 14.850 14.758 -3.776 1.00 10.00 N ATOM 1110 CA ALA A 69 15.020 16.197 -3.939 1.00 10.00 C ATOM 1111 C ALA A 69 15.308 16.868 -2.591 1.00 10.00 C ATOM 1112 O ALA A 69 16.216 17.689 -2.484 1.00 10.00 O ATOM 1113 CB ALA A 69 13.778 16.780 -4.614 1.00 10.00 C ATOM 0 H ALA A 69 13.967 14.397 -4.137 1.00 10.00 H new ATOM 0 HA ALA A 69 15.881 16.392 -4.578 1.00 10.00 H new ATOM 0 HB1 ALA A 69 13.902 17.856 -4.737 1.00 10.00 H new ATOM 0 HB2 ALA A 69 13.643 16.316 -5.591 1.00 10.00 H new ATOM 0 HB3 ALA A 69 12.902 16.584 -3.996 1.00 10.00 H new ATOM 1119 N GLU A 70 14.562 16.491 -1.551 1.00 10.00 N ATOM 1120 CA GLU A 70 14.792 16.947 -0.193 1.00 10.00 C ATOM 1121 C GLU A 70 16.227 16.630 0.236 1.00 10.00 C ATOM 1122 O GLU A 70 16.924 17.515 0.718 1.00 10.00 O ATOM 1123 CB GLU A 70 13.759 16.295 0.734 1.00 10.00 C ATOM 1124 CG GLU A 70 13.851 16.763 2.191 1.00 10.00 C ATOM 1125 CD GLU A 70 13.628 18.264 2.340 1.00 10.00 C ATOM 1126 OE1 GLU A 70 12.458 18.679 2.195 1.00 10.00 O ATOM 1127 OE2 GLU A 70 14.630 18.966 2.598 1.00 10.00 O ATOM 0 H GLU A 70 13.772 15.851 -1.637 1.00 10.00 H new ATOM 0 HA GLU A 70 14.672 18.029 -0.134 1.00 10.00 H new ATOM 0 HB2 GLU A 70 12.759 16.509 0.356 1.00 10.00 H new ATOM 0 HB3 GLU A 70 13.887 15.213 0.701 1.00 10.00 H new ATOM 0 HG2 GLU A 70 13.112 16.229 2.788 1.00 10.00 H new ATOM 0 HG3 GLU A 70 14.831 16.504 2.591 1.00 10.00 H new ATOM 1134 N LYS A 71 16.680 15.383 0.068 1.00 10.00 N ATOM 1135 CA LYS A 71 18.036 14.987 0.417 1.00 10.00 C ATOM 1136 C LYS A 71 19.060 15.874 -0.298 1.00 10.00 C ATOM 1137 O LYS A 71 19.951 16.412 0.354 1.00 10.00 O ATOM 1138 CB LYS A 71 18.225 13.492 0.138 1.00 10.00 C ATOM 1139 CG LYS A 71 19.616 12.937 0.463 1.00 10.00 C ATOM 1140 CD LYS A 71 20.000 13.140 1.930 1.00 10.00 C ATOM 1141 CE LYS A 71 21.225 12.289 2.271 1.00 10.00 C ATOM 1142 NZ LYS A 71 21.722 12.567 3.630 1.00 10.00 N ATOM 0 H LYS A 71 16.113 14.626 -0.314 1.00 10.00 H new ATOM 0 HA LYS A 71 18.204 15.136 1.484 1.00 10.00 H new ATOM 0 HB2 LYS A 71 17.486 12.935 0.714 1.00 10.00 H new ATOM 0 HB3 LYS A 71 18.014 13.306 -0.915 1.00 10.00 H new ATOM 0 HG2 LYS A 71 19.643 11.873 0.228 1.00 10.00 H new ATOM 0 HG3 LYS A 71 20.355 13.423 -0.173 1.00 10.00 H new ATOM 0 HD2 LYS A 71 20.214 14.192 2.116 1.00 10.00 H new ATOM 0 HD3 LYS A 71 19.165 12.866 2.575 1.00 10.00 H new ATOM 0 HE2 LYS A 71 20.969 11.233 2.186 1.00 10.00 H new ATOM 0 HE3 LYS A 71 22.016 12.484 1.547 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 22.552 11.972 3.825 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 21.990 13.569 3.703 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 20.975 12.357 4.323 1.00 10.00 H new ATOM 1156 N ILE A 72 18.931 16.058 -1.618 1.00 10.00 N ATOM 1157 CA ILE A 72 19.791 16.982 -2.359 1.00 10.00 C ATOM 1158 C ILE A 72 19.779 18.348 -1.676 1.00 10.00 C ATOM 1159 O ILE A 72 20.834 18.936 -1.423 1.00 10.00 O ATOM 1160 CB ILE A 72 19.331 17.141 -3.819 1.00 10.00 C ATOM 1161 CG1 ILE A 72 19.377 15.818 -4.592 1.00 10.00 C ATOM 1162 CG2 ILE A 72 20.176 18.187 -4.558 1.00 10.00 C ATOM 1163 CD1 ILE A 72 18.698 15.961 -5.956 1.00 10.00 C ATOM 0 H ILE A 72 18.238 15.578 -2.193 1.00 10.00 H new ATOM 0 HA ILE A 72 20.800 16.569 -2.364 1.00 10.00 H new ATOM 0 HB ILE A 72 18.295 17.476 -3.775 1.00 10.00 H new ATOM 0 HG12 ILE A 72 20.413 15.507 -4.727 1.00 10.00 H new ATOM 0 HG13 ILE A 72 18.882 15.037 -4.015 1.00 10.00 H new ATOM 0 HG21 ILE A 72 19.827 18.276 -5.587 1.00 10.00 H new ATOM 0 HG22 ILE A 72 20.081 19.151 -4.058 1.00 10.00 H new ATOM 0 HG23 ILE A 72 21.221 17.878 -4.555 1.00 10.00 H new ATOM 0 HD11 ILE A 72 18.743 15.010 -6.486 1.00 10.00 H new ATOM 0 HD12 ILE A 72 17.656 16.249 -5.815 1.00 10.00 H new ATOM 0 HD13 ILE A 72 19.211 16.726 -6.539 1.00 10.00 H new ATOM 1175 N TYR A 73 18.577 18.868 -1.414 1.00 10.00 N ATOM 1176 CA TYR A 73 18.441 20.182 -0.821 1.00 10.00 C ATOM 1177 C TYR A 73 19.214 20.238 0.489 1.00 10.00 C ATOM 1178 O TYR A 73 20.017 21.141 0.677 1.00 10.00 O ATOM 1179 CB TYR A 73 16.975 20.591 -0.640 1.00 10.00 C ATOM 1180 CG TYR A 73 16.835 22.097 -0.719 1.00 10.00 C ATOM 1181 CD1 TYR A 73 16.644 22.654 -1.999 1.00 10.00 C ATOM 1182 CD2 TYR A 73 17.455 22.876 0.283 1.00 10.00 C ATOM 1183 CE1 TYR A 73 17.306 23.842 -2.341 1.00 10.00 C ATOM 1184 CE2 TYR A 73 18.074 24.088 -0.059 1.00 10.00 C ATOM 1185 CZ TYR A 73 18.105 24.502 -1.395 1.00 10.00 C ATOM 1186 OH TYR A 73 18.955 25.497 -1.778 1.00 10.00 O ATOM 0 H TYR A 73 17.694 18.395 -1.605 1.00 10.00 H new ATOM 0 HA TYR A 73 18.869 20.911 -1.509 1.00 10.00 H new ATOM 0 HB2 TYR A 73 16.362 20.121 -1.409 1.00 10.00 H new ATOM 0 HB3 TYR A 73 16.607 20.235 0.322 1.00 10.00 H new ATOM 0 HD1 TYR A 73 15.993 22.170 -2.711 1.00 10.00 H new ATOM 0 HD2 TYR A 73 17.453 22.540 1.309 1.00 10.00 H new ATOM 0 HE1 TYR A 73 17.201 24.250 -3.335 1.00 10.00 H new ATOM 0 HE2 TYR A 73 18.526 24.700 0.708 1.00 10.00 H new ATOM 0 HH TYR A 73 19.097 26.112 -1.029 1.00 10.00 H new ATOM 1196 N LYS A 74 19.000 19.264 1.374 1.00 10.00 N ATOM 1197 CA LYS A 74 19.742 19.160 2.622 1.00 10.00 C ATOM 1198 C LYS A 74 21.249 19.160 2.370 1.00 10.00 C ATOM 1199 O LYS A 74 21.959 19.927 3.013 1.00 10.00 O ATOM 1200 CB LYS A 74 19.324 17.928 3.431 1.00 10.00 C ATOM 1201 CG LYS A 74 17.896 18.076 3.975 1.00 10.00 C ATOM 1202 CD LYS A 74 17.522 16.938 4.934 1.00 10.00 C ATOM 1203 CE LYS A 74 18.286 17.030 6.263 1.00 10.00 C ATOM 1204 NZ LYS A 74 17.793 16.034 7.231 1.00 10.00 N ATOM 0 H LYS A 74 18.307 18.527 1.242 1.00 10.00 H new ATOM 0 HA LYS A 74 19.497 20.041 3.216 1.00 10.00 H new ATOM 0 HB2 LYS A 74 19.386 17.040 2.803 1.00 10.00 H new ATOM 0 HB3 LYS A 74 20.018 17.782 4.259 1.00 10.00 H new ATOM 0 HG2 LYS A 74 17.803 19.031 4.493 1.00 10.00 H new ATOM 0 HG3 LYS A 74 17.192 18.094 3.143 1.00 10.00 H new ATOM 0 HD2 LYS A 74 16.450 16.966 5.130 1.00 10.00 H new ATOM 0 HD3 LYS A 74 17.734 15.980 4.460 1.00 10.00 H new ATOM 0 HE2 LYS A 74 19.350 16.873 6.086 1.00 10.00 H new ATOM 0 HE3 LYS A 74 18.177 18.031 6.680 1.00 10.00 H new ATOM 0 HZ1 LYS A 74 18.327 16.119 8.119 1.00 10.00 H new ATOM 0 HZ2 LYS A 74 16.783 16.201 7.417 1.00 10.00 H new ATOM 0 HZ3 LYS A 74 17.920 15.078 6.841 1.00 10.00 H new ATOM 1218 N ILE A 75 21.747 18.329 1.447 1.00 10.00 N ATOM 1219 CA ILE A 75 23.166 18.317 1.102 1.00 10.00 C ATOM 1220 C ILE A 75 23.634 19.737 0.788 1.00 10.00 C ATOM 1221 O ILE A 75 24.564 20.209 1.433 1.00 10.00 O ATOM 1222 CB ILE A 75 23.471 17.324 -0.040 1.00 10.00 C ATOM 1223 CG1 ILE A 75 23.200 15.885 0.443 1.00 10.00 C ATOM 1224 CG2 ILE A 75 24.944 17.447 -0.465 1.00 10.00 C ATOM 1225 CD1 ILE A 75 23.231 14.858 -0.694 1.00 10.00 C ATOM 0 H ILE A 75 21.184 17.656 0.927 1.00 10.00 H new ATOM 0 HA ILE A 75 23.733 17.960 1.962 1.00 10.00 H new ATOM 0 HB ILE A 75 22.830 17.554 -0.891 1.00 10.00 H new ATOM 0 HG12 ILE A 75 23.943 15.613 1.192 1.00 10.00 H new ATOM 0 HG13 ILE A 75 22.227 15.849 0.932 1.00 10.00 H new ATOM 0 HG21 ILE A 75 25.150 16.743 -1.271 1.00 10.00 H new ATOM 0 HG22 ILE A 75 25.139 18.462 -0.811 1.00 10.00 H new ATOM 0 HG23 ILE A 75 25.588 17.224 0.386 1.00 10.00 H new ATOM 0 HD11 ILE A 75 23.034 13.864 -0.292 1.00 10.00 H new ATOM 0 HD12 ILE A 75 22.469 15.109 -1.432 1.00 10.00 H new ATOM 0 HD13 ILE A 75 24.213 14.869 -1.168 1.00 10.00 H new ATOM 1237 N GLN A 76 23.017 20.443 -0.163 1.00 10.00 N ATOM 1238 CA GLN A 76 23.496 21.791 -0.461 1.00 10.00 C ATOM 1239 C GLN A 76 23.291 22.746 0.723 1.00 10.00 C ATOM 1240 O GLN A 76 24.165 23.546 1.025 1.00 10.00 O ATOM 1241 CB GLN A 76 22.879 22.353 -1.748 1.00 10.00 C ATOM 1242 CG GLN A 76 23.331 21.636 -3.035 1.00 10.00 C ATOM 1243 CD GLN A 76 24.828 21.718 -3.377 1.00 10.00 C ATOM 1244 OE1 GLN A 76 25.654 22.311 -2.680 1.00 10.00 O ATOM 1245 NE2 GLN A 76 25.197 21.118 -4.503 1.00 10.00 N ATOM 0 H GLN A 76 22.222 20.122 -0.716 1.00 10.00 H new ATOM 0 HA GLN A 76 24.570 21.709 -0.630 1.00 10.00 H new ATOM 0 HB2 GLN A 76 21.793 22.291 -1.674 1.00 10.00 H new ATOM 0 HB3 GLN A 76 23.133 23.410 -1.827 1.00 10.00 H new ATOM 0 HG2 GLN A 76 23.057 20.584 -2.954 1.00 10.00 H new ATOM 0 HG3 GLN A 76 22.767 22.049 -3.871 1.00 10.00 H new ATOM 0 HE21 GLN A 76 24.505 20.630 -5.072 1.00 10.00 H new ATOM 0 HE22 GLN A 76 26.173 21.145 -4.799 1.00 10.00 H new ATOM 1254 N LYS A 77 22.162 22.688 1.418 1.00 10.00 N ATOM 1255 CA LYS A 77 21.886 23.578 2.538 1.00 10.00 C ATOM 1256 C LYS A 77 22.971 23.451 3.607 1.00 10.00 C ATOM 1257 O LYS A 77 23.495 24.447 4.100 1.00 10.00 O ATOM 1258 CB LYS A 77 20.495 23.250 3.095 1.00 10.00 C ATOM 1259 CG LYS A 77 19.926 24.288 4.070 1.00 10.00 C ATOM 1260 CD LYS A 77 19.159 25.455 3.428 1.00 10.00 C ATOM 1261 CE LYS A 77 20.014 26.349 2.518 1.00 10.00 C ATOM 1262 NZ LYS A 77 19.277 27.561 2.121 1.00 10.00 N ATOM 0 H LYS A 77 21.413 22.024 1.221 1.00 10.00 H new ATOM 0 HA LYS A 77 21.895 24.615 2.202 1.00 10.00 H new ATOM 0 HB2 LYS A 77 19.803 23.140 2.260 1.00 10.00 H new ATOM 0 HB3 LYS A 77 20.541 22.285 3.601 1.00 10.00 H new ATOM 0 HG2 LYS A 77 19.260 23.779 4.766 1.00 10.00 H new ATOM 0 HG3 LYS A 77 20.748 24.697 4.657 1.00 10.00 H new ATOM 0 HD2 LYS A 77 18.329 25.053 2.847 1.00 10.00 H new ATOM 0 HD3 LYS A 77 18.727 26.069 4.218 1.00 10.00 H new ATOM 0 HE2 LYS A 77 20.930 26.630 3.037 1.00 10.00 H new ATOM 0 HE3 LYS A 77 20.309 25.792 1.629 1.00 10.00 H new ATOM 0 HZ1 LYS A 77 19.878 28.147 1.507 1.00 10.00 H new ATOM 0 HZ2 LYS A 77 18.415 27.290 1.606 1.00 10.00 H new ATOM 0 HZ3 LYS A 77 19.017 28.103 2.970 1.00 10.00 H new ATOM 1276 N GLU A 78 23.290 22.208 3.955 1.00 10.00 N ATOM 1277 CA GLU A 78 24.296 21.870 4.945 1.00 10.00 C ATOM 1278 C GLU A 78 25.712 22.119 4.402 1.00 10.00 C ATOM 1279 O GLU A 78 26.467 22.926 4.937 1.00 10.00 O ATOM 1280 CB GLU A 78 24.110 20.402 5.367 1.00 10.00 C ATOM 1281 CG GLU A 78 22.789 20.148 6.111 1.00 10.00 C ATOM 1282 CD GLU A 78 22.707 20.900 7.435 1.00 10.00 C ATOM 1283 OE1 GLU A 78 23.415 20.474 8.373 1.00 10.00 O ATOM 1284 OE2 GLU A 78 21.937 21.884 7.487 1.00 10.00 O ATOM 0 H GLU A 78 22.842 21.390 3.543 1.00 10.00 H new ATOM 0 HA GLU A 78 24.173 22.511 5.818 1.00 10.00 H new ATOM 0 HB2 GLU A 78 24.148 19.768 4.481 1.00 10.00 H new ATOM 0 HB3 GLU A 78 24.942 20.106 6.006 1.00 10.00 H new ATOM 0 HG2 GLU A 78 21.955 20.447 5.476 1.00 10.00 H new ATOM 0 HG3 GLU A 78 22.681 19.079 6.297 1.00 10.00 H new ATOM 1490 N GLU B 89 14.349 31.594 -3.722 1.00 10.00 N ATOM 1491 CA GLU B 89 13.234 30.776 -4.193 1.00 10.00 C ATOM 1492 C GLU B 89 13.503 30.102 -5.544 1.00 10.00 C ATOM 1493 O GLU B 89 13.289 28.902 -5.703 1.00 10.00 O ATOM 1494 CB GLU B 89 11.933 31.597 -4.196 1.00 10.00 C ATOM 1495 CG GLU B 89 11.861 32.748 -5.216 1.00 10.00 C ATOM 1496 CD GLU B 89 13.041 33.710 -5.123 1.00 10.00 C ATOM 1497 OE1 GLU B 89 13.157 34.374 -4.071 1.00 10.00 O ATOM 1498 OE2 GLU B 89 13.861 33.686 -6.067 1.00 10.00 O ATOM 0 HA GLU B 89 13.117 29.953 -3.488 1.00 10.00 H new ATOM 0 HB2 GLU B 89 11.100 30.919 -4.384 1.00 10.00 H new ATOM 0 HB3 GLU B 89 11.787 32.013 -3.199 1.00 10.00 H new ATOM 0 HG2 GLU B 89 11.820 32.331 -6.222 1.00 10.00 H new ATOM 0 HG3 GLU B 89 10.935 33.303 -5.063 1.00 10.00 H new ATOM 1505 N LYS B 90 14.001 30.875 -6.509 1.00 10.00 N ATOM 1506 CA LYS B 90 14.364 30.373 -7.823 1.00 10.00 C ATOM 1507 C LYS B 90 15.389 29.246 -7.695 1.00 10.00 C ATOM 1508 O LYS B 90 15.247 28.201 -8.321 1.00 10.00 O ATOM 1509 CB LYS B 90 14.876 31.539 -8.683 1.00 10.00 C ATOM 1510 CG LYS B 90 15.251 31.087 -10.099 1.00 10.00 C ATOM 1511 CD LYS B 90 15.594 32.296 -10.976 1.00 10.00 C ATOM 1512 CE LYS B 90 16.068 31.831 -12.357 1.00 10.00 C ATOM 1513 NZ LYS B 90 16.362 32.974 -13.239 1.00 10.00 N ATOM 0 H LYS B 90 14.163 31.875 -6.394 1.00 10.00 H new ATOM 0 HA LYS B 90 13.491 29.948 -8.319 1.00 10.00 H new ATOM 0 HB2 LYS B 90 14.109 32.311 -8.740 1.00 10.00 H new ATOM 0 HB3 LYS B 90 15.746 31.988 -8.204 1.00 10.00 H new ATOM 0 HG2 LYS B 90 16.103 30.408 -10.057 1.00 10.00 H new ATOM 0 HG3 LYS B 90 14.423 30.533 -10.541 1.00 10.00 H new ATOM 0 HD2 LYS B 90 14.719 32.938 -11.081 1.00 10.00 H new ATOM 0 HD3 LYS B 90 16.372 32.892 -10.498 1.00 10.00 H new ATOM 0 HE2 LYS B 90 16.960 31.215 -12.248 1.00 10.00 H new ATOM 0 HE3 LYS B 90 15.302 31.205 -12.814 1.00 10.00 H new ATOM 0 HZ1 LYS B 90 16.680 32.625 -14.165 1.00 10.00 H new ATOM 0 HZ2 LYS B 90 15.503 33.548 -13.362 1.00 10.00 H new ATOM 0 HZ3 LYS B 90 17.110 33.557 -12.813 1.00 10.00 H new ATOM 1527 N ARG B 91 16.409 29.446 -6.861 1.00 10.00 N ATOM 1528 CA ARG B 91 17.450 28.456 -6.631 1.00 10.00 C ATOM 1529 C ARG B 91 16.841 27.217 -5.974 1.00 10.00 C ATOM 1530 O ARG B 91 17.138 26.097 -6.389 1.00 10.00 O ATOM 1531 CB ARG B 91 18.602 29.068 -5.814 1.00 10.00 C ATOM 1532 CG ARG B 91 19.803 28.120 -5.681 1.00 10.00 C ATOM 1533 CD ARG B 91 19.786 27.309 -4.378 1.00 10.00 C ATOM 1534 NE ARG B 91 20.813 26.255 -4.438 1.00 10.00 N ATOM 1535 CZ ARG B 91 21.753 26.015 -3.509 1.00 10.00 C ATOM 1536 NH1 ARG B 91 21.578 26.391 -2.238 1.00 10.00 N ATOM 1537 NH2 ARG B 91 22.880 25.394 -3.868 1.00 10.00 N ATOM 0 H ARG B 91 16.533 30.305 -6.325 1.00 10.00 H new ATOM 0 HA ARG B 91 17.882 28.139 -7.580 1.00 10.00 H new ATOM 0 HB2 ARG B 91 18.926 29.994 -6.288 1.00 10.00 H new ATOM 0 HB3 ARG B 91 18.239 29.329 -4.820 1.00 10.00 H new ATOM 0 HG2 ARG B 91 19.814 27.435 -6.529 1.00 10.00 H new ATOM 0 HG3 ARG B 91 20.724 28.701 -5.729 1.00 10.00 H new ATOM 0 HD2 ARG B 91 19.973 27.965 -3.527 1.00 10.00 H new ATOM 0 HD3 ARG B 91 18.802 26.864 -4.228 1.00 10.00 H new ATOM 0 HE ARG B 91 20.810 25.652 -5.261 1.00 10.00 H new ATOM 0 HH11 ARG B 91 20.720 26.868 -1.961 1.00 10.00 H new ATOM 0 HH12 ARG B 91 22.302 26.201 -1.546 1.00 10.00 H new ATOM 0 HH21 ARG B 91 23.018 25.108 -4.837 1.00 10.00 H new ATOM 0 HH22 ARG B 91 23.602 25.205 -3.173 1.00 10.00 H new ATOM 1551 N ILE B 92 15.983 27.418 -4.965 1.00 10.00 N ATOM 1552 CA ILE B 92 15.278 26.323 -4.306 1.00 10.00 C ATOM 1553 C ILE B 92 14.589 25.461 -5.362 1.00 10.00 C ATOM 1554 O ILE B 92 14.824 24.255 -5.467 1.00 10.00 O ATOM 1555 CB ILE B 92 14.274 26.827 -3.244 1.00 10.00 C ATOM 1556 CG1 ILE B 92 14.902 27.703 -2.144 1.00 10.00 C ATOM 1557 CG2 ILE B 92 13.527 25.646 -2.608 1.00 10.00 C ATOM 1558 CD1 ILE B 92 16.121 27.082 -1.462 1.00 10.00 C ATOM 0 H ILE B 92 15.763 28.340 -4.588 1.00 10.00 H new ATOM 0 HA ILE B 92 16.008 25.718 -3.767 1.00 10.00 H new ATOM 0 HB ILE B 92 13.578 27.469 -3.783 1.00 10.00 H new ATOM 0 HG12 ILE B 92 15.192 28.659 -2.579 1.00 10.00 H new ATOM 0 HG13 ILE B 92 14.146 27.913 -1.388 1.00 10.00 H new ATOM 0 HG21 ILE B 92 12.824 26.019 -1.863 1.00 10.00 H new ATOM 0 HG22 ILE B 92 12.983 25.102 -3.380 1.00 10.00 H new ATOM 0 HG23 ILE B 92 14.243 24.978 -2.129 1.00 10.00 H new ATOM 0 HD11 ILE B 92 16.500 27.765 -0.702 1.00 10.00 H new ATOM 0 HD12 ILE B 92 15.835 26.140 -0.994 1.00 10.00 H new ATOM 0 HD13 ILE B 92 16.898 26.898 -2.204 1.00 10.00 H new ATOM 1570 N LYS B 93 13.728 26.104 -6.147 1.00 10.00 N ATOM 1571 CA LYS B 93 12.888 25.424 -7.108 1.00 10.00 C ATOM 1572 C LYS B 93 13.717 24.808 -8.229 1.00 10.00 C ATOM 1573 O LYS B 93 13.418 23.694 -8.631 1.00 10.00 O ATOM 1574 CB LYS B 93 11.794 26.374 -7.595 1.00 10.00 C ATOM 1575 CG LYS B 93 10.834 26.691 -6.436 1.00 10.00 C ATOM 1576 CD LYS B 93 9.870 25.531 -6.118 1.00 10.00 C ATOM 1577 CE LYS B 93 10.142 24.848 -4.770 1.00 10.00 C ATOM 1578 NZ LYS B 93 9.932 25.759 -3.631 1.00 10.00 N ATOM 0 H LYS B 93 13.599 27.116 -6.128 1.00 10.00 H new ATOM 0 HA LYS B 93 12.387 24.582 -6.631 1.00 10.00 H new ATOM 0 HB2 LYS B 93 12.239 27.294 -7.974 1.00 10.00 H new ATOM 0 HB3 LYS B 93 11.246 25.921 -8.421 1.00 10.00 H new ATOM 0 HG2 LYS B 93 11.415 26.928 -5.545 1.00 10.00 H new ATOM 0 HG3 LYS B 93 10.254 27.580 -6.684 1.00 10.00 H new ATOM 0 HD2 LYS B 93 8.848 25.909 -6.123 1.00 10.00 H new ATOM 0 HD3 LYS B 93 9.938 24.787 -6.912 1.00 10.00 H new ATOM 0 HE2 LYS B 93 9.489 23.982 -4.665 1.00 10.00 H new ATOM 0 HE3 LYS B 93 11.167 24.478 -4.753 1.00 10.00 H new ATOM 0 HZ1 LYS B 93 9.859 25.206 -2.753 1.00 10.00 H new ATOM 0 HZ2 LYS B 93 10.734 26.417 -3.560 1.00 10.00 H new ATOM 0 HZ3 LYS B 93 9.054 26.298 -3.775 1.00 10.00 H new ATOM 1592 N GLU B 94 14.771 25.471 -8.711 1.00 10.00 N ATOM 1593 CA GLU B 94 15.674 24.875 -9.689 1.00 10.00 C ATOM 1594 C GLU B 94 16.320 23.603 -9.131 1.00 10.00 C ATOM 1595 O GLU B 94 16.238 22.546 -9.754 1.00 10.00 O ATOM 1596 CB GLU B 94 16.736 25.894 -10.119 1.00 10.00 C ATOM 1597 CG GLU B 94 16.137 26.936 -11.076 1.00 10.00 C ATOM 1598 CD GLU B 94 17.109 28.069 -11.391 1.00 10.00 C ATOM 1599 OE1 GLU B 94 17.849 28.472 -10.466 1.00 10.00 O ATOM 1600 OE2 GLU B 94 17.084 28.529 -12.553 1.00 10.00 O ATOM 0 H GLU B 94 15.017 26.422 -8.437 1.00 10.00 H new ATOM 0 HA GLU B 94 15.096 24.592 -10.569 1.00 10.00 H new ATOM 0 HB2 GLU B 94 17.144 26.393 -9.240 1.00 10.00 H new ATOM 0 HB3 GLU B 94 17.564 25.379 -10.607 1.00 10.00 H new ATOM 0 HG2 GLU B 94 15.843 26.445 -12.004 1.00 10.00 H new ATOM 0 HG3 GLU B 94 15.231 27.351 -10.634 1.00 10.00 H new ATOM 1607 N LEU B 95 16.971 23.696 -7.967 1.00 10.00 N ATOM 1608 CA LEU B 95 17.669 22.562 -7.368 1.00 10.00 C ATOM 1609 C LEU B 95 16.698 21.398 -7.137 1.00 10.00 C ATOM 1610 O LEU B 95 17.017 20.252 -7.446 1.00 10.00 O ATOM 1611 CB LEU B 95 18.381 23.028 -6.088 1.00 10.00 C ATOM 1612 CG LEU B 95 19.182 21.951 -5.329 1.00 10.00 C ATOM 1613 CD1 LEU B 95 20.160 21.193 -6.237 1.00 10.00 C ATOM 1614 CD2 LEU B 95 20.024 22.619 -4.238 1.00 10.00 C ATOM 0 H LEU B 95 17.027 24.555 -7.419 1.00 10.00 H new ATOM 0 HA LEU B 95 18.435 22.183 -8.045 1.00 10.00 H new ATOM 0 HB2 LEU B 95 19.059 23.840 -6.349 1.00 10.00 H new ATOM 0 HB3 LEU B 95 17.634 23.441 -5.411 1.00 10.00 H new ATOM 0 HG LEU B 95 18.452 21.251 -4.923 1.00 10.00 H new ATOM 0 HD11 LEU B 95 20.697 20.447 -5.651 1.00 10.00 H new ATOM 0 HD12 LEU B 95 19.606 20.698 -7.035 1.00 10.00 H new ATOM 0 HD13 LEU B 95 20.872 21.895 -6.671 1.00 10.00 H new ATOM 0 HD21 LEU B 95 20.591 21.859 -3.700 1.00 10.00 H new ATOM 0 HD22 LEU B 95 20.712 23.331 -4.694 1.00 10.00 H new ATOM 0 HD23 LEU B 95 19.369 23.143 -3.542 1.00 10.00 H new ATOM 1626 N GLU B 96 15.496 21.690 -6.631 1.00 10.00 N ATOM 1627 CA GLU B 96 14.453 20.686 -6.467 1.00 10.00 C ATOM 1628 C GLU B 96 14.038 20.093 -7.830 1.00 10.00 C ATOM 1629 O GLU B 96 14.072 18.877 -8.037 1.00 10.00 O ATOM 1630 CB GLU B 96 13.299 21.353 -5.702 1.00 10.00 C ATOM 1631 CG GLU B 96 12.032 20.496 -5.587 1.00 10.00 C ATOM 1632 CD GLU B 96 10.901 21.264 -4.908 1.00 10.00 C ATOM 1633 OE1 GLU B 96 11.165 21.833 -3.827 1.00 10.00 O ATOM 1634 OE2 GLU B 96 9.794 21.281 -5.489 1.00 10.00 O ATOM 0 H GLU B 96 15.224 22.625 -6.327 1.00 10.00 H new ATOM 0 HA GLU B 96 14.805 19.831 -5.890 1.00 10.00 H new ATOM 0 HB2 GLU B 96 13.643 21.606 -4.699 1.00 10.00 H new ATOM 0 HB3 GLU B 96 13.045 22.290 -6.198 1.00 10.00 H new ATOM 0 HG2 GLU B 96 11.714 20.179 -6.580 1.00 10.00 H new ATOM 0 HG3 GLU B 96 12.252 19.592 -5.019 1.00 10.00 H new ATOM 1641 N LEU B 97 13.630 20.959 -8.759 1.00 10.00 N ATOM 1642 CA LEU B 97 13.082 20.598 -10.063 1.00 10.00 C ATOM 1643 C LEU B 97 14.069 19.764 -10.873 1.00 10.00 C ATOM 1644 O LEU B 97 13.656 18.844 -11.575 1.00 10.00 O ATOM 1645 CB LEU B 97 12.671 21.866 -10.828 1.00 10.00 C ATOM 1646 CG LEU B 97 12.113 21.620 -12.241 1.00 10.00 C ATOM 1647 CD1 LEU B 97 10.866 20.726 -12.228 1.00 10.00 C ATOM 1648 CD2 LEU B 97 11.758 22.971 -12.872 1.00 10.00 C ATOM 0 H LEU B 97 13.675 21.968 -8.616 1.00 10.00 H new ATOM 0 HA LEU B 97 12.197 19.982 -9.904 1.00 10.00 H new ATOM 0 HB2 LEU B 97 11.919 22.397 -10.244 1.00 10.00 H new ATOM 0 HB3 LEU B 97 13.537 22.523 -10.905 1.00 10.00 H new ATOM 0 HG LEU B 97 12.879 21.104 -12.820 1.00 10.00 H new ATOM 0 HD11 LEU B 97 10.511 20.582 -13.248 1.00 10.00 H new ATOM 0 HD12 LEU B 97 11.116 19.759 -11.791 1.00 10.00 H new ATOM 0 HD13 LEU B 97 10.084 21.201 -11.635 1.00 10.00 H new ATOM 0 HD21 LEU B 97 11.361 22.811 -13.875 1.00 10.00 H new ATOM 0 HD22 LEU B 97 11.008 23.472 -12.260 1.00 10.00 H new ATOM 0 HD23 LEU B 97 12.652 23.591 -12.930 1.00 10.00 H new ATOM 1660 N LEU B 98 15.365 20.077 -10.793 1.00 10.00 N ATOM 1661 CA LEU B 98 16.415 19.344 -11.489 1.00 10.00 C ATOM 1662 C LEU B 98 16.216 17.834 -11.332 1.00 10.00 C ATOM 1663 O LEU B 98 16.207 17.102 -12.319 1.00 10.00 O ATOM 1664 CB LEU B 98 17.785 19.804 -10.967 1.00 10.00 C ATOM 1665 CG LEU B 98 18.983 19.056 -11.576 1.00 10.00 C ATOM 1666 CD1 LEU B 98 19.023 19.168 -13.105 1.00 10.00 C ATOM 1667 CD2 LEU B 98 20.276 19.638 -10.995 1.00 10.00 C ATOM 0 H LEU B 98 15.714 20.856 -10.235 1.00 10.00 H new ATOM 0 HA LEU B 98 16.367 19.557 -12.557 1.00 10.00 H new ATOM 0 HB2 LEU B 98 17.897 20.869 -11.168 1.00 10.00 H new ATOM 0 HB3 LEU B 98 17.808 19.680 -9.884 1.00 10.00 H new ATOM 0 HG LEU B 98 18.881 18.000 -11.326 1.00 10.00 H new ATOM 0 HD11 LEU B 98 19.887 18.624 -13.487 1.00 10.00 H new ATOM 0 HD12 LEU B 98 18.111 18.743 -13.525 1.00 10.00 H new ATOM 0 HD13 LEU B 98 19.100 20.217 -13.391 1.00 10.00 H new ATOM 0 HD21 LEU B 98 21.133 19.115 -11.419 1.00 10.00 H new ATOM 0 HD22 LEU B 98 20.340 20.698 -11.240 1.00 10.00 H new ATOM 0 HD23 LEU B 98 20.276 19.515 -9.912 1.00 10.00 H new ATOM 1679 N LEU B 99 16.007 17.371 -10.098 1.00 10.00 N ATOM 1680 CA LEU B 99 15.792 15.957 -9.826 1.00 10.00 C ATOM 1681 C LEU B 99 14.447 15.512 -10.411 1.00 10.00 C ATOM 1682 O LEU B 99 14.379 14.537 -11.159 1.00 10.00 O ATOM 1683 CB LEU B 99 15.898 15.728 -8.309 1.00 10.00 C ATOM 1684 CG LEU B 99 16.095 14.275 -7.835 1.00 10.00 C ATOM 1685 CD1 LEU B 99 14.848 13.409 -7.993 1.00 10.00 C ATOM 1686 CD2 LEU B 99 17.288 13.585 -8.506 1.00 10.00 C ATOM 0 H LEU B 99 15.983 17.964 -9.268 1.00 10.00 H new ATOM 0 HA LEU B 99 16.554 15.344 -10.308 1.00 10.00 H new ATOM 0 HB2 LEU B 99 16.730 16.323 -7.934 1.00 10.00 H new ATOM 0 HB3 LEU B 99 14.993 16.117 -7.843 1.00 10.00 H new ATOM 0 HG LEU B 99 16.304 14.369 -6.769 1.00 10.00 H new ATOM 0 HD11 LEU B 99 15.059 12.400 -7.640 1.00 10.00 H new ATOM 0 HD12 LEU B 99 14.033 13.835 -7.408 1.00 10.00 H new ATOM 0 HD13 LEU B 99 14.561 13.373 -9.044 1.00 10.00 H new ATOM 0 HD21 LEU B 99 17.376 12.565 -8.132 1.00 10.00 H new ATOM 0 HD22 LEU B 99 17.136 13.564 -9.585 1.00 10.00 H new ATOM 0 HD23 LEU B 99 18.201 14.135 -8.279 1.00 10.00 H new ATOM 1698 N MET B 100 13.372 16.233 -10.080 1.00 10.00 N ATOM 1699 CA MET B 100 12.011 15.880 -10.477 1.00 10.00 C ATOM 1700 C MET B 100 11.850 15.750 -11.997 1.00 10.00 C ATOM 1701 O MET B 100 11.094 14.907 -12.479 1.00 10.00 O ATOM 1702 CB MET B 100 11.026 16.900 -9.893 1.00 10.00 C ATOM 1703 CG MET B 100 10.994 16.837 -8.360 1.00 10.00 C ATOM 1704 SD MET B 100 9.863 18.015 -7.580 1.00 10.00 S ATOM 1705 CE MET B 100 10.009 17.487 -5.858 1.00 10.00 C ATOM 0 H MET B 100 13.425 17.086 -9.523 1.00 10.00 H new ATOM 0 HA MET B 100 11.790 14.893 -10.071 1.00 10.00 H new ATOM 0 HB2 MET B 100 11.309 17.904 -10.211 1.00 10.00 H new ATOM 0 HB3 MET B 100 10.028 16.710 -10.287 1.00 10.00 H new ATOM 0 HG2 MET B 100 10.713 15.828 -8.057 1.00 10.00 H new ATOM 0 HG3 MET B 100 12.001 17.015 -7.981 1.00 10.00 H new ATOM 0 HE1 MET B 100 9.372 18.111 -5.231 1.00 10.00 H new ATOM 0 HE2 MET B 100 9.698 16.446 -5.769 1.00 10.00 H new ATOM 0 HE3 MET B 100 11.045 17.585 -5.534 1.00 10.00 H new ATOM 1715 N SER B 101 12.546 16.597 -12.757 1.00 10.00 N ATOM 1716 CA SER B 101 12.400 16.695 -14.199 1.00 10.00 C ATOM 1717 C SER B 101 12.605 15.342 -14.895 1.00 10.00 C ATOM 1718 O SER B 101 11.803 14.976 -15.755 1.00 10.00 O ATOM 1719 CB SER B 101 13.353 17.771 -14.736 1.00 10.00 C ATOM 1720 OG SER B 101 14.704 17.388 -14.575 1.00 10.00 O ATOM 0 H SER B 101 13.237 17.243 -12.375 1.00 10.00 H new ATOM 0 HA SER B 101 11.376 16.991 -14.426 1.00 10.00 H new ATOM 0 HB2 SER B 101 13.147 17.949 -15.791 1.00 10.00 H new ATOM 0 HB3 SER B 101 13.175 18.711 -14.214 1.00 10.00 H new ATOM 0 HG SER B 101 14.932 17.387 -13.622 1.00 10.00 H new ATOM 1726 N THR B 102 13.663 14.620 -14.513 1.00 10.00 N ATOM 1727 CA THR B 102 14.194 13.418 -15.147 1.00 10.00 C ATOM 1728 C THR B 102 13.192 12.610 -15.977 1.00 10.00 C ATOM 1729 O THR B 102 13.315 12.555 -17.198 1.00 10.00 O ATOM 1730 CB THR B 102 14.891 12.549 -14.093 1.00 10.00 C ATOM 1731 OG1 THR B 102 15.683 13.373 -13.270 1.00 10.00 O ATOM 1732 CG2 THR B 102 15.806 11.525 -14.766 1.00 10.00 C ATOM 0 H THR B 102 14.208 14.883 -13.692 1.00 10.00 H new ATOM 0 HA THR B 102 14.915 13.764 -15.888 1.00 10.00 H new ATOM 0 HB THR B 102 14.131 12.030 -13.509 1.00 10.00 H new ATOM 0 HG1 THR B 102 15.157 13.665 -12.497 1.00 10.00 H new ATOM 0 HG21 THR B 102 16.293 10.916 -14.004 1.00 10.00 H new ATOM 0 HG22 THR B 102 15.215 10.884 -15.420 1.00 10.00 H new ATOM 0 HG23 THR B 102 16.563 12.044 -15.354 1.00 10.00 H new ATOM 1740 N GLU B 103 12.216 11.959 -15.338 1.00 10.00 N ATOM 1741 CA GLU B 103 11.295 11.074 -16.043 1.00 10.00 C ATOM 1742 C GLU B 103 10.577 11.793 -17.185 1.00 10.00 C ATOM 1743 O GLU B 103 10.380 11.226 -18.257 1.00 10.00 O ATOM 1744 CB GLU B 103 10.312 10.437 -15.056 1.00 10.00 C ATOM 1745 CG GLU B 103 9.463 11.441 -14.251 1.00 10.00 C ATOM 1746 CD GLU B 103 8.635 10.767 -13.158 1.00 10.00 C ATOM 1747 OE1 GLU B 103 8.887 9.567 -12.907 1.00 10.00 O ATOM 1748 OE2 GLU B 103 7.788 11.473 -12.568 1.00 10.00 O ATOM 0 H GLU B 103 12.046 12.030 -14.335 1.00 10.00 H new ATOM 0 HA GLU B 103 11.876 10.275 -16.503 1.00 10.00 H new ATOM 0 HB2 GLU B 103 9.643 9.776 -15.607 1.00 10.00 H new ATOM 0 HB3 GLU B 103 10.872 9.814 -14.358 1.00 10.00 H new ATOM 0 HG2 GLU B 103 10.119 12.185 -13.798 1.00 10.00 H new ATOM 0 HG3 GLU B 103 8.797 11.974 -14.930 1.00 10.00 H new ATOM 1755 N ASN B 104 10.208 13.051 -16.950 1.00 10.00 N ATOM 1756 CA ASN B 104 9.533 13.895 -17.923 1.00 10.00 C ATOM 1757 C ASN B 104 10.465 14.124 -19.105 1.00 10.00 C ATOM 1758 O ASN B 104 10.076 13.915 -20.253 1.00 10.00 O ATOM 1759 CB ASN B 104 9.078 15.226 -17.304 1.00 10.00 C ATOM 1760 CG ASN B 104 8.349 15.030 -15.977 1.00 10.00 C ATOM 1761 OD1 ASN B 104 7.133 14.885 -15.941 1.00 10.00 O ATOM 1762 ND2 ASN B 104 9.097 15.009 -14.876 1.00 10.00 N ATOM 0 H ASN B 104 10.375 13.518 -16.058 1.00 10.00 H new ATOM 0 HA ASN B 104 8.630 13.390 -18.265 1.00 10.00 H new ATOM 0 HB2 ASN B 104 9.946 15.867 -17.148 1.00 10.00 H new ATOM 0 HB3 ASN B 104 8.421 15.744 -18.003 1.00 10.00 H new ATOM 0 HD21 ASN B 104 8.660 14.869 -13.965 1.00 10.00 H new ATOM 0 HD22 ASN B 104 10.107 15.133 -14.943 1.00 10.00 H new