USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 828 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 29 TYR OH : rot -69:sc= -2.11 USER MOD Set 1.2: A 81 THR OG1 : rot 93:sc= 0.885 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= -0.0112 (180deg=-0.347) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.33 K(o=-0.33,f=-1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.165 K(o=-0.17,f=-2!) USER MOD Single : A 53 THR OG1 : rot -74:sc= 0.526 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -92:sc= -7.31! USER MOD Single : A 59 GLN : amide:sc= -0.549 K(o=-0.55,f=-1.7) USER MOD Single : A 63 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.1!) USER MOD Single : A 65 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.334 K(o=-0.33,f=-3.7!) USER MOD Single : A 70 THR OG1 : rot 71:sc= 0.562 USER MOD Single : A 72 SER OG : rot -150:sc= -0.939 USER MOD Single : A 77 SER OG : rot -94:sc= 0.491 USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -10.1! C(o=-10!,f=-10!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -1.52 USER MOD Single : A 89 HIS : no HD1:sc= -8.58! C(o=-8.6!,f=-10!) USER MOD Single : A 90 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.9!) USER MOD Single : A 95 LYS NZ :NH3+ 140:sc= 1.03 (180deg=0.237) USER MOD Single : A 97 THR OG1 : rot -132:sc= 0.677 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -101:sc= -0.159 (180deg=-1.33) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -6.599 6.389 -3.521 1.00 0.00 N ATOM 95 CA SER A 6 -6.409 6.008 -4.910 1.00 0.00 C ATOM 96 C SER A 6 -5.551 4.745 -4.994 1.00 0.00 C ATOM 97 O SER A 6 -4.569 4.705 -5.735 1.00 0.00 O ATOM 98 CB SER A 6 -5.763 7.143 -5.708 1.00 0.00 C ATOM 99 OG SER A 6 -6.733 7.951 -6.369 1.00 0.00 O ATOM 0 HA SER A 6 -7.387 5.804 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.169 7.765 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.078 6.724 -6.445 1.00 0.00 H new ATOM 0 HG SER A 6 -6.281 8.665 -6.866 1.00 0.00 H new ATOM 105 N VAL A 7 -5.951 3.744 -4.224 1.00 0.00 N ATOM 106 CA VAL A 7 -5.231 2.483 -4.201 1.00 0.00 C ATOM 107 C VAL A 7 -6.219 1.340 -3.957 1.00 0.00 C ATOM 108 O VAL A 7 -6.626 0.655 -4.893 1.00 0.00 O ATOM 109 CB VAL A 7 -4.111 2.537 -3.161 1.00 0.00 C ATOM 110 CG1 VAL A 7 -3.747 1.134 -2.673 1.00 0.00 C ATOM 111 CG2 VAL A 7 -2.882 3.261 -3.715 1.00 0.00 C ATOM 0 H VAL A 7 -6.765 3.781 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.753 2.300 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.477 3.105 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.948 1.202 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.622 0.668 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.411 0.531 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.101 3.285 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.515 2.734 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.153 4.281 -3.989 1.00 0.00 H new ATOM 121 N LEU A 8 -6.577 1.171 -2.692 1.00 0.00 N ATOM 122 CA LEU A 8 -7.510 0.124 -2.312 1.00 0.00 C ATOM 123 C LEU A 8 -8.856 0.754 -1.948 1.00 0.00 C ATOM 124 O LEU A 8 -8.901 1.847 -1.386 1.00 0.00 O ATOM 125 CB LEU A 8 -6.916 -0.745 -1.202 1.00 0.00 C ATOM 126 CG LEU A 8 -6.143 -1.983 -1.660 1.00 0.00 C ATOM 127 CD1 LEU A 8 -5.225 -1.652 -2.838 1.00 0.00 C ATOM 128 CD2 LEU A 8 -5.376 -2.614 -0.495 1.00 0.00 C ATOM 0 H LEU A 8 -6.238 1.742 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.690 -0.550 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.249 -0.126 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.726 -1.068 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.862 -2.723 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.687 -2.550 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.822 -1.285 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.510 -0.885 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.835 -3.492 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.668 -1.890 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.078 -2.910 0.285 1.00 0.00 H new ATOM 140 N SER A 9 -9.918 0.036 -2.282 1.00 0.00 N ATOM 141 CA SER A 9 -11.262 0.511 -1.996 1.00 0.00 C ATOM 142 C SER A 9 -11.492 0.551 -0.484 1.00 0.00 C ATOM 143 O SER A 9 -10.575 0.293 0.295 1.00 0.00 O ATOM 144 CB SER A 9 -12.313 -0.373 -2.670 1.00 0.00 C ATOM 145 OG SER A 9 -12.508 -0.024 -4.037 1.00 0.00 O ATOM 0 H SER A 9 -9.876 -0.871 -2.748 1.00 0.00 H new ATOM 0 HA SER A 9 -11.362 1.519 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.006 -1.417 -2.603 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.258 -0.284 -2.135 1.00 0.00 H new ATOM 0 HG SER A 9 -13.185 -0.613 -4.432 1.00 0.00 H new ATOM 151 N GLY A 10 -12.721 0.878 -0.113 1.00 0.00 N ATOM 152 CA GLY A 10 -13.084 0.957 1.292 1.00 0.00 C ATOM 153 C GLY A 10 -12.818 -0.373 2.000 1.00 0.00 C ATOM 154 O GLY A 10 -12.058 -0.423 2.967 1.00 0.00 O ATOM 0 H GLY A 10 -13.479 1.092 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.514 1.751 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.138 1.219 1.385 1.00 0.00 H new ATOM 158 N GLY A 11 -13.457 -1.417 1.494 1.00 0.00 N ATOM 159 CA GLY A 11 -13.298 -2.742 2.066 1.00 0.00 C ATOM 160 C GLY A 11 -11.884 -3.276 1.830 1.00 0.00 C ATOM 161 O GLY A 11 -11.306 -3.922 2.704 1.00 0.00 O ATOM 0 H GLY A 11 -14.087 -1.372 0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.503 -2.707 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.026 -3.422 1.624 1.00 0.00 H new ATOM 165 N GLU A 12 -11.368 -2.988 0.644 1.00 0.00 N ATOM 166 CA GLU A 12 -10.032 -3.431 0.282 1.00 0.00 C ATOM 167 C GLU A 12 -8.999 -2.839 1.242 1.00 0.00 C ATOM 168 O GLU A 12 -8.023 -3.501 1.594 1.00 0.00 O ATOM 169 CB GLU A 12 -9.708 -3.066 -1.168 1.00 0.00 C ATOM 170 CG GLU A 12 -9.847 -4.283 -2.084 1.00 0.00 C ATOM 171 CD GLU A 12 -10.029 -3.854 -3.541 1.00 0.00 C ATOM 172 OE1 GLU A 12 -11.200 -3.667 -3.936 1.00 0.00 O ATOM 173 OE2 GLU A 12 -8.992 -3.722 -4.228 1.00 0.00 O ATOM 0 H GLU A 12 -11.851 -2.454 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.995 -4.517 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.377 -2.274 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.693 -2.674 -1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.962 -4.913 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.700 -4.884 -1.769 1.00 0.00 H new ATOM 180 N LEU A 13 -9.245 -1.599 1.636 1.00 0.00 N ATOM 181 CA LEU A 13 -8.348 -0.910 2.548 1.00 0.00 C ATOM 182 C LEU A 13 -8.492 -1.509 3.949 1.00 0.00 C ATOM 183 O LEU A 13 -7.496 -1.774 4.619 1.00 0.00 O ATOM 184 CB LEU A 13 -8.587 0.600 2.497 1.00 0.00 C ATOM 185 CG LEU A 13 -7.428 1.479 2.968 1.00 0.00 C ATOM 186 CD1 LEU A 13 -7.037 1.147 4.409 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.237 1.374 2.012 1.00 0.00 C ATOM 0 H LEU A 13 -10.054 -1.053 1.340 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.311 -1.055 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.831 0.875 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.462 0.830 3.105 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.760 2.517 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.211 1.787 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.891 1.314 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.731 0.103 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.426 2.009 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.896 0.340 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.540 1.699 1.017 1.00 0.00 H new ATOM 199 N ASP A 14 -9.740 -1.705 4.348 1.00 0.00 N ATOM 200 CA ASP A 14 -10.027 -2.267 5.657 1.00 0.00 C ATOM 201 C ASP A 14 -9.336 -3.626 5.785 1.00 0.00 C ATOM 202 O ASP A 14 -8.903 -4.006 6.872 1.00 0.00 O ATOM 203 CB ASP A 14 -11.530 -2.481 5.846 1.00 0.00 C ATOM 204 CG ASP A 14 -12.073 -2.079 7.218 1.00 0.00 C ATOM 205 OD1 ASP A 14 -11.234 -1.853 8.117 1.00 0.00 O ATOM 206 OD2 ASP A 14 -13.315 -2.007 7.339 1.00 0.00 O ATOM 0 H ASP A 14 -10.564 -1.485 3.788 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.664 -1.569 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.061 -1.914 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.756 -3.534 5.677 1.00 0.00 H new ATOM 211 N LYS A 15 -9.254 -4.322 4.661 1.00 0.00 N ATOM 212 CA LYS A 15 -8.624 -5.630 4.634 1.00 0.00 C ATOM 213 C LYS A 15 -7.104 -5.458 4.585 1.00 0.00 C ATOM 214 O LYS A 15 -6.369 -6.203 5.231 1.00 0.00 O ATOM 215 CB LYS A 15 -9.184 -6.473 3.487 1.00 0.00 C ATOM 216 CG LYS A 15 -10.058 -7.611 4.018 1.00 0.00 C ATOM 217 CD LYS A 15 -10.443 -8.576 2.896 1.00 0.00 C ATOM 218 CE LYS A 15 -11.430 -9.633 3.396 1.00 0.00 C ATOM 219 NZ LYS A 15 -11.883 -10.490 2.278 1.00 0.00 N ATOM 0 H LYS A 15 -9.614 -4.004 3.761 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.855 -6.182 5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.770 -5.841 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.363 -6.884 2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.523 -8.151 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.959 -7.200 4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.887 -8.020 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.549 -9.063 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.957 -10.246 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.288 -9.147 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.552 -11.202 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.353 -9.903 1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.063 -10.968 1.853 1.00 0.00 H new ATOM 233 N TRP A 16 -6.678 -4.471 3.811 1.00 0.00 N ATOM 234 CA TRP A 16 -5.259 -4.191 3.669 1.00 0.00 C ATOM 235 C TRP A 16 -4.685 -3.937 5.064 1.00 0.00 C ATOM 236 O TRP A 16 -3.521 -4.239 5.326 1.00 0.00 O ATOM 237 CB TRP A 16 -5.023 -3.027 2.704 1.00 0.00 C ATOM 238 CG TRP A 16 -3.834 -2.140 3.078 1.00 0.00 C ATOM 239 CD1 TRP A 16 -3.803 -1.132 3.961 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.497 -2.223 2.541 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.548 -0.561 4.031 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.729 -1.245 3.140 1.00 0.00 C ATOM 243 CE3 TRP A 16 -1.955 -3.094 1.580 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.374 -1.047 2.846 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.601 -2.882 1.297 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.187 -1.904 1.891 1.00 0.00 C ATOM 0 H TRP A 16 -7.290 -3.855 3.276 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.740 -5.043 3.229 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.865 -3.426 1.702 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.923 -2.413 2.664 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.652 -0.808 4.544 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.272 0.219 4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.537 -3.866 1.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.207 -0.275 3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.135 -3.525 0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.227 -1.805 1.618 1.00 0.00 H new ATOM 257 N GLU A 17 -5.527 -3.383 5.924 1.00 0.00 N ATOM 258 CA GLU A 17 -5.118 -3.085 7.286 1.00 0.00 C ATOM 259 C GLU A 17 -5.378 -4.289 8.194 1.00 0.00 C ATOM 260 O GLU A 17 -5.618 -4.128 9.389 1.00 0.00 O ATOM 261 CB GLU A 17 -5.832 -1.837 7.812 1.00 0.00 C ATOM 262 CG GLU A 17 -5.566 -0.632 6.908 1.00 0.00 C ATOM 263 CD GLU A 17 -5.846 0.679 7.646 1.00 0.00 C ATOM 264 OE1 GLU A 17 -5.349 0.805 8.787 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.549 1.525 7.054 1.00 0.00 O ATOM 0 H GLU A 17 -6.491 -3.133 5.704 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.048 -2.879 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.904 -2.024 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.492 -1.619 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.530 -0.649 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.193 -0.694 6.019 1.00 0.00 H new ATOM 272 N LYS A 18 -5.320 -5.467 7.591 1.00 0.00 N ATOM 273 CA LYS A 18 -5.545 -6.697 8.331 1.00 0.00 C ATOM 274 C LYS A 18 -4.315 -7.598 8.201 1.00 0.00 C ATOM 275 O LYS A 18 -4.265 -8.675 8.792 1.00 0.00 O ATOM 276 CB LYS A 18 -6.846 -7.364 7.878 1.00 0.00 C ATOM 277 CG LYS A 18 -7.786 -7.592 9.063 1.00 0.00 C ATOM 278 CD LYS A 18 -7.656 -9.017 9.601 1.00 0.00 C ATOM 279 CE LYS A 18 -8.901 -9.843 9.273 1.00 0.00 C ATOM 280 NZ LYS A 18 -8.723 -10.566 7.995 1.00 0.00 N ATOM 0 H LYS A 18 -5.121 -5.596 6.599 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.675 -6.485 9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.339 -6.739 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.623 -8.317 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.558 -6.879 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.815 -7.408 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.775 -9.493 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.507 -8.990 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.094 -10.554 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.771 -9.190 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.578 -11.121 7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.561 -9.882 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.905 -11.204 8.068 1.00 0.00 H new ATOM 294 N ILE A 19 -3.354 -7.124 7.422 1.00 0.00 N ATOM 295 CA ILE A 19 -2.127 -7.873 7.207 1.00 0.00 C ATOM 296 C ILE A 19 -1.119 -7.516 8.300 1.00 0.00 C ATOM 297 O ILE A 19 -0.820 -6.343 8.516 1.00 0.00 O ATOM 298 CB ILE A 19 -1.602 -7.644 5.788 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.693 -7.912 4.749 1.00 0.00 C ATOM 300 CG2 ILE A 19 -0.346 -8.479 5.528 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.191 -6.606 4.127 1.00 0.00 C ATOM 0 H ILE A 19 -3.400 -6.231 6.932 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.315 -8.944 7.284 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.319 -6.596 5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.304 -8.566 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.526 -8.436 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.007 -8.298 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.431 -8.198 6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.581 -9.537 5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.966 -6.825 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.602 -5.965 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.361 -6.096 3.638 1.00 0.00 H new ATOM 313 N ARG A 20 -0.622 -8.551 8.963 1.00 0.00 N ATOM 314 CA ARG A 20 0.347 -8.363 10.029 1.00 0.00 C ATOM 315 C ARG A 20 1.760 -8.266 9.451 1.00 0.00 C ATOM 316 O ARG A 20 2.069 -8.907 8.448 1.00 0.00 O ATOM 317 CB ARG A 20 0.291 -9.515 11.034 1.00 0.00 C ATOM 318 CG ARG A 20 0.730 -10.829 10.386 1.00 0.00 C ATOM 319 CD ARG A 20 0.385 -12.023 11.279 1.00 0.00 C ATOM 320 NE ARG A 20 -0.174 -13.122 10.462 1.00 0.00 N ATOM 321 CZ ARG A 20 -0.351 -14.374 10.905 1.00 0.00 C ATOM 322 NH1 ARG A 20 -0.015 -14.692 12.163 1.00 0.00 N ATOM 323 NH2 ARG A 20 -0.864 -15.308 10.092 1.00 0.00 N ATOM 0 H ARG A 20 -0.873 -9.523 8.782 1.00 0.00 H new ATOM 0 HA ARG A 20 0.098 -7.435 10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.935 -9.292 11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.723 -9.617 11.420 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.243 -10.942 9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.804 -10.807 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.278 -12.366 11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.335 -11.722 12.040 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.442 -12.913 9.500 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.375 -13.981 12.782 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.149 -15.645 12.501 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.120 -15.066 9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.998 -16.261 10.430 1.00 0.00 H new ATOM 337 N LEU A 21 2.581 -7.462 10.110 1.00 0.00 N ATOM 338 CA LEU A 21 3.954 -7.273 9.674 1.00 0.00 C ATOM 339 C LEU A 21 4.773 -8.514 10.033 1.00 0.00 C ATOM 340 O LEU A 21 5.672 -8.906 9.290 1.00 0.00 O ATOM 341 CB LEU A 21 4.524 -5.973 10.245 1.00 0.00 C ATOM 342 CG LEU A 21 3.607 -4.751 10.175 1.00 0.00 C ATOM 343 CD1 LEU A 21 4.232 -3.554 10.896 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.244 -4.421 8.726 1.00 0.00 C ATOM 0 H LEU A 21 2.322 -6.934 10.943 1.00 0.00 H new ATOM 0 HA LEU A 21 3.998 -7.164 8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.790 -6.144 11.288 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.447 -5.740 9.714 1.00 0.00 H new ATOM 0 HG LEU A 21 2.679 -4.990 10.694 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.560 -2.699 10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.398 -3.806 11.943 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.184 -3.304 10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.591 -3.548 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.153 -4.209 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.729 -5.270 8.277 1.00 0.00 H new ATOM 356 N ARG A 22 4.433 -9.099 11.172 1.00 0.00 N ATOM 357 CA ARG A 22 5.125 -10.288 11.639 1.00 0.00 C ATOM 358 C ARG A 22 4.119 -11.385 11.990 1.00 0.00 C ATOM 359 O ARG A 22 2.972 -11.096 12.327 1.00 0.00 O ATOM 360 CB ARG A 22 5.982 -9.980 12.869 1.00 0.00 C ATOM 361 CG ARG A 22 7.383 -9.523 12.460 1.00 0.00 C ATOM 362 CD ARG A 22 8.441 -10.082 13.414 1.00 0.00 C ATOM 363 NE ARG A 22 9.759 -9.475 13.120 1.00 0.00 N ATOM 364 CZ ARG A 22 10.524 -9.809 12.072 1.00 0.00 C ATOM 365 NH1 ARG A 22 10.108 -10.748 11.211 1.00 0.00 N ATOM 366 NH2 ARG A 22 11.706 -9.204 11.885 1.00 0.00 N ATOM 0 H ARG A 22 3.687 -8.771 11.786 1.00 0.00 H new ATOM 0 HA ARG A 22 5.775 -10.630 10.834 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.502 -9.204 13.466 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.054 -10.867 13.498 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.595 -9.852 11.443 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.428 -8.434 12.458 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.158 -9.875 14.446 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.499 -11.166 13.311 1.00 0.00 H new ATOM 0 HE ARG A 22 10.107 -8.757 13.756 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.209 -11.208 11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.690 -11.002 10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.023 -8.490 12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.288 -9.458 11.087 1.00 0.00 H new ATOM 380 N PRO A 23 4.597 -12.656 11.897 1.00 0.00 N ATOM 381 CA PRO A 23 3.752 -13.798 12.201 1.00 0.00 C ATOM 382 C PRO A 23 3.552 -13.946 13.711 1.00 0.00 C ATOM 383 O PRO A 23 2.480 -14.345 14.163 1.00 0.00 O ATOM 384 CB PRO A 23 4.460 -14.988 11.575 1.00 0.00 C ATOM 385 CG PRO A 23 5.897 -14.547 11.349 1.00 0.00 C ATOM 386 CD PRO A 23 5.950 -13.036 11.502 1.00 0.00 C ATOM 0 HA PRO A 23 2.744 -13.695 11.799 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.417 -15.857 12.231 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.987 -15.274 10.636 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.561 -15.027 12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.235 -14.842 10.356 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.680 -12.740 12.255 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.240 -12.553 10.569 1.00 0.00 H new ATOM 394 N GLY A 24 4.602 -13.619 14.449 1.00 0.00 N ATOM 395 CA GLY A 24 4.556 -13.710 15.898 1.00 0.00 C ATOM 396 C GLY A 24 4.539 -12.320 16.536 1.00 0.00 C ATOM 397 O GLY A 24 4.494 -12.194 17.759 1.00 0.00 O ATOM 0 H GLY A 24 5.490 -13.290 14.070 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.668 -14.264 16.203 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.420 -14.268 16.258 1.00 0.00 H new ATOM 401 N GLY A 25 4.576 -11.311 15.678 1.00 0.00 N ATOM 402 CA GLY A 25 4.564 -9.934 16.143 1.00 0.00 C ATOM 403 C GLY A 25 3.133 -9.443 16.371 1.00 0.00 C ATOM 404 O GLY A 25 2.194 -10.237 16.372 1.00 0.00 O ATOM 0 H GLY A 25 4.614 -11.419 14.664 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.131 -9.855 17.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.059 -9.295 15.411 1.00 0.00 H new ATOM 408 N LYS A 26 3.012 -8.137 16.558 1.00 0.00 N ATOM 409 CA LYS A 26 1.712 -7.532 16.788 1.00 0.00 C ATOM 410 C LYS A 26 1.618 -6.222 16.002 1.00 0.00 C ATOM 411 O LYS A 26 1.220 -5.194 16.547 1.00 0.00 O ATOM 412 CB LYS A 26 1.453 -7.368 18.287 1.00 0.00 C ATOM 413 CG LYS A 26 2.408 -6.343 18.900 1.00 0.00 C ATOM 414 CD LYS A 26 2.864 -6.783 20.293 1.00 0.00 C ATOM 415 CE LYS A 26 3.522 -5.624 21.045 1.00 0.00 C ATOM 416 NZ LYS A 26 4.848 -5.316 20.465 1.00 0.00 N ATOM 0 H LYS A 26 3.793 -7.481 16.555 1.00 0.00 H new ATOM 0 HA LYS A 26 0.919 -8.184 16.421 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.422 -7.052 18.449 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.575 -8.328 18.788 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.276 -6.216 18.253 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.914 -5.373 18.964 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.009 -7.151 20.860 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.568 -7.611 20.205 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.883 -4.742 20.996 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.630 -5.881 22.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.281 -4.527 20.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.460 -6.154 20.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.737 -5.050 19.466 1.00 0.00 H new ATOM 430 N LYS A 27 1.992 -6.303 14.733 1.00 0.00 N ATOM 431 CA LYS A 27 1.955 -5.137 13.867 1.00 0.00 C ATOM 432 C LYS A 27 1.135 -5.461 12.617 1.00 0.00 C ATOM 433 O LYS A 27 1.090 -6.609 12.181 1.00 0.00 O ATOM 434 CB LYS A 27 3.373 -4.650 13.563 1.00 0.00 C ATOM 435 CG LYS A 27 4.225 -4.612 14.834 1.00 0.00 C ATOM 436 CD LYS A 27 5.711 -4.489 14.495 1.00 0.00 C ATOM 437 CE LYS A 27 6.443 -5.807 14.751 1.00 0.00 C ATOM 438 NZ LYS A 27 7.909 -5.604 14.705 1.00 0.00 N ATOM 0 H LYS A 27 2.322 -7.158 14.284 1.00 0.00 H new ATOM 0 HA LYS A 27 1.458 -4.306 14.368 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.838 -5.308 12.829 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.332 -3.656 13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.919 -3.770 15.456 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.055 -5.517 15.417 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.827 -4.202 13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.160 -3.697 15.095 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.156 -6.206 15.724 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.148 -6.544 14.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.390 -6.509 14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.180 -5.244 13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.187 -4.916 15.434 1.00 0.00 H new ATOM 452 N GLN A 28 0.506 -4.427 12.075 1.00 0.00 N ATOM 453 CA GLN A 28 -0.309 -4.588 10.884 1.00 0.00 C ATOM 454 C GLN A 28 -0.219 -3.338 10.006 1.00 0.00 C ATOM 455 O GLN A 28 0.254 -2.294 10.453 1.00 0.00 O ATOM 456 CB GLN A 28 -1.763 -4.896 11.252 1.00 0.00 C ATOM 457 CG GLN A 28 -1.884 -6.276 11.901 1.00 0.00 C ATOM 458 CD GLN A 28 -3.216 -6.419 12.639 1.00 0.00 C ATOM 459 OE1 GLN A 28 -3.413 -5.898 13.725 1.00 0.00 O ATOM 460 NE2 GLN A 28 -4.116 -7.155 11.994 1.00 0.00 N ATOM 0 H GLN A 28 0.545 -3.475 12.440 1.00 0.00 H new ATOM 0 HA GLN A 28 0.075 -5.435 10.316 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.138 -4.135 11.936 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.385 -4.855 10.358 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.802 -7.049 11.137 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.060 -6.428 12.598 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.887 -7.563 11.088 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.036 -7.312 12.406 1.00 0.00 H new ATOM 469 N TYR A 29 -0.679 -3.486 8.773 1.00 0.00 N ATOM 470 CA TYR A 29 -0.655 -2.382 7.828 1.00 0.00 C ATOM 471 C TYR A 29 -1.681 -1.314 8.208 1.00 0.00 C ATOM 472 O TYR A 29 -2.564 -1.559 9.029 1.00 0.00 O ATOM 473 CB TYR A 29 -1.037 -2.980 6.472 1.00 0.00 C ATOM 474 CG TYR A 29 0.120 -3.673 5.750 1.00 0.00 C ATOM 475 CD1 TYR A 29 1.160 -4.216 6.475 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.123 -3.756 4.372 1.00 0.00 C ATOM 477 CE1 TYR A 29 2.248 -4.870 5.796 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.211 -4.408 3.692 1.00 0.00 C ATOM 479 CZ TYR A 29 2.220 -4.934 4.438 1.00 0.00 C ATOM 480 OH TYR A 29 3.249 -5.550 3.796 1.00 0.00 O ATOM 0 H TYR A 29 -1.071 -4.353 8.406 1.00 0.00 H new ATOM 0 HA TYR A 29 0.327 -1.909 7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.844 -3.699 6.617 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.428 -2.187 5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.158 -4.151 7.553 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.692 -3.331 3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.068 -5.300 6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.226 -4.478 2.614 1.00 0.00 H new ATOM 0 HH TYR A 29 4.062 -5.010 3.888 1.00 0.00 H new ATOM 490 N LYS A 30 -1.533 -0.150 7.592 1.00 0.00 N ATOM 491 CA LYS A 30 -2.436 0.957 7.855 1.00 0.00 C ATOM 492 C LYS A 30 -2.162 2.083 6.856 1.00 0.00 C ATOM 493 O LYS A 30 -1.228 1.997 6.060 1.00 0.00 O ATOM 494 CB LYS A 30 -2.334 1.396 9.318 1.00 0.00 C ATOM 495 CG LYS A 30 -0.880 1.679 9.705 1.00 0.00 C ATOM 496 CD LYS A 30 -0.790 2.223 11.132 1.00 0.00 C ATOM 497 CE LYS A 30 -1.436 3.606 11.234 1.00 0.00 C ATOM 498 NZ LYS A 30 -2.773 3.509 11.860 1.00 0.00 N ATOM 0 H LYS A 30 -0.800 0.050 6.911 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.471 0.646 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.937 2.290 9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.741 0.618 9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.293 0.764 9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.448 2.398 9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.284 1.536 11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.255 2.282 11.437 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.800 4.268 11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.524 4.047 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.374 4.285 11.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.208 2.598 11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.678 3.576 12.893 1.00 0.00 H new ATOM 512 N LEU A 31 -2.993 3.112 6.930 1.00 0.00 N ATOM 513 CA LEU A 31 -2.852 4.252 6.041 1.00 0.00 C ATOM 514 C LEU A 31 -1.438 4.826 6.173 1.00 0.00 C ATOM 515 O LEU A 31 -0.974 5.550 5.295 1.00 0.00 O ATOM 516 CB LEU A 31 -3.957 5.277 6.305 1.00 0.00 C ATOM 517 CG LEU A 31 -4.656 5.844 5.066 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.675 6.632 4.197 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.358 4.735 4.279 1.00 0.00 C ATOM 0 H LEU A 31 -3.766 3.180 7.592 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.976 3.942 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.710 4.814 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.529 6.106 6.868 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.426 6.542 5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.196 7.024 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.261 7.459 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.867 5.975 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.847 5.163 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.624 3.995 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.104 4.255 4.913 1.00 0.00 H new ATOM 531 N LYS A 32 -0.796 4.478 7.279 1.00 0.00 N ATOM 532 CA LYS A 32 0.554 4.949 7.537 1.00 0.00 C ATOM 533 C LYS A 32 1.523 4.265 6.570 1.00 0.00 C ATOM 534 O LYS A 32 2.389 4.917 5.988 1.00 0.00 O ATOM 535 CB LYS A 32 0.917 4.752 9.011 1.00 0.00 C ATOM 536 CG LYS A 32 2.179 5.538 9.374 1.00 0.00 C ATOM 537 CD LYS A 32 2.101 6.068 10.807 1.00 0.00 C ATOM 538 CE LYS A 32 3.390 5.770 11.574 1.00 0.00 C ATOM 539 NZ LYS A 32 3.250 4.525 12.360 1.00 0.00 N ATOM 0 H LYS A 32 -1.185 3.877 8.005 1.00 0.00 H new ATOM 0 HA LYS A 32 0.624 6.021 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.088 5.077 9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.074 3.692 9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.054 4.897 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.306 6.370 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.924 7.143 10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.255 5.613 11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.222 5.674 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.625 6.602 12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.134 4.338 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.470 4.629 13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.047 3.731 11.720 1.00 0.00 H new ATOM 553 N HIS A 33 1.343 2.960 6.427 1.00 0.00 N ATOM 554 CA HIS A 33 2.189 2.180 5.539 1.00 0.00 C ATOM 555 C HIS A 33 1.866 2.528 4.085 1.00 0.00 C ATOM 556 O HIS A 33 2.756 2.552 3.236 1.00 0.00 O ATOM 557 CB HIS A 33 2.056 0.685 5.835 1.00 0.00 C ATOM 558 CG HIS A 33 2.810 0.232 7.063 1.00 0.00 C ATOM 559 ND1 HIS A 33 2.178 -0.180 8.222 1.00 0.00 N ATOM 560 CD2 HIS A 33 4.150 0.131 7.299 1.00 0.00 C ATOM 561 CE1 HIS A 33 3.104 -0.512 9.110 1.00 0.00 C ATOM 562 NE2 HIS A 33 4.326 -0.318 8.535 1.00 0.00 N ATOM 0 H HIS A 33 0.624 2.423 6.911 1.00 0.00 H new ATOM 0 HA HIS A 33 3.235 2.433 5.713 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.001 0.442 5.959 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.413 0.121 4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.935 0.375 6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.923 -0.872 10.112 1.00 0.00 H new ATOM 0 HE2 HIS A 33 5.227 -0.490 8.982 1.00 0.00 H new ATOM 571 N ILE A 34 0.590 2.788 3.842 1.00 0.00 N ATOM 572 CA ILE A 34 0.138 3.133 2.505 1.00 0.00 C ATOM 573 C ILE A 34 0.797 4.443 2.071 1.00 0.00 C ATOM 574 O ILE A 34 1.294 4.552 0.951 1.00 0.00 O ATOM 575 CB ILE A 34 -1.390 3.165 2.448 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.972 1.751 2.499 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.878 3.940 1.222 1.00 0.00 C ATOM 578 CD1 ILE A 34 -2.173 1.189 1.091 1.00 0.00 C ATOM 0 H ILE A 34 -0.145 2.767 4.549 1.00 0.00 H new ATOM 0 HA ILE A 34 0.445 2.369 1.790 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.752 3.694 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.304 1.099 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.925 1.765 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.968 3.947 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.509 4.965 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.505 3.461 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.588 0.183 1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.860 1.829 0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.214 1.153 0.573 1.00 0.00 H new ATOM 590 N VAL A 35 0.780 5.407 2.980 1.00 0.00 N ATOM 591 CA VAL A 35 1.370 6.706 2.705 1.00 0.00 C ATOM 592 C VAL A 35 2.891 6.562 2.614 1.00 0.00 C ATOM 593 O VAL A 35 3.539 7.262 1.838 1.00 0.00 O ATOM 594 CB VAL A 35 0.928 7.717 3.765 1.00 0.00 C ATOM 595 CG1 VAL A 35 1.917 8.880 3.861 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.488 8.223 3.483 1.00 0.00 C ATOM 0 H VAL A 35 0.367 5.314 3.908 1.00 0.00 H new ATOM 0 HA VAL A 35 1.021 7.088 1.745 1.00 0.00 H new ATOM 0 HB VAL A 35 0.916 7.208 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.579 9.584 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.902 8.499 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.976 9.388 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.778 8.940 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.514 8.707 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.183 7.383 3.490 1.00 0.00 H new ATOM 606 N TRP A 36 3.416 5.649 3.420 1.00 0.00 N ATOM 607 CA TRP A 36 4.847 5.404 3.439 1.00 0.00 C ATOM 608 C TRP A 36 5.256 4.871 2.064 1.00 0.00 C ATOM 609 O TRP A 36 6.212 5.359 1.463 1.00 0.00 O ATOM 610 CB TRP A 36 5.227 4.462 4.583 1.00 0.00 C ATOM 611 CG TRP A 36 6.666 3.946 4.514 1.00 0.00 C ATOM 612 CD1 TRP A 36 7.801 4.654 4.598 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.080 2.575 4.342 1.00 0.00 C ATOM 614 NE1 TRP A 36 8.911 3.842 4.494 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.459 2.538 4.332 1.00 0.00 C ATOM 616 CE3 TRP A 36 6.315 1.404 4.198 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.194 1.355 4.183 1.00 0.00 C ATOM 618 CZ3 TRP A 36 7.063 0.231 4.050 1.00 0.00 C ATOM 619 CH2 TRP A 36 8.452 0.176 4.038 1.00 0.00 C ATOM 0 H TRP A 36 2.875 5.071 4.064 1.00 0.00 H new ATOM 0 HA TRP A 36 5.393 6.328 3.629 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.083 4.982 5.530 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.546 3.611 4.580 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.841 5.725 4.730 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.885 4.143 4.529 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.235 1.410 4.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.274 1.352 4.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.523 -0.698 3.937 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.957 -0.771 3.917 1.00 0.00 H new ATOM 630 N ALA A 37 4.510 3.876 1.606 1.00 0.00 N ATOM 631 CA ALA A 37 4.783 3.270 0.313 1.00 0.00 C ATOM 632 C ALA A 37 4.561 4.310 -0.788 1.00 0.00 C ATOM 633 O ALA A 37 5.366 4.422 -1.711 1.00 0.00 O ATOM 634 CB ALA A 37 3.900 2.033 0.134 1.00 0.00 C ATOM 0 H ALA A 37 3.717 3.474 2.107 1.00 0.00 H new ATOM 0 HA ALA A 37 5.821 2.942 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.104 1.578 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.116 1.315 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.851 2.324 0.185 1.00 0.00 H new ATOM 640 N SER A 38 3.466 5.044 -0.654 1.00 0.00 N ATOM 641 CA SER A 38 3.130 6.069 -1.626 1.00 0.00 C ATOM 642 C SER A 38 4.276 7.075 -1.743 1.00 0.00 C ATOM 643 O SER A 38 4.654 7.465 -2.848 1.00 0.00 O ATOM 644 CB SER A 38 1.833 6.785 -1.243 1.00 0.00 C ATOM 645 OG SER A 38 2.045 8.171 -0.981 1.00 0.00 O ATOM 0 H SER A 38 2.801 4.949 0.113 1.00 0.00 H new ATOM 0 HA SER A 38 2.977 5.588 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.107 6.675 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.404 6.311 -0.360 1.00 0.00 H new ATOM 0 HG SER A 38 1.193 8.593 -0.742 1.00 0.00 H new ATOM 651 N ARG A 39 4.799 7.467 -0.591 1.00 0.00 N ATOM 652 CA ARG A 39 5.895 8.420 -0.551 1.00 0.00 C ATOM 653 C ARG A 39 7.129 7.837 -1.241 1.00 0.00 C ATOM 654 O ARG A 39 7.805 8.530 -2.002 1.00 0.00 O ATOM 655 CB ARG A 39 6.252 8.789 0.890 1.00 0.00 C ATOM 656 CG ARG A 39 5.490 10.037 1.341 1.00 0.00 C ATOM 657 CD ARG A 39 6.351 11.292 1.186 1.00 0.00 C ATOM 658 NE ARG A 39 5.637 12.467 1.733 1.00 0.00 N ATOM 659 CZ ARG A 39 5.480 12.709 3.041 1.00 0.00 C ATOM 660 NH1 ARG A 39 5.986 11.860 3.946 1.00 0.00 N ATOM 661 NH2 ARG A 39 4.816 13.800 3.446 1.00 0.00 N ATOM 0 H ARG A 39 4.484 7.142 0.323 1.00 0.00 H new ATOM 0 HA ARG A 39 5.572 9.320 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.016 7.956 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.325 8.965 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.578 10.143 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.187 9.926 2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.300 11.158 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.584 11.455 0.134 1.00 0.00 H new ATOM 0 HE ARG A 39 5.239 13.135 1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.491 11.029 3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.866 12.045 4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.430 14.447 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.697 13.984 4.442 1.00 0.00 H new ATOM 675 N GLU A 40 7.387 6.570 -0.954 1.00 0.00 N ATOM 676 CA GLU A 40 8.529 5.887 -1.536 1.00 0.00 C ATOM 677 C GLU A 40 8.455 5.939 -3.064 1.00 0.00 C ATOM 678 O GLU A 40 9.426 6.306 -3.724 1.00 0.00 O ATOM 679 CB GLU A 40 8.615 4.442 -1.040 1.00 0.00 C ATOM 680 CG GLU A 40 10.072 3.983 -0.939 1.00 0.00 C ATOM 681 CD GLU A 40 10.440 3.644 0.507 1.00 0.00 C ATOM 682 OE1 GLU A 40 10.291 4.547 1.358 1.00 0.00 O ATOM 683 OE2 GLU A 40 10.862 2.489 0.728 1.00 0.00 O ATOM 0 H GLU A 40 6.824 5.998 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 40 9.436 6.400 -1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.135 4.359 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.070 3.787 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.227 3.109 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.731 4.767 -1.312 1.00 0.00 H new ATOM 690 N LEU A 41 7.294 5.565 -3.582 1.00 0.00 N ATOM 691 CA LEU A 41 7.080 5.565 -5.019 1.00 0.00 C ATOM 692 C LEU A 41 7.301 6.978 -5.563 1.00 0.00 C ATOM 693 O LEU A 41 8.051 7.168 -6.518 1.00 0.00 O ATOM 694 CB LEU A 41 5.705 4.984 -5.355 1.00 0.00 C ATOM 695 CG LEU A 41 5.601 3.458 -5.347 1.00 0.00 C ATOM 696 CD1 LEU A 41 5.022 2.955 -4.023 1.00 0.00 C ATOM 697 CD2 LEU A 41 4.802 2.955 -6.551 1.00 0.00 C ATOM 0 H LEU A 41 6.491 5.260 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 41 7.804 4.917 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.981 5.381 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.412 5.343 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 41 6.607 3.047 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.959 1.867 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.668 3.265 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.026 3.374 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.744 1.867 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.796 3.373 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.296 3.266 -7.471 1.00 0.00 H new ATOM 709 N GLU A 42 6.634 7.932 -4.931 1.00 0.00 N ATOM 710 CA GLU A 42 6.748 9.321 -5.341 1.00 0.00 C ATOM 711 C GLU A 42 8.211 9.767 -5.306 1.00 0.00 C ATOM 712 O GLU A 42 8.632 10.592 -6.115 1.00 0.00 O ATOM 713 CB GLU A 42 5.879 10.224 -4.463 1.00 0.00 C ATOM 714 CG GLU A 42 4.464 10.345 -5.031 1.00 0.00 C ATOM 715 CD GLU A 42 3.964 11.789 -4.957 1.00 0.00 C ATOM 716 OE1 GLU A 42 4.780 12.688 -5.250 1.00 0.00 O ATOM 717 OE2 GLU A 42 2.776 11.961 -4.609 1.00 0.00 O ATOM 0 H GLU A 42 6.013 7.771 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 42 6.387 9.408 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.835 9.820 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.332 11.213 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.454 10.006 -6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.789 9.694 -4.476 1.00 0.00 H new ATOM 724 N ARG A 43 8.946 9.199 -4.361 1.00 0.00 N ATOM 725 CA ARG A 43 10.354 9.528 -4.211 1.00 0.00 C ATOM 726 C ARG A 43 11.190 8.767 -5.242 1.00 0.00 C ATOM 727 O ARG A 43 12.295 9.185 -5.581 1.00 0.00 O ATOM 728 CB ARG A 43 10.852 9.184 -2.806 1.00 0.00 C ATOM 729 CG ARG A 43 10.589 10.335 -1.833 1.00 0.00 C ATOM 730 CD ARG A 43 11.233 10.061 -0.472 1.00 0.00 C ATOM 731 NE ARG A 43 11.068 11.236 0.411 1.00 0.00 N ATOM 732 CZ ARG A 43 11.814 12.347 0.330 1.00 0.00 C ATOM 733 NH1 ARG A 43 12.779 12.440 -0.594 1.00 0.00 N ATOM 734 NH2 ARG A 43 11.594 13.364 1.173 1.00 0.00 N ATOM 0 H ARG A 43 8.594 8.514 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 43 10.463 10.601 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.354 8.282 -2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.920 8.967 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.985 11.263 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.515 10.473 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.775 9.184 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.292 9.838 -0.600 1.00 0.00 H new ATOM 0 HE ARG A 43 10.342 11.199 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.946 11.665 -1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.346 13.285 -0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.859 13.293 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.162 14.209 1.111 1.00 0.00 H new ATOM 748 N PHE A 44 10.629 7.663 -5.712 1.00 0.00 N ATOM 749 CA PHE A 44 11.308 6.839 -6.698 1.00 0.00 C ATOM 750 C PHE A 44 11.059 7.361 -8.115 1.00 0.00 C ATOM 751 O PHE A 44 11.364 6.681 -9.093 1.00 0.00 O ATOM 752 CB PHE A 44 10.729 5.428 -6.577 1.00 0.00 C ATOM 753 CG PHE A 44 11.653 4.434 -5.869 1.00 0.00 C ATOM 754 CD1 PHE A 44 11.872 4.545 -4.531 1.00 0.00 C ATOM 755 CD2 PHE A 44 12.253 3.441 -6.577 1.00 0.00 C ATOM 756 CE1 PHE A 44 12.728 3.624 -3.874 1.00 0.00 C ATOM 757 CE2 PHE A 44 13.110 2.519 -5.919 1.00 0.00 C ATOM 758 CZ PHE A 44 13.330 2.630 -4.581 1.00 0.00 C ATOM 0 H PHE A 44 9.711 7.319 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 44 12.383 6.854 -6.519 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.784 5.479 -6.035 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.504 5.052 -7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.394 5.334 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.078 3.353 -7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.902 3.712 -2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.587 1.730 -6.481 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.982 1.929 -4.081 1.00 0.00 H new ATOM 768 N ALA A 45 10.506 8.563 -8.178 1.00 0.00 N ATOM 769 CA ALA A 45 10.212 9.184 -9.459 1.00 0.00 C ATOM 770 C ALA A 45 9.115 8.387 -10.167 1.00 0.00 C ATOM 771 O ALA A 45 9.124 8.264 -11.391 1.00 0.00 O ATOM 772 CB ALA A 45 11.494 9.277 -10.288 1.00 0.00 C ATOM 0 H ALA A 45 10.254 9.123 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 45 9.842 10.200 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.273 9.743 -11.248 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.230 9.878 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.894 8.277 -10.453 1.00 0.00 H new ATOM 778 N VAL A 46 8.195 7.866 -9.368 1.00 0.00 N ATOM 779 CA VAL A 46 7.095 7.085 -9.903 1.00 0.00 C ATOM 780 C VAL A 46 5.770 7.689 -9.433 1.00 0.00 C ATOM 781 O VAL A 46 5.700 8.278 -8.356 1.00 0.00 O ATOM 782 CB VAL A 46 7.255 5.615 -9.507 1.00 0.00 C ATOM 783 CG1 VAL A 46 6.398 4.712 -10.397 1.00 0.00 C ATOM 784 CG2 VAL A 46 8.725 5.193 -9.552 1.00 0.00 C ATOM 0 H VAL A 46 8.190 7.970 -8.353 1.00 0.00 H new ATOM 0 HA VAL A 46 7.099 7.117 -10.993 1.00 0.00 H new ATOM 0 HB VAL A 46 6.905 5.504 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.530 3.673 -10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.349 4.990 -10.294 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.704 4.829 -11.437 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.811 4.145 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.111 5.327 -10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.301 5.806 -8.859 1.00 0.00 H new ATOM 794 N ASN A 47 4.752 7.522 -10.264 1.00 0.00 N ATOM 795 CA ASN A 47 3.433 8.043 -9.947 1.00 0.00 C ATOM 796 C ASN A 47 2.777 7.151 -8.891 1.00 0.00 C ATOM 797 O ASN A 47 2.870 5.927 -8.962 1.00 0.00 O ATOM 798 CB ASN A 47 2.533 8.052 -11.184 1.00 0.00 C ATOM 799 CG ASN A 47 2.333 9.476 -11.707 1.00 0.00 C ATOM 800 OD1 ASN A 47 3.027 10.406 -11.330 1.00 0.00 O ATOM 801 ND2 ASN A 47 1.347 9.595 -12.591 1.00 0.00 N ATOM 0 H ASN A 47 4.814 7.033 -11.157 1.00 0.00 H new ATOM 0 HA ASN A 47 3.552 9.062 -9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.976 7.433 -11.964 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.567 7.612 -10.938 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.133 10.506 -12.997 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.804 8.775 -12.863 1.00 0.00 H new ATOM 808 N PRO A 48 2.111 7.817 -7.910 1.00 0.00 N ATOM 809 CA PRO A 48 1.440 7.098 -6.841 1.00 0.00 C ATOM 810 C PRO A 48 0.140 6.463 -7.338 1.00 0.00 C ATOM 811 O PRO A 48 -0.185 5.335 -6.968 1.00 0.00 O ATOM 812 CB PRO A 48 1.214 8.134 -5.751 1.00 0.00 C ATOM 813 CG PRO A 48 1.346 9.488 -6.429 1.00 0.00 C ATOM 814 CD PRO A 48 1.980 9.266 -7.793 1.00 0.00 C ATOM 0 HA PRO A 48 2.029 6.262 -6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.229 8.018 -5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.946 8.025 -4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.369 9.959 -6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.960 10.158 -5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.357 9.673 -8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.950 9.758 -7.864 1.00 0.00 H new ATOM 822 N GLY A 49 -0.567 7.212 -8.171 1.00 0.00 N ATOM 823 CA GLY A 49 -1.824 6.736 -8.723 1.00 0.00 C ATOM 824 C GLY A 49 -1.600 5.523 -9.628 1.00 0.00 C ATOM 825 O GLY A 49 -2.470 4.663 -9.747 1.00 0.00 O ATOM 0 H GLY A 49 -0.293 8.146 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.503 6.470 -7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.302 7.535 -9.291 1.00 0.00 H new ATOM 829 N LEU A 50 -0.427 5.493 -10.246 1.00 0.00 N ATOM 830 CA LEU A 50 -0.078 4.400 -11.136 1.00 0.00 C ATOM 831 C LEU A 50 0.029 3.105 -10.330 1.00 0.00 C ATOM 832 O LEU A 50 0.019 2.014 -10.897 1.00 0.00 O ATOM 833 CB LEU A 50 1.188 4.738 -11.927 1.00 0.00 C ATOM 834 CG LEU A 50 2.325 3.718 -11.840 1.00 0.00 C ATOM 835 CD1 LEU A 50 2.751 3.497 -10.387 1.00 0.00 C ATOM 836 CD2 LEU A 50 1.943 2.409 -12.531 1.00 0.00 C ATOM 0 H LEU A 50 0.293 6.209 -10.147 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.861 4.249 -11.879 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.916 4.861 -12.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.563 5.701 -11.580 1.00 0.00 H new ATOM 0 HG LEU A 50 3.187 4.121 -12.372 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.560 2.768 -10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.093 4.440 -9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.903 3.126 -9.812 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.769 1.702 -12.454 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.060 1.988 -12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.727 2.602 -13.582 1.00 0.00 H new ATOM 848 N LEU A 51 0.128 3.268 -9.019 1.00 0.00 N ATOM 849 CA LEU A 51 0.235 2.125 -8.128 1.00 0.00 C ATOM 850 C LEU A 51 -1.163 1.711 -7.664 1.00 0.00 C ATOM 851 O LEU A 51 -1.311 0.752 -6.908 1.00 0.00 O ATOM 852 CB LEU A 51 1.200 2.428 -6.981 1.00 0.00 C ATOM 853 CG LEU A 51 1.232 1.406 -5.842 1.00 0.00 C ATOM 854 CD1 LEU A 51 1.630 0.022 -6.360 1.00 0.00 C ATOM 855 CD2 LEU A 51 2.142 1.878 -4.707 1.00 0.00 C ATOM 0 H LEU A 51 0.136 4.175 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 51 0.661 1.271 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.206 2.515 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.941 3.401 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 51 0.226 1.319 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.645 -0.686 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.908 -0.309 -7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.621 0.074 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.147 1.134 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.156 2.011 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.773 2.826 -4.315 1.00 0.00 H new ATOM 867 N GLU A 52 -2.152 2.457 -8.135 1.00 0.00 N ATOM 868 CA GLU A 52 -3.533 2.179 -7.778 1.00 0.00 C ATOM 869 C GLU A 52 -4.053 0.974 -8.562 1.00 0.00 C ATOM 870 O GLU A 52 -5.174 0.520 -8.339 1.00 0.00 O ATOM 871 CB GLU A 52 -4.416 3.407 -8.010 1.00 0.00 C ATOM 872 CG GLU A 52 -4.899 3.469 -9.460 1.00 0.00 C ATOM 873 CD GLU A 52 -5.427 4.863 -9.803 1.00 0.00 C ATOM 874 OE1 GLU A 52 -4.654 5.827 -9.613 1.00 0.00 O ATOM 875 OE2 GLU A 52 -6.594 4.934 -10.247 1.00 0.00 O ATOM 0 H GLU A 52 -2.025 3.253 -8.760 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.572 1.939 -6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.274 3.375 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.857 4.312 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.080 3.211 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.685 2.730 -9.617 1.00 0.00 H new ATOM 882 N THR A 53 -3.213 0.489 -9.465 1.00 0.00 N ATOM 883 CA THR A 53 -3.574 -0.656 -10.284 1.00 0.00 C ATOM 884 C THR A 53 -2.694 -1.858 -9.938 1.00 0.00 C ATOM 885 O THR A 53 -1.521 -1.698 -9.606 1.00 0.00 O ATOM 886 CB THR A 53 -3.479 -0.236 -11.753 1.00 0.00 C ATOM 887 OG1 THR A 53 -2.081 -0.260 -12.030 1.00 0.00 O ATOM 888 CG2 THR A 53 -3.875 1.227 -11.970 1.00 0.00 C ATOM 0 H THR A 53 -2.284 0.868 -9.647 1.00 0.00 H new ATOM 0 HA THR A 53 -4.598 -0.975 -10.088 1.00 0.00 H new ATOM 0 HB THR A 53 -4.118 -0.880 -12.357 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.651 0.515 -11.612 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.790 1.474 -13.028 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.904 1.378 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.213 1.873 -11.393 1.00 0.00 H new ATOM 896 N SER A 54 -3.295 -3.036 -10.028 1.00 0.00 N ATOM 897 CA SER A 54 -2.580 -4.265 -9.729 1.00 0.00 C ATOM 898 C SER A 54 -1.338 -4.377 -10.615 1.00 0.00 C ATOM 899 O SER A 54 -0.311 -4.900 -10.186 1.00 0.00 O ATOM 900 CB SER A 54 -3.481 -5.486 -9.920 1.00 0.00 C ATOM 901 OG SER A 54 -3.466 -5.954 -11.266 1.00 0.00 O ATOM 0 H SER A 54 -4.269 -3.165 -10.304 1.00 0.00 H new ATOM 0 HA SER A 54 -2.271 -4.235 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.155 -6.285 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.502 -5.231 -9.636 1.00 0.00 H new ATOM 0 HG SER A 54 -4.052 -6.735 -11.347 1.00 0.00 H new ATOM 907 N GLU A 55 -1.473 -3.878 -11.835 1.00 0.00 N ATOM 908 CA GLU A 55 -0.375 -3.917 -12.785 1.00 0.00 C ATOM 909 C GLU A 55 0.784 -3.047 -12.291 1.00 0.00 C ATOM 910 O GLU A 55 1.933 -3.487 -12.277 1.00 0.00 O ATOM 911 CB GLU A 55 -0.836 -3.477 -14.175 1.00 0.00 C ATOM 912 CG GLU A 55 -1.009 -4.682 -15.103 1.00 0.00 C ATOM 913 CD GLU A 55 -0.707 -4.304 -16.554 1.00 0.00 C ATOM 914 OE1 GLU A 55 0.450 -3.908 -16.809 1.00 0.00 O ATOM 915 OE2 GLU A 55 -1.641 -4.420 -17.376 1.00 0.00 O ATOM 0 H GLU A 55 -2.326 -3.444 -12.187 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.025 -4.946 -12.864 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.779 -2.937 -14.095 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.108 -2.787 -14.602 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.345 -5.487 -14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.028 -5.061 -15.027 1.00 0.00 H new ATOM 922 N GLY A 56 0.442 -1.829 -11.900 1.00 0.00 N ATOM 923 CA GLY A 56 1.440 -0.894 -11.407 1.00 0.00 C ATOM 924 C GLY A 56 2.154 -1.453 -10.175 1.00 0.00 C ATOM 925 O GLY A 56 3.363 -1.283 -10.024 1.00 0.00 O ATOM 0 H GLY A 56 -0.512 -1.467 -11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.168 -0.687 -12.191 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.963 0.054 -11.157 1.00 0.00 H new ATOM 929 N CYS A 57 1.376 -2.108 -9.326 1.00 0.00 N ATOM 930 CA CYS A 57 1.919 -2.693 -8.111 1.00 0.00 C ATOM 931 C CYS A 57 2.916 -3.784 -8.508 1.00 0.00 C ATOM 932 O CYS A 57 3.993 -3.887 -7.925 1.00 0.00 O ATOM 933 CB CYS A 57 0.815 -3.233 -7.201 1.00 0.00 C ATOM 934 SG CYS A 57 1.334 -3.113 -5.450 1.00 0.00 S ATOM 0 H CYS A 57 0.374 -2.247 -9.455 1.00 0.00 H new ATOM 0 HA CYS A 57 2.433 -1.925 -7.532 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.104 -2.668 -7.356 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.598 -4.271 -7.455 1.00 0.00 H new ATOM 0 HG CYS A 57 1.917 -4.219 -5.093 1.00 0.00 H new ATOM 940 N ARG A 58 2.520 -4.571 -9.499 1.00 0.00 N ATOM 941 CA ARG A 58 3.365 -5.651 -9.980 1.00 0.00 C ATOM 942 C ARG A 58 4.612 -5.084 -10.664 1.00 0.00 C ATOM 943 O ARG A 58 5.695 -5.658 -10.560 1.00 0.00 O ATOM 944 CB ARG A 58 2.611 -6.542 -10.968 1.00 0.00 C ATOM 945 CG ARG A 58 2.905 -8.021 -10.708 1.00 0.00 C ATOM 946 CD ARG A 58 4.081 -8.503 -11.560 1.00 0.00 C ATOM 947 NE ARG A 58 3.814 -9.870 -12.063 1.00 0.00 N ATOM 948 CZ ARG A 58 4.627 -10.538 -12.892 1.00 0.00 C ATOM 949 NH1 ARG A 58 5.764 -9.968 -13.319 1.00 0.00 N ATOM 950 NH2 ARG A 58 4.305 -11.774 -13.296 1.00 0.00 N ATOM 0 H ARG A 58 1.626 -4.482 -9.981 1.00 0.00 H new ATOM 0 HA ARG A 58 3.659 -6.251 -9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.540 -6.360 -10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.898 -6.284 -11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.131 -8.171 -9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.020 -8.617 -10.933 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.238 -7.823 -12.397 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.996 -8.496 -10.968 1.00 0.00 H new ATOM 0 HE ARG A 58 2.957 -10.332 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.009 -9.027 -13.012 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.383 -10.476 -13.950 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.440 -12.207 -12.972 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.925 -12.282 -13.927 1.00 0.00 H new ATOM 964 N GLN A 59 4.416 -3.966 -11.348 1.00 0.00 N ATOM 965 CA GLN A 59 5.511 -3.317 -12.048 1.00 0.00 C ATOM 966 C GLN A 59 6.555 -2.812 -11.050 1.00 0.00 C ATOM 967 O GLN A 59 7.741 -3.106 -11.185 1.00 0.00 O ATOM 968 CB GLN A 59 4.998 -2.176 -12.929 1.00 0.00 C ATOM 969 CG GLN A 59 6.013 -1.827 -14.019 1.00 0.00 C ATOM 970 CD GLN A 59 6.277 -3.028 -14.929 1.00 0.00 C ATOM 971 OE1 GLN A 59 5.476 -3.942 -15.040 1.00 0.00 O ATOM 972 NE2 GLN A 59 7.441 -2.976 -15.570 1.00 0.00 N ATOM 0 H GLN A 59 3.516 -3.494 -11.432 1.00 0.00 H new ATOM 0 HA GLN A 59 5.986 -4.051 -12.699 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.051 -2.463 -13.387 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.802 -1.297 -12.315 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.641 -0.992 -14.612 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.947 -1.502 -13.560 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.065 -2.181 -15.431 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.710 -3.731 -16.201 1.00 0.00 H new ATOM 981 N ILE A 60 6.074 -2.059 -10.070 1.00 0.00 N ATOM 982 CA ILE A 60 6.951 -1.511 -9.049 1.00 0.00 C ATOM 983 C ILE A 60 7.668 -2.655 -8.330 1.00 0.00 C ATOM 984 O ILE A 60 8.884 -2.614 -8.151 1.00 0.00 O ATOM 985 CB ILE A 60 6.169 -0.589 -8.111 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.911 0.769 -8.766 1.00 0.00 C ATOM 987 CG2 ILE A 60 6.879 -0.450 -6.763 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.410 1.034 -8.906 1.00 0.00 C ATOM 0 H ILE A 60 5.089 -1.816 -9.962 1.00 0.00 H new ATOM 0 HA ILE A 60 7.721 -0.888 -9.503 1.00 0.00 H new ATOM 0 HB ILE A 60 5.197 -1.042 -7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.369 1.558 -8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.382 0.798 -9.748 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.303 0.210 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.968 -1.431 -6.296 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.873 -0.030 -6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.254 2.006 -9.374 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.959 0.257 -9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.946 1.028 -7.920 1.00 0.00 H new ATOM 1000 N LEU A 61 6.885 -3.650 -7.939 1.00 0.00 N ATOM 1001 CA LEU A 61 7.430 -4.802 -7.244 1.00 0.00 C ATOM 1002 C LEU A 61 8.534 -5.432 -8.097 1.00 0.00 C ATOM 1003 O LEU A 61 9.556 -5.871 -7.571 1.00 0.00 O ATOM 1004 CB LEU A 61 6.314 -5.779 -6.867 1.00 0.00 C ATOM 1005 CG LEU A 61 6.700 -6.895 -5.893 1.00 0.00 C ATOM 1006 CD1 LEU A 61 6.779 -6.368 -4.459 1.00 0.00 C ATOM 1007 CD2 LEU A 61 5.744 -8.083 -6.016 1.00 0.00 C ATOM 0 H LEU A 61 5.877 -3.681 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 61 7.887 -4.496 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.493 -5.211 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.935 -6.236 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 61 7.695 -7.253 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.055 -7.181 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.529 -5.580 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.809 -5.968 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.040 -8.862 -5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.728 -7.758 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.782 -8.477 -7.032 1.00 0.00 H new ATOM 1019 N GLY A 62 8.291 -5.456 -9.399 1.00 0.00 N ATOM 1020 CA GLY A 62 9.252 -6.023 -10.329 1.00 0.00 C ATOM 1021 C GLY A 62 10.440 -5.081 -10.535 1.00 0.00 C ATOM 1022 O GLY A 62 11.528 -5.519 -10.904 1.00 0.00 O ATOM 0 H GLY A 62 7.442 -5.092 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.606 -6.982 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.767 -6.216 -11.286 1.00 0.00 H new ATOM 1026 N GLN A 63 10.191 -3.804 -10.285 1.00 0.00 N ATOM 1027 CA GLN A 63 11.227 -2.795 -10.436 1.00 0.00 C ATOM 1028 C GLN A 63 12.256 -2.919 -9.312 1.00 0.00 C ATOM 1029 O GLN A 63 13.456 -2.789 -9.548 1.00 0.00 O ATOM 1030 CB GLN A 63 10.622 -1.391 -10.475 1.00 0.00 C ATOM 1031 CG GLN A 63 11.576 -0.401 -11.147 1.00 0.00 C ATOM 1032 CD GLN A 63 11.437 -0.453 -12.669 1.00 0.00 C ATOM 1033 OE1 GLN A 63 11.114 -1.473 -13.255 1.00 0.00 O ATOM 1034 NE2 GLN A 63 11.699 0.702 -13.276 1.00 0.00 N ATOM 0 H GLN A 63 9.287 -3.444 -9.979 1.00 0.00 H new ATOM 0 HA GLN A 63 11.735 -2.962 -11.386 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.676 -1.414 -11.016 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.402 -1.058 -9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.366 0.609 -10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.603 -0.631 -10.864 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.964 1.519 -12.726 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.635 0.770 -14.292 1.00 0.00 H new ATOM 1043 N LEU A 64 11.749 -3.167 -8.113 1.00 0.00 N ATOM 1044 CA LEU A 64 12.611 -3.309 -6.952 1.00 0.00 C ATOM 1045 C LEU A 64 12.989 -4.782 -6.779 1.00 0.00 C ATOM 1046 O LEU A 64 13.938 -5.103 -6.066 1.00 0.00 O ATOM 1047 CB LEU A 64 11.950 -2.695 -5.716 1.00 0.00 C ATOM 1048 CG LEU A 64 11.055 -1.480 -5.969 1.00 0.00 C ATOM 1049 CD1 LEU A 64 10.581 -0.865 -4.650 1.00 0.00 C ATOM 1050 CD2 LEU A 64 11.761 -0.455 -6.859 1.00 0.00 C ATOM 0 H LEU A 64 10.753 -3.273 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 64 13.539 -2.756 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.354 -3.465 -5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.733 -2.405 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 64 10.167 -1.815 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.947 -0.003 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.014 -1.606 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.445 -0.547 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.103 0.399 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.676 -0.119 -6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.007 -0.913 -7.817 1.00 0.00 H new ATOM 1062 N GLN A 65 12.225 -5.637 -7.443 1.00 0.00 N ATOM 1063 CA GLN A 65 12.467 -7.068 -7.372 1.00 0.00 C ATOM 1064 C GLN A 65 13.971 -7.351 -7.357 1.00 0.00 C ATOM 1065 O GLN A 65 14.465 -8.055 -6.477 1.00 0.00 O ATOM 1066 CB GLN A 65 11.783 -7.798 -8.529 1.00 0.00 C ATOM 1067 CG GLN A 65 10.553 -8.566 -8.042 1.00 0.00 C ATOM 1068 CD GLN A 65 10.425 -9.911 -8.761 1.00 0.00 C ATOM 1069 OE1 GLN A 65 9.482 -10.166 -9.491 1.00 0.00 O ATOM 1070 NE2 GLN A 65 11.424 -10.753 -8.516 1.00 0.00 N ATOM 0 H GLN A 65 11.438 -5.366 -8.033 1.00 0.00 H new ATOM 0 HA GLN A 65 12.037 -7.444 -6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.488 -7.079 -9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.486 -8.488 -8.995 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.625 -8.730 -6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.656 -7.971 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.184 -10.476 -7.894 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.431 -11.676 -8.950 1.00 0.00 H new ATOM 1079 N PRO A 66 14.675 -6.775 -8.367 1.00 0.00 N ATOM 1080 CA PRO A 66 16.111 -6.959 -8.479 1.00 0.00 C ATOM 1081 C PRO A 66 16.853 -6.119 -7.437 1.00 0.00 C ATOM 1082 O PRO A 66 17.841 -6.571 -6.860 1.00 0.00 O ATOM 1083 CB PRO A 66 16.449 -6.566 -9.908 1.00 0.00 C ATOM 1084 CG PRO A 66 15.273 -5.739 -10.402 1.00 0.00 C ATOM 1085 CD PRO A 66 14.123 -5.936 -9.428 1.00 0.00 C ATOM 0 HA PRO A 66 16.420 -7.985 -8.279 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.374 -5.991 -9.947 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.596 -7.448 -10.531 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.546 -4.685 -10.462 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.982 -6.051 -11.405 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.769 -4.983 -9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.273 -6.417 -9.911 1.00 0.00 H new ATOM 1093 N SER A 67 16.350 -4.912 -7.229 1.00 0.00 N ATOM 1094 CA SER A 67 16.952 -4.005 -6.267 1.00 0.00 C ATOM 1095 C SER A 67 16.946 -4.640 -4.874 1.00 0.00 C ATOM 1096 O SER A 67 17.653 -4.183 -3.977 1.00 0.00 O ATOM 1097 CB SER A 67 16.219 -2.662 -6.240 1.00 0.00 C ATOM 1098 OG SER A 67 17.114 -1.569 -6.054 1.00 0.00 O ATOM 0 H SER A 67 15.531 -4.540 -7.711 1.00 0.00 H new ATOM 0 HA SER A 67 17.982 -3.820 -6.572 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.673 -2.528 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.482 -2.667 -5.437 1.00 0.00 H new ATOM 0 HG SER A 67 16.608 -0.730 -6.044 1.00 0.00 H new ATOM 1104 N LEU A 68 16.141 -5.683 -4.738 1.00 0.00 N ATOM 1105 CA LEU A 68 16.034 -6.385 -3.470 1.00 0.00 C ATOM 1106 C LEU A 68 17.304 -7.207 -3.238 1.00 0.00 C ATOM 1107 O LEU A 68 17.779 -7.315 -2.109 1.00 0.00 O ATOM 1108 CB LEU A 68 14.749 -7.214 -3.423 1.00 0.00 C ATOM 1109 CG LEU A 68 13.441 -6.421 -3.366 1.00 0.00 C ATOM 1110 CD1 LEU A 68 12.300 -7.196 -4.026 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.106 -6.020 -1.929 1.00 0.00 C ATOM 0 H LEU A 68 15.557 -6.059 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 68 15.958 -5.674 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.723 -7.857 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.793 -7.867 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 68 13.575 -5.501 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.383 -6.610 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.547 -7.388 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.156 -8.144 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.172 -5.458 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 68 12.999 -6.916 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.908 -5.400 -1.528 1.00 0.00 H new ATOM 1123 N GLN A 69 17.817 -7.764 -4.326 1.00 0.00 N ATOM 1124 CA GLN A 69 19.022 -8.572 -4.255 1.00 0.00 C ATOM 1125 C GLN A 69 20.012 -7.962 -3.260 1.00 0.00 C ATOM 1126 O GLN A 69 20.612 -8.677 -2.458 1.00 0.00 O ATOM 1127 CB GLN A 69 19.659 -8.729 -5.637 1.00 0.00 C ATOM 1128 CG GLN A 69 20.298 -10.109 -5.792 1.00 0.00 C ATOM 1129 CD GLN A 69 21.664 -10.008 -6.474 1.00 0.00 C ATOM 1130 OE1 GLN A 69 22.215 -8.935 -6.662 1.00 0.00 O ATOM 1131 NE2 GLN A 69 22.179 -11.180 -6.833 1.00 0.00 N ATOM 0 H GLN A 69 17.420 -7.671 -5.261 1.00 0.00 H new ATOM 0 HA GLN A 69 18.749 -9.567 -3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 69 18.902 -8.586 -6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 69 20.414 -7.956 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 69 20.410 -10.574 -4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 69 19.642 -10.754 -6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 69 21.666 -12.041 -6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 69 23.087 -11.218 -7.295 1.00 0.00 H new ATOM 1140 N THR A 70 20.153 -6.648 -3.345 1.00 0.00 N ATOM 1141 CA THR A 70 21.059 -5.934 -2.462 1.00 0.00 C ATOM 1142 C THR A 70 20.430 -4.618 -2.000 1.00 0.00 C ATOM 1143 O THR A 70 21.101 -3.588 -1.947 1.00 0.00 O ATOM 1144 CB THR A 70 22.386 -5.745 -3.199 1.00 0.00 C ATOM 1145 OG1 THR A 70 22.142 -4.653 -4.082 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.708 -6.914 -4.133 1.00 0.00 C ATOM 0 H THR A 70 19.655 -6.059 -4.012 1.00 0.00 H new ATOM 0 HA THR A 70 21.252 -6.502 -1.552 1.00 0.00 H new ATOM 0 HB THR A 70 23.190 -5.627 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.060 -3.825 -3.564 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.660 -6.730 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.774 -7.835 -3.554 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.920 -7.011 -4.880 1.00 0.00 H new ATOM 1154 N GLY A 71 19.146 -4.694 -1.678 1.00 0.00 N ATOM 1155 CA GLY A 71 18.418 -3.522 -1.223 1.00 0.00 C ATOM 1156 C GLY A 71 18.619 -3.301 0.278 1.00 0.00 C ATOM 1157 O GLY A 71 19.222 -4.131 0.956 1.00 0.00 O ATOM 0 H GLY A 71 18.592 -5.549 -1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.756 -2.643 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.356 -3.643 -1.438 1.00 0.00 H new ATOM 1161 N SER A 72 18.103 -2.177 0.752 1.00 0.00 N ATOM 1162 CA SER A 72 18.219 -1.835 2.159 1.00 0.00 C ATOM 1163 C SER A 72 17.049 -2.436 2.941 1.00 0.00 C ATOM 1164 O SER A 72 16.104 -2.956 2.349 1.00 0.00 O ATOM 1165 CB SER A 72 18.265 -0.318 2.356 1.00 0.00 C ATOM 1166 OG SER A 72 16.976 0.276 2.233 1.00 0.00 O ATOM 0 H SER A 72 17.603 -1.491 0.186 1.00 0.00 H new ATOM 0 HA SER A 72 19.153 -2.251 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.675 -0.093 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.939 0.123 1.621 1.00 0.00 H new ATOM 0 HG SER A 72 17.068 1.190 1.892 1.00 0.00 H new ATOM 1172 N GLU A 73 17.150 -2.344 4.259 1.00 0.00 N ATOM 1173 CA GLU A 73 16.113 -2.873 5.128 1.00 0.00 C ATOM 1174 C GLU A 73 14.785 -2.161 4.862 1.00 0.00 C ATOM 1175 O GLU A 73 13.739 -2.802 4.774 1.00 0.00 O ATOM 1176 CB GLU A 73 16.515 -2.753 6.599 1.00 0.00 C ATOM 1177 CG GLU A 73 16.936 -4.110 7.166 1.00 0.00 C ATOM 1178 CD GLU A 73 15.714 -4.934 7.577 1.00 0.00 C ATOM 1179 OE1 GLU A 73 15.023 -5.422 6.657 1.00 0.00 O ATOM 1180 OE2 GLU A 73 15.501 -5.058 8.803 1.00 0.00 O ATOM 0 H GLU A 73 17.935 -1.911 4.746 1.00 0.00 H new ATOM 0 HA GLU A 73 15.986 -3.933 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.336 -2.043 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.680 -2.357 7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.514 -4.656 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.586 -3.962 8.028 1.00 0.00 H new ATOM 1187 N GLU A 74 14.869 -0.844 4.742 1.00 0.00 N ATOM 1188 CA GLU A 74 13.688 -0.038 4.489 1.00 0.00 C ATOM 1189 C GLU A 74 13.139 -0.326 3.090 1.00 0.00 C ATOM 1190 O GLU A 74 11.928 -0.434 2.904 1.00 0.00 O ATOM 1191 CB GLU A 74 13.992 1.451 4.663 1.00 0.00 C ATOM 1192 CG GLU A 74 15.078 1.907 3.687 1.00 0.00 C ATOM 1193 CD GLU A 74 15.341 3.408 3.820 1.00 0.00 C ATOM 1194 OE1 GLU A 74 14.369 4.128 4.138 1.00 0.00 O ATOM 1195 OE2 GLU A 74 16.507 3.802 3.601 1.00 0.00 O ATOM 0 H GLU A 74 15.738 -0.315 4.816 1.00 0.00 H new ATOM 0 HA GLU A 74 12.925 -0.307 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.085 2.032 4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.314 1.643 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.998 1.355 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.774 1.677 2.666 1.00 0.00 H new ATOM 1202 N LEU A 75 14.057 -0.441 2.141 1.00 0.00 N ATOM 1203 CA LEU A 75 13.681 -0.714 0.765 1.00 0.00 C ATOM 1204 C LEU A 75 12.965 -2.064 0.694 1.00 0.00 C ATOM 1205 O LEU A 75 11.956 -2.200 0.005 1.00 0.00 O ATOM 1206 CB LEU A 75 14.900 -0.615 -0.154 1.00 0.00 C ATOM 1207 CG LEU A 75 14.670 -0.998 -1.618 1.00 0.00 C ATOM 1208 CD1 LEU A 75 14.679 0.240 -2.516 1.00 0.00 C ATOM 1209 CD2 LEU A 75 15.686 -2.046 -2.076 1.00 0.00 C ATOM 0 H LEU A 75 15.061 -0.350 2.299 1.00 0.00 H new ATOM 0 HA LEU A 75 12.979 0.039 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.273 0.409 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.686 -1.253 0.249 1.00 0.00 H new ATOM 0 HG LEU A 75 13.681 -1.449 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 75 14.513 -0.060 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.887 0.921 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 75 15.643 0.742 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.501 -2.301 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 75 16.694 -1.644 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.588 -2.941 -1.461 1.00 0.00 H new ATOM 1221 N ARG A 76 13.517 -3.029 1.416 1.00 0.00 N ATOM 1222 CA ARG A 76 12.944 -4.364 1.444 1.00 0.00 C ATOM 1223 C ARG A 76 11.519 -4.318 1.999 1.00 0.00 C ATOM 1224 O ARG A 76 10.599 -4.877 1.405 1.00 0.00 O ATOM 1225 CB ARG A 76 13.789 -5.307 2.302 1.00 0.00 C ATOM 1226 CG ARG A 76 14.248 -6.521 1.492 1.00 0.00 C ATOM 1227 CD ARG A 76 13.935 -7.823 2.230 1.00 0.00 C ATOM 1228 NE ARG A 76 13.688 -8.911 1.256 1.00 0.00 N ATOM 1229 CZ ARG A 76 13.307 -10.150 1.594 1.00 0.00 C ATOM 1230 NH1 ARG A 76 13.129 -10.468 2.883 1.00 0.00 N ATOM 1231 NH2 ARG A 76 13.107 -11.072 0.642 1.00 0.00 N ATOM 0 H ARG A 76 14.355 -2.913 1.986 1.00 0.00 H new ATOM 0 HA ARG A 76 12.927 -4.740 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.657 -4.773 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.209 -5.638 3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.754 -6.522 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.320 -6.454 1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.766 -8.090 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.061 -7.688 2.867 1.00 0.00 H new ATOM 0 HE ARG A 76 13.816 -8.704 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.284 -9.767 3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.839 -11.411 3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.245 -10.830 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.817 -12.016 0.899 1.00 0.00 H new ATOM 1245 N SER A 77 11.381 -3.646 3.133 1.00 0.00 N ATOM 1246 CA SER A 77 10.084 -3.520 3.776 1.00 0.00 C ATOM 1247 C SER A 77 9.074 -2.913 2.801 1.00 0.00 C ATOM 1248 O SER A 77 7.914 -3.322 2.768 1.00 0.00 O ATOM 1249 CB SER A 77 10.177 -2.668 5.043 1.00 0.00 C ATOM 1250 OG SER A 77 8.924 -2.569 5.713 1.00 0.00 O ATOM 0 H SER A 77 12.146 -3.183 3.623 1.00 0.00 H new ATOM 0 HA SER A 77 9.748 -4.516 4.065 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.916 -3.101 5.718 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.529 -1.670 4.783 1.00 0.00 H new ATOM 0 HG SER A 77 8.464 -1.752 5.427 1.00 0.00 H new ATOM 1256 N LEU A 78 9.551 -1.947 2.030 1.00 0.00 N ATOM 1257 CA LEU A 78 8.704 -1.278 1.057 1.00 0.00 C ATOM 1258 C LEU A 78 8.228 -2.296 0.018 1.00 0.00 C ATOM 1259 O LEU A 78 7.044 -2.346 -0.311 1.00 0.00 O ATOM 1260 CB LEU A 78 9.429 -0.074 0.452 1.00 0.00 C ATOM 1261 CG LEU A 78 8.555 1.136 0.117 1.00 0.00 C ATOM 1262 CD1 LEU A 78 7.330 0.720 -0.697 1.00 0.00 C ATOM 1263 CD2 LEU A 78 8.168 1.899 1.386 1.00 0.00 C ATOM 0 H LEU A 78 10.514 -1.611 2.059 1.00 0.00 H new ATOM 0 HA LEU A 78 7.814 -0.874 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.205 0.245 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.931 -0.398 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 78 9.137 1.816 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.726 1.599 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.653 0.254 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.736 0.009 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.547 2.755 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.612 1.239 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.069 2.247 1.890 1.00 0.00 H new ATOM 1275 N TYR A 79 9.176 -3.082 -0.471 1.00 0.00 N ATOM 1276 CA TYR A 79 8.869 -4.095 -1.466 1.00 0.00 C ATOM 1277 C TYR A 79 7.814 -5.073 -0.946 1.00 0.00 C ATOM 1278 O TYR A 79 6.932 -5.496 -1.692 1.00 0.00 O ATOM 1279 CB TYR A 79 10.175 -4.855 -1.711 1.00 0.00 C ATOM 1280 CG TYR A 79 9.977 -6.283 -2.223 1.00 0.00 C ATOM 1281 CD1 TYR A 79 9.629 -6.502 -3.540 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.146 -7.352 -1.366 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.442 -7.847 -4.022 1.00 0.00 C ATOM 1284 CE2 TYR A 79 9.959 -8.696 -1.848 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.618 -8.878 -3.152 1.00 0.00 C ATOM 1286 OH TYR A 79 9.441 -10.148 -3.606 1.00 0.00 O ATOM 0 H TYR A 79 10.157 -3.038 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 79 8.476 -3.635 -2.373 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.776 -4.301 -2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.744 -4.889 -0.782 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.497 -5.665 -4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.418 -7.180 -0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.168 -8.032 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.087 -9.541 -1.188 1.00 0.00 H new ATOM 0 HH TYR A 79 9.822 -10.781 -2.963 1.00 0.00 H new ATOM 1296 N ASN A 80 7.939 -5.404 0.331 1.00 0.00 N ATOM 1297 CA ASN A 80 7.006 -6.324 0.960 1.00 0.00 C ATOM 1298 C ASN A 80 5.608 -5.706 0.960 1.00 0.00 C ATOM 1299 O ASN A 80 4.633 -6.368 0.607 1.00 0.00 O ATOM 1300 CB ASN A 80 7.401 -6.601 2.412 1.00 0.00 C ATOM 1301 CG ASN A 80 6.822 -7.932 2.894 1.00 0.00 C ATOM 1302 OD1 ASN A 80 5.701 -8.300 2.582 1.00 0.00 O ATOM 1303 ND2 ASN A 80 7.646 -8.632 3.670 1.00 0.00 N ATOM 0 H ASN A 80 8.672 -5.052 0.947 1.00 0.00 H new ATOM 0 HA ASN A 80 7.022 -7.257 0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.487 -6.620 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.044 -5.793 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.352 -9.535 4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.572 -8.266 3.892 1.00 0.00 H new ATOM 1310 N THR A 81 5.553 -4.443 1.359 1.00 0.00 N ATOM 1311 CA THR A 81 4.290 -3.728 1.409 1.00 0.00 C ATOM 1312 C THR A 81 3.664 -3.652 0.014 1.00 0.00 C ATOM 1313 O THR A 81 2.459 -3.845 -0.142 1.00 0.00 O ATOM 1314 CB THR A 81 4.547 -2.356 2.036 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.512 -2.614 3.051 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.333 -1.825 2.801 1.00 0.00 C ATOM 0 H THR A 81 6.364 -3.897 1.651 1.00 0.00 H new ATOM 0 HA THR A 81 3.563 -4.253 2.029 1.00 0.00 H new ATOM 0 HB THR A 81 4.823 -1.646 1.256 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.412 -2.480 2.688 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.569 -0.849 3.226 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.487 -1.729 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.077 -2.517 3.603 1.00 0.00 H new ATOM 1324 N ILE A 82 4.512 -3.369 -0.964 1.00 0.00 N ATOM 1325 CA ILE A 82 4.058 -3.264 -2.340 1.00 0.00 C ATOM 1326 C ILE A 82 3.471 -4.606 -2.782 1.00 0.00 C ATOM 1327 O ILE A 82 2.390 -4.653 -3.367 1.00 0.00 O ATOM 1328 CB ILE A 82 5.187 -2.761 -3.240 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.626 -1.353 -2.834 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.787 -2.833 -4.716 1.00 0.00 C ATOM 1331 CD1 ILE A 82 4.601 -0.309 -3.282 1.00 0.00 C ATOM 0 H ILE A 82 5.511 -3.209 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 82 3.262 -2.524 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 82 6.047 -3.418 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.751 -1.305 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.596 -1.129 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.608 -2.469 -5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.563 -3.866 -4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.905 -2.215 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.937 0.683 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.497 -0.343 -4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.638 -0.522 -2.818 1.00 0.00 H new ATOM 1343 N ALA A 83 4.210 -5.666 -2.487 1.00 0.00 N ATOM 1344 CA ALA A 83 3.776 -7.005 -2.846 1.00 0.00 C ATOM 1345 C ALA A 83 2.401 -7.273 -2.231 1.00 0.00 C ATOM 1346 O ALA A 83 1.507 -7.789 -2.900 1.00 0.00 O ATOM 1347 CB ALA A 83 4.826 -8.020 -2.393 1.00 0.00 C ATOM 0 H ALA A 83 5.107 -5.624 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 83 3.677 -7.100 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.501 -9.025 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.776 -7.803 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.951 -7.957 -1.312 1.00 0.00 H new ATOM 1353 N VAL A 84 2.275 -6.913 -0.962 1.00 0.00 N ATOM 1354 CA VAL A 84 1.024 -7.109 -0.248 1.00 0.00 C ATOM 1355 C VAL A 84 -0.074 -6.282 -0.918 1.00 0.00 C ATOM 1356 O VAL A 84 -1.192 -6.761 -1.101 1.00 0.00 O ATOM 1357 CB VAL A 84 1.209 -6.771 1.232 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.137 -6.473 1.898 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.946 -7.895 1.964 1.00 0.00 C ATOM 0 H VAL A 84 3.019 -6.487 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 84 0.717 -8.154 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 84 1.822 -5.872 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.022 -6.236 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.609 -5.625 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.784 -7.346 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.064 -7.629 3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.371 -8.818 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.928 -8.040 1.514 1.00 0.00 H new ATOM 1369 N LEU A 85 0.282 -5.055 -1.267 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.660 -4.157 -1.913 1.00 0.00 C ATOM 1371 C LEU A 85 -1.147 -4.789 -3.219 1.00 0.00 C ATOM 1372 O LEU A 85 -2.340 -4.761 -3.519 1.00 0.00 O ATOM 1373 CB LEU A 85 -0.040 -2.770 -2.096 1.00 0.00 C ATOM 1374 CG LEU A 85 -1.017 -1.634 -2.401 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -1.480 -1.685 -3.858 1.00 0.00 C ATOM 1376 CD2 LEU A 85 -2.195 -1.646 -1.424 1.00 0.00 C ATOM 0 H LEU A 85 1.210 -4.661 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.537 -4.008 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.509 -2.517 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.688 -2.823 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.494 -0.688 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.174 -0.866 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.617 -1.590 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.979 -2.635 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.874 -0.828 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.726 -2.594 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.825 -1.524 -0.406 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.199 -5.345 -3.960 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.517 -5.983 -5.226 1.00 0.00 C ATOM 1390 C TYR A 86 -1.462 -7.168 -5.020 1.00 0.00 C ATOM 1391 O TYR A 86 -2.384 -7.377 -5.808 1.00 0.00 O ATOM 1392 CB TYR A 86 0.811 -6.496 -5.785 1.00 0.00 C ATOM 1393 CG TYR A 86 0.659 -7.511 -6.920 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.455 -7.074 -8.213 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.724 -8.863 -6.650 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.311 -8.029 -9.281 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.581 -9.818 -7.718 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.381 -9.354 -8.981 1.00 0.00 C ATOM 1399 OH TYR A 86 0.245 -10.256 -9.990 1.00 0.00 O ATOM 0 H TYR A 86 0.789 -5.367 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.009 -5.279 -5.898 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.393 -5.648 -6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.381 -6.953 -4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.403 -6.016 -8.424 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.882 -9.205 -5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.151 -7.701 -10.297 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.631 -10.879 -7.521 1.00 0.00 H new ATOM 0 HH TYR A 86 0.318 -11.164 -9.629 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.201 -7.916 -3.957 1.00 0.00 N ATOM 1410 CA CYS A 87 -2.017 -9.074 -3.639 1.00 0.00 C ATOM 1411 C CYS A 87 -3.455 -8.603 -3.411 1.00 0.00 C ATOM 1412 O CYS A 87 -4.398 -9.213 -3.911 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.468 -9.837 -2.431 1.00 0.00 C ATOM 1414 SG CYS A 87 -0.362 -11.184 -2.990 1.00 0.00 S ATOM 0 H CYS A 87 -0.436 -7.742 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.995 -9.777 -4.472 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.923 -9.156 -1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.291 -10.250 -1.847 1.00 0.00 H new ATOM 0 HG CYS A 87 0.100 -11.823 -1.957 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.576 -7.521 -2.656 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.882 -6.960 -2.356 1.00 0.00 C ATOM 1422 C VAL A 88 -5.525 -6.456 -3.650 1.00 0.00 C ATOM 1423 O VAL A 88 -6.745 -6.506 -3.802 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.752 -5.872 -1.289 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -6.113 -5.544 -0.671 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -3.745 -6.277 -0.211 1.00 0.00 C ATOM 0 H VAL A 88 -2.791 -7.018 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.540 -7.724 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.378 -4.971 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.992 -4.768 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.790 -5.191 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.528 -6.439 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.672 -5.485 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.076 -7.198 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.768 -6.437 -0.667 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.676 -5.980 -4.549 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.145 -5.466 -5.824 1.00 0.00 C ATOM 1438 C HIS A 89 -5.852 -6.581 -6.597 1.00 0.00 C ATOM 1439 O HIS A 89 -6.964 -6.392 -7.089 1.00 0.00 O ATOM 1440 CB HIS A 89 -3.996 -4.836 -6.612 1.00 0.00 C ATOM 1441 CG HIS A 89 -3.844 -3.350 -6.392 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -4.922 -2.483 -6.355 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -2.730 -2.586 -6.199 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -4.466 -1.256 -6.149 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -3.107 -1.323 -6.052 1.00 0.00 N ATOM 0 H HIS A 89 -3.665 -5.940 -4.419 1.00 0.00 H new ATOM 0 HA HIS A 89 -5.871 -4.671 -5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.065 -5.331 -6.336 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.153 -5.022 -7.675 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.713 -2.949 -6.171 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.065 -0.361 -6.072 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.483 -0.532 -5.893 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.179 -7.720 -6.680 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.729 -8.865 -7.384 1.00 0.00 C ATOM 1456 C GLN A 90 -6.606 -9.695 -6.444 1.00 0.00 C ATOM 1457 O GLN A 90 -7.122 -10.742 -6.834 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.616 -9.720 -7.993 1.00 0.00 C ATOM 1459 CG GLN A 90 -4.797 -9.860 -9.506 1.00 0.00 C ATOM 1460 CD GLN A 90 -4.515 -11.293 -9.962 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -4.637 -12.247 -9.210 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -4.134 -11.391 -11.232 1.00 0.00 N ATOM 0 H GLN A 90 -4.257 -7.874 -6.271 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.351 -8.500 -8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.647 -9.268 -7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.616 -10.707 -7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.814 -9.580 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.127 -9.172 -10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.052 -10.552 -11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.924 -12.305 -11.632 1.00 0.00 H new ATOM 1471 N ARG A 91 -6.749 -9.197 -5.225 1.00 0.00 N ATOM 1472 CA ARG A 91 -7.555 -9.879 -4.227 1.00 0.00 C ATOM 1473 C ARG A 91 -6.958 -11.252 -3.912 1.00 0.00 C ATOM 1474 O ARG A 91 -7.585 -12.279 -4.167 1.00 0.00 O ATOM 1475 CB ARG A 91 -8.997 -10.056 -4.710 1.00 0.00 C ATOM 1476 CG ARG A 91 -9.546 -8.749 -5.285 1.00 0.00 C ATOM 1477 CD ARG A 91 -10.031 -8.943 -6.723 1.00 0.00 C ATOM 1478 NE ARG A 91 -11.144 -8.012 -7.013 1.00 0.00 N ATOM 1479 CZ ARG A 91 -11.990 -8.149 -8.041 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -11.858 -9.181 -8.885 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -12.971 -7.255 -8.227 1.00 0.00 N ATOM 0 H ARG A 91 -6.320 -8.329 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.559 -9.265 -3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.037 -10.837 -5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.624 -10.385 -3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.369 -8.392 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.771 -7.983 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.210 -8.769 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.360 -9.972 -6.869 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.275 -7.215 -6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.113 -9.863 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.503 -9.285 -9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.073 -6.469 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.615 -7.360 -9.011 1.00 0.00 H new ATOM 1495 N ILE A 92 -5.754 -11.226 -3.360 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.066 -12.455 -3.007 1.00 0.00 C ATOM 1497 C ILE A 92 -5.080 -12.625 -1.486 1.00 0.00 C ATOM 1498 O ILE A 92 -4.765 -11.689 -0.752 1.00 0.00 O ATOM 1499 CB ILE A 92 -3.662 -12.479 -3.615 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -3.724 -12.682 -5.130 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -2.784 -13.528 -2.932 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -2.809 -11.693 -5.855 1.00 0.00 C ATOM 0 H ILE A 92 -5.237 -10.372 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.585 -13.315 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.198 -11.509 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.430 -13.702 -5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.750 -12.554 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.792 -13.523 -3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.700 -13.297 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.233 -14.514 -3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.873 -11.860 -6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.121 -10.674 -5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.781 -11.840 -5.525 1.00 0.00 H new ATOM 1514 N ASP A 93 -5.448 -13.823 -1.059 1.00 0.00 N ATOM 1515 CA ASP A 93 -5.508 -14.126 0.361 1.00 0.00 C ATOM 1516 C ASP A 93 -4.166 -13.777 1.009 1.00 0.00 C ATOM 1517 O ASP A 93 -3.125 -14.294 0.606 1.00 0.00 O ATOM 1518 CB ASP A 93 -5.773 -15.614 0.596 1.00 0.00 C ATOM 1519 CG ASP A 93 -6.810 -15.923 1.678 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -6.504 -15.637 2.855 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -7.885 -16.438 1.302 1.00 0.00 O ATOM 0 H ASP A 93 -5.708 -14.596 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.319 -13.542 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.104 -16.061 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.834 -16.097 0.866 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.235 -12.902 2.001 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.038 -12.477 2.709 1.00 0.00 C ATOM 1528 C VAL A 94 -3.322 -12.453 4.212 1.00 0.00 C ATOM 1529 O VAL A 94 -4.472 -12.316 4.629 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.561 -11.128 2.168 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.845 -11.298 0.827 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -3.726 -10.144 2.047 1.00 0.00 C ATOM 0 H VAL A 94 -5.100 -12.475 2.332 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.225 -13.183 2.543 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.846 -10.715 2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.516 -10.324 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.980 -11.948 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.528 -11.743 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.360 -9.193 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.475 -10.549 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.174 -9.988 3.028 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.255 -12.587 4.986 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.374 -12.581 6.433 1.00 0.00 C ATOM 1544 C LYS A 95 -1.173 -11.851 7.038 1.00 0.00 C ATOM 1545 O LYS A 95 -1.336 -10.993 7.904 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.557 -14.006 6.961 1.00 0.00 C ATOM 1547 CG LYS A 95 -1.664 -14.991 6.203 1.00 0.00 C ATOM 1548 CD LYS A 95 -2.504 -16.012 5.435 1.00 0.00 C ATOM 1549 CE LYS A 95 -3.418 -15.320 4.422 1.00 0.00 C ATOM 1550 NZ LYS A 95 -4.234 -16.318 3.693 1.00 0.00 N ATOM 0 H LYS A 95 -1.303 -12.700 4.637 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.266 -12.034 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.318 -14.037 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.601 -14.304 6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.023 -14.447 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.009 -15.508 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.848 -16.713 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.105 -16.593 6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.070 -14.613 4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.819 -14.746 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.200 -15.952 3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.809 -16.500 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.267 -17.204 4.237 1.00 0.00 H new ATOM 1564 N ASP A 96 0.005 -12.218 6.556 1.00 0.00 N ATOM 1565 CA ASP A 96 1.232 -11.608 7.039 1.00 0.00 C ATOM 1566 C ASP A 96 2.129 -11.266 5.846 1.00 0.00 C ATOM 1567 O ASP A 96 2.003 -11.863 4.779 1.00 0.00 O ATOM 1568 CB ASP A 96 2.003 -12.567 7.949 1.00 0.00 C ATOM 1569 CG ASP A 96 2.048 -14.019 7.469 1.00 0.00 C ATOM 1570 OD1 ASP A 96 0.953 -14.575 7.240 1.00 0.00 O ATOM 1571 OD2 ASP A 96 3.178 -14.539 7.342 1.00 0.00 O ATOM 0 H ASP A 96 0.136 -12.929 5.837 1.00 0.00 H new ATOM 0 HA ASP A 96 0.966 -10.713 7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.025 -12.203 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.554 -12.542 8.942 1.00 0.00 H new ATOM 1576 N THR A 97 3.013 -10.305 6.069 1.00 0.00 N ATOM 1577 CA THR A 97 3.930 -9.876 5.026 1.00 0.00 C ATOM 1578 C THR A 97 4.800 -11.047 4.566 1.00 0.00 C ATOM 1579 O THR A 97 5.184 -11.119 3.400 1.00 0.00 O ATOM 1580 CB THR A 97 4.739 -8.694 5.565 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.341 -9.197 6.754 1.00 0.00 O ATOM 1582 CG2 THR A 97 3.847 -7.549 6.054 1.00 0.00 C ATOM 0 H THR A 97 3.114 -9.811 6.956 1.00 0.00 H new ATOM 0 HA THR A 97 3.392 -9.543 4.139 1.00 0.00 H new ATOM 0 HB THR A 97 5.408 -8.327 4.786 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.208 -8.557 7.484 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.470 -6.736 6.426 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.234 -7.188 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.202 -7.908 6.856 1.00 0.00 H new ATOM 1590 N LYS A 98 5.086 -11.936 5.507 1.00 0.00 N ATOM 1591 CA LYS A 98 5.904 -13.100 5.211 1.00 0.00 C ATOM 1592 C LYS A 98 5.115 -14.058 4.317 1.00 0.00 C ATOM 1593 O LYS A 98 5.647 -14.577 3.336 1.00 0.00 O ATOM 1594 CB LYS A 98 6.409 -13.742 6.506 1.00 0.00 C ATOM 1595 CG LYS A 98 7.708 -14.511 6.265 1.00 0.00 C ATOM 1596 CD LYS A 98 8.857 -13.919 7.085 1.00 0.00 C ATOM 1597 CE LYS A 98 10.205 -14.476 6.624 1.00 0.00 C ATOM 1598 NZ LYS A 98 11.315 -13.791 7.322 1.00 0.00 N ATOM 0 H LYS A 98 4.766 -11.873 6.474 1.00 0.00 H new ATOM 0 HA LYS A 98 6.796 -12.809 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.573 -12.971 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.650 -14.417 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.569 -15.559 6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.960 -14.482 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.856 -12.833 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.708 -14.145 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.249 -15.547 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.310 -14.346 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.223 -14.181 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.281 -12.773 7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.223 -13.937 8.348 1.00 0.00 H new ATOM 1612 N GLU A 99 3.860 -14.265 4.687 1.00 0.00 N ATOM 1613 CA GLU A 99 2.993 -15.152 3.930 1.00 0.00 C ATOM 1614 C GLU A 99 2.685 -14.550 2.558 1.00 0.00 C ATOM 1615 O GLU A 99 2.532 -15.276 1.578 1.00 0.00 O ATOM 1616 CB GLU A 99 1.704 -15.448 4.700 1.00 0.00 C ATOM 1617 CG GLU A 99 0.775 -16.351 3.887 1.00 0.00 C ATOM 1618 CD GLU A 99 0.845 -17.797 4.383 1.00 0.00 C ATOM 1619 OE1 GLU A 99 1.950 -18.199 4.807 1.00 0.00 O ATOM 1620 OE2 GLU A 99 -0.208 -18.468 4.325 1.00 0.00 O ATOM 0 H GLU A 99 3.423 -13.834 5.501 1.00 0.00 H new ATOM 0 HA GLU A 99 3.514 -16.098 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.945 -15.928 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.194 -14.514 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.249 -15.986 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.052 -16.310 2.834 1.00 0.00 H new ATOM 1627 N ALA A 100 2.605 -13.228 2.531 1.00 0.00 N ATOM 1628 CA ALA A 100 2.319 -12.519 1.296 1.00 0.00 C ATOM 1629 C ALA A 100 3.524 -12.631 0.358 1.00 0.00 C ATOM 1630 O ALA A 100 3.374 -12.987 -0.809 1.00 0.00 O ATOM 1631 CB ALA A 100 1.959 -11.067 1.610 1.00 0.00 C ATOM 0 H ALA A 100 2.734 -12.629 3.346 1.00 0.00 H new ATOM 0 HA ALA A 100 1.463 -12.964 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.745 -10.536 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.080 -11.041 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.795 -10.586 2.118 1.00 0.00 H new ATOM 1637 N LEU A 101 4.689 -12.320 0.905 1.00 0.00 N ATOM 1638 CA LEU A 101 5.918 -12.381 0.133 1.00 0.00 C ATOM 1639 C LEU A 101 6.206 -13.835 -0.246 1.00 0.00 C ATOM 1640 O LEU A 101 6.761 -14.106 -1.310 1.00 0.00 O ATOM 1641 CB LEU A 101 7.062 -11.705 0.890 1.00 0.00 C ATOM 1642 CG LEU A 101 7.278 -10.219 0.593 1.00 0.00 C ATOM 1643 CD1 LEU A 101 8.557 -9.708 1.259 1.00 0.00 C ATOM 1644 CD2 LEU A 101 7.272 -9.955 -0.914 1.00 0.00 C ATOM 0 H LEU A 101 4.808 -12.025 1.874 1.00 0.00 H new ATOM 0 HA LEU A 101 5.810 -11.824 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.881 -11.819 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.986 -12.238 0.664 1.00 0.00 H new ATOM 0 HG LEU A 101 6.446 -9.660 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.687 -8.650 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.484 -9.842 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.413 -10.268 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.427 -8.892 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.072 -10.526 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.313 -10.259 -1.333 1.00 0.00 H new ATOM 1656 N ASP A 102 5.816 -14.734 0.647 1.00 0.00 N ATOM 1657 CA ASP A 102 6.025 -16.154 0.419 1.00 0.00 C ATOM 1658 C ASP A 102 5.081 -16.634 -0.685 1.00 0.00 C ATOM 1659 O ASP A 102 5.479 -17.408 -1.553 1.00 0.00 O ATOM 1660 CB ASP A 102 5.725 -16.963 1.683 1.00 0.00 C ATOM 1661 CG ASP A 102 6.058 -18.453 1.590 1.00 0.00 C ATOM 1662 OD1 ASP A 102 6.753 -18.820 0.618 1.00 0.00 O ATOM 1663 OD2 ASP A 102 5.610 -19.193 2.493 1.00 0.00 O ATOM 0 H ASP A 102 5.357 -14.506 1.529 1.00 0.00 H new ATOM 0 HA ASP A 102 7.067 -16.301 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.284 -16.532 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.667 -16.857 1.922 1.00 0.00 H new ATOM 1668 N LYS A 103 3.848 -16.154 -0.615 1.00 0.00 N ATOM 1669 CA LYS A 103 2.845 -16.525 -1.598 1.00 0.00 C ATOM 1670 C LYS A 103 3.259 -15.990 -2.970 1.00 0.00 C ATOM 1671 O LYS A 103 3.249 -16.726 -3.956 1.00 0.00 O ATOM 1672 CB LYS A 103 1.458 -16.059 -1.150 1.00 0.00 C ATOM 1673 CG LYS A 103 0.644 -17.224 -0.583 1.00 0.00 C ATOM 1674 CD LYS A 103 1.357 -17.860 0.612 1.00 0.00 C ATOM 1675 CE LYS A 103 1.660 -19.337 0.347 1.00 0.00 C ATOM 1676 NZ LYS A 103 3.104 -19.529 0.080 1.00 0.00 N ATOM 0 H LYS A 103 3.521 -15.512 0.107 1.00 0.00 H new ATOM 0 HA LYS A 103 2.780 -17.610 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.559 -15.280 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.928 -15.618 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.340 -16.870 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.486 -17.974 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.285 -17.325 0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.736 -17.767 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.360 -19.936 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.077 -19.687 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.258 -19.621 -0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.635 -18.710 0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.434 -20.391 0.558 1.00 0.00 H new ATOM 1690 N ILE A 104 3.613 -14.714 -2.991 1.00 0.00 N ATOM 1691 CA ILE A 104 4.031 -14.072 -4.225 1.00 0.00 C ATOM 1692 C ILE A 104 5.335 -14.709 -4.710 1.00 0.00 C ATOM 1693 O ILE A 104 5.555 -14.843 -5.913 1.00 0.00 O ATOM 1694 CB ILE A 104 4.118 -12.556 -4.039 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.698 -11.821 -5.314 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.515 -12.141 -3.571 1.00 0.00 C ATOM 1697 CD1 ILE A 104 2.487 -10.924 -5.055 1.00 0.00 C ATOM 0 H ILE A 104 3.619 -14.107 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 104 3.288 -14.231 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 104 3.417 -12.267 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.529 -11.219 -5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.459 -12.545 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.550 -11.059 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.738 -12.623 -2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.253 -12.445 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.209 -10.413 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.651 -11.532 -4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.737 -10.186 -4.293 1.00 0.00 H new ATOM 1709 N GLU A 105 6.167 -15.083 -3.749 1.00 0.00 N ATOM 1710 CA GLU A 105 7.443 -15.701 -4.063 1.00 0.00 C ATOM 1711 C GLU A 105 7.226 -17.089 -4.669 1.00 0.00 C ATOM 1712 O GLU A 105 7.921 -17.476 -5.607 1.00 0.00 O ATOM 1713 CB GLU A 105 8.335 -15.779 -2.822 1.00 0.00 C ATOM 1714 CG GLU A 105 9.657 -16.481 -3.139 1.00 0.00 C ATOM 1715 CD GLU A 105 10.328 -16.989 -1.862 1.00 0.00 C ATOM 1716 OE1 GLU A 105 11.077 -16.191 -1.257 1.00 0.00 O ATOM 1717 OE2 GLU A 105 10.077 -18.165 -1.518 1.00 0.00 O ATOM 0 H GLU A 105 5.982 -14.970 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 105 7.953 -15.080 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.533 -14.774 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.815 -16.317 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.476 -17.316 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.325 -15.791 -3.655 1.00 0.00 H new