USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 990 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 40 ASN : amide:sc= -1.84! C(o=-2.2!,f=-6.8!) USER MOD Set 1.2: A 113 MET CE :methyl -139:sc= -0.388 (180deg=-2.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0084 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 20 GLN : amide:sc= 0.389 K(o=0.39,f=-0.47) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -18:sc= 0.0673 USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0197) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0781) USER MOD Single : A 37 SER OG : rot -154:sc= -3.16! USER MOD Single : A 42 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -25:sc= -1.78! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00452 USER MOD Single : A 58 THR OG1 : rot 74:sc= 0.201 USER MOD Single : A 59 GLN : amide:sc=-0.00123 K(o=-0.0012,f=-0.82) USER MOD Single : A 60 GLN : amide:sc= -0.0955 K(o=-0.095,f=-2.5!) USER MOD Single : A 63 GLN : amide:sc=-0.000357 K(o=-0.00036,f=-1.2) USER MOD Single : A 67 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 74 SER OG : rot -138:sc= 0.046 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0424 K(o=-0.042,f=-0.63) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.605 X(o=-0.61,f=-0.89) USER MOD Single : A 86 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.2!) USER MOD Single : A 101 MET CE :methyl -130:sc= -0.394 (180deg=-3.73!) USER MOD Single : A 105 GLN : amide:sc= -3.5 X(o=-3.5,f=-3.3) USER MOD Single : A 106 GLN : amide:sc= -4.65! C(o=-4.6!,f=-6.9!) USER MOD Single : A 108 GLN : amide:sc= -0.0063 X(o=-0.0063,f=-0.42) USER MOD Single : A 111 ASN : amide:sc= -0.039 K(o=-0.039,f=-1.5) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -78:sc= 0.507 USER MOD Single : A 118 TYR OH : rot 20:sc= 0.0515 USER MOD Single : A 123 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00956) USER MOD Single : A 124 SER OG : rot 58:sc= 1.24 USER MOD Single : A 127 TYR OH : rot 180:sc=-0.00365 USER MOD Single : A 130 CYS SG : rot 180:sc= -0.66 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -13.939 -3.882 -5.042 1.00 0.00 N ATOM 107 CA VAL A 8 -12.764 -3.059 -4.744 1.00 0.00 C ATOM 108 C VAL A 8 -12.898 -2.358 -3.389 1.00 0.00 C ATOM 109 O VAL A 8 -11.925 -1.826 -2.858 1.00 0.00 O ATOM 110 CB VAL A 8 -12.523 -2.000 -5.848 1.00 0.00 C ATOM 111 CG1 VAL A 8 -12.301 -2.669 -7.205 1.00 0.00 C ATOM 112 CG2 VAL A 8 -13.683 -1.006 -5.911 1.00 0.00 C ATOM 0 HA VAL A 8 -11.909 -3.734 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.619 -1.446 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.134 -1.905 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.431 -3.323 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.180 -3.257 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.491 -0.272 -6.694 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.607 -1.539 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.779 -0.497 -4.952 1.00 0.00 H new ATOM 122 N ALA A 9 -14.108 -2.375 -2.828 1.00 0.00 N ATOM 123 CA ALA A 9 -14.375 -1.774 -1.517 1.00 0.00 C ATOM 124 C ALA A 9 -13.474 -2.378 -0.434 1.00 0.00 C ATOM 125 O ALA A 9 -13.361 -1.841 0.669 1.00 0.00 O ATOM 126 CB ALA A 9 -15.845 -1.954 -1.149 1.00 0.00 C ATOM 0 H ALA A 9 -14.926 -2.802 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.151 -0.709 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.034 -1.505 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.470 -1.469 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.083 -3.017 -1.111 1.00 0.00 H new ATOM 132 N SER A 10 -12.829 -3.494 -0.772 1.00 0.00 N ATOM 133 CA SER A 10 -11.915 -4.188 0.128 1.00 0.00 C ATOM 134 C SER A 10 -10.783 -3.275 0.614 1.00 0.00 C ATOM 135 O SER A 10 -10.178 -3.528 1.658 1.00 0.00 O ATOM 136 CB SER A 10 -11.347 -5.418 -0.588 1.00 0.00 C ATOM 137 OG SER A 10 -10.963 -5.099 -1.916 1.00 0.00 O ATOM 0 H SER A 10 -12.928 -3.942 -1.683 1.00 0.00 H new ATOM 0 HA SER A 10 -12.471 -4.498 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.486 -5.799 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.093 -6.212 -0.602 1.00 0.00 H new ATOM 0 HG SER A 10 -10.602 -5.898 -2.353 1.00 0.00 H new ATOM 143 N TRP A 11 -10.504 -2.211 -0.143 1.00 0.00 N ATOM 144 CA TRP A 11 -9.480 -1.238 0.246 1.00 0.00 C ATOM 145 C TRP A 11 -9.793 -0.652 1.622 1.00 0.00 C ATOM 146 O TRP A 11 -8.895 -0.408 2.425 1.00 0.00 O ATOM 147 CB TRP A 11 -9.393 -0.087 -0.765 1.00 0.00 C ATOM 148 CG TRP A 11 -9.152 -0.509 -2.182 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.428 -1.578 -2.629 1.00 0.00 C ATOM 150 CD2 TRP A 11 -9.629 0.167 -3.346 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.438 -1.610 -4.003 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.168 -0.546 -4.465 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.407 1.309 -3.544 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.462 -0.153 -5.768 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -10.698 1.700 -4.833 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.226 0.972 -5.932 1.00 0.00 C ATOM 0 H TRP A 11 -10.971 -2.002 -1.025 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.527 -1.766 0.273 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.321 0.484 -0.724 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.591 0.585 -0.460 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.922 -2.292 -1.996 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -7.978 -2.311 -4.584 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.774 1.876 -2.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.101 -0.714 -6.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.299 2.582 -4.998 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.470 1.305 -6.930 1.00 0.00 H new ATOM 167 N ALA A 12 -11.084 -0.448 1.885 1.00 0.00 N ATOM 168 CA ALA A 12 -11.541 0.197 3.116 1.00 0.00 C ATOM 169 C ALA A 12 -11.388 -0.722 4.328 1.00 0.00 C ATOM 170 O ALA A 12 -11.619 -0.302 5.468 1.00 0.00 O ATOM 171 CB ALA A 12 -12.993 0.639 2.966 1.00 0.00 C ATOM 0 H ALA A 12 -11.838 -0.723 1.255 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.914 1.072 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.325 1.118 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.075 1.345 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.619 -0.230 2.763 1.00 0.00 H new ATOM 177 N LEU A 13 -11.009 -1.974 4.080 1.00 0.00 N ATOM 178 CA LEU A 13 -10.797 -2.940 5.153 1.00 0.00 C ATOM 179 C LEU A 13 -9.425 -2.731 5.793 1.00 0.00 C ATOM 180 O LEU A 13 -9.291 -2.753 7.020 1.00 0.00 O ATOM 181 CB LEU A 13 -10.923 -4.377 4.622 1.00 0.00 C ATOM 182 CG LEU A 13 -12.291 -4.734 4.012 1.00 0.00 C ATOM 183 CD1 LEU A 13 -12.297 -6.171 3.491 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.412 -4.523 5.030 1.00 0.00 C ATOM 0 H LEU A 13 -10.843 -2.343 3.144 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.565 -2.784 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.154 -4.537 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.716 -5.068 5.439 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.468 -4.067 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.274 -6.399 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.531 -6.283 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.090 -6.857 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.369 -4.782 4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.239 -5.158 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.429 -3.479 5.342 1.00 0.00 H new ATOM 196 N SER A 14 -8.411 -2.515 4.960 1.00 0.00 N ATOM 197 CA SER A 14 -7.041 -2.319 5.432 1.00 0.00 C ATOM 198 C SER A 14 -6.238 -1.505 4.418 1.00 0.00 C ATOM 199 O SER A 14 -6.357 -1.720 3.210 1.00 0.00 O ATOM 200 CB SER A 14 -6.354 -3.671 5.666 1.00 0.00 C ATOM 201 OG SER A 14 -7.069 -4.466 6.603 1.00 0.00 O ATOM 0 H SER A 14 -8.513 -2.471 3.946 1.00 0.00 H new ATOM 0 HA SER A 14 -7.082 -1.773 6.375 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.273 -4.207 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.339 -3.506 6.027 1.00 0.00 H new ATOM 0 HG SER A 14 -6.606 -5.320 6.728 1.00 0.00 H new ATOM 207 N PHE A 15 -5.411 -0.585 4.917 1.00 0.00 N ATOM 208 CA PHE A 15 -4.562 0.237 4.056 1.00 0.00 C ATOM 209 C PHE A 15 -3.657 -0.647 3.209 1.00 0.00 C ATOM 210 O PHE A 15 -3.493 -0.419 2.017 1.00 0.00 O ATOM 211 CB PHE A 15 -3.719 1.210 4.895 1.00 0.00 C ATOM 212 CG PHE A 15 -2.765 2.050 4.076 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.195 2.687 2.918 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.442 2.206 4.465 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.328 3.456 2.169 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.573 2.974 3.717 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.017 3.600 2.568 1.00 0.00 C ATOM 0 H PHE A 15 -5.312 -0.391 5.913 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.204 0.819 3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.386 1.870 5.449 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.149 0.642 5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.221 2.579 2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.089 1.721 5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.677 3.944 1.271 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.455 3.086 4.030 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.337 4.202 1.983 1.00 0.00 H new ATOM 227 N GLU A 16 -3.073 -1.649 3.851 1.00 0.00 N ATOM 228 CA GLU A 16 -2.279 -2.667 3.177 1.00 0.00 C ATOM 229 C GLU A 16 -2.995 -3.184 1.924 1.00 0.00 C ATOM 230 O GLU A 16 -2.399 -3.265 0.852 1.00 0.00 O ATOM 231 CB GLU A 16 -2.011 -3.821 4.151 1.00 0.00 C ATOM 232 CG GLU A 16 -1.197 -4.968 3.567 1.00 0.00 C ATOM 233 CD GLU A 16 -1.040 -6.110 4.554 1.00 0.00 C ATOM 234 OE1 GLU A 16 -1.993 -6.904 4.705 1.00 0.00 O ATOM 235 OE2 GLU A 16 0.020 -6.205 5.205 1.00 0.00 O ATOM 0 H GLU A 16 -3.137 -1.779 4.861 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.334 -2.226 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.488 -3.429 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.966 -4.212 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.683 -5.334 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.212 -4.603 3.275 1.00 0.00 H new ATOM 242 N ARG A 17 -4.280 -3.507 2.064 1.00 0.00 N ATOM 243 CA ARG A 17 -5.070 -4.038 0.952 1.00 0.00 C ATOM 244 C ARG A 17 -5.098 -3.026 -0.200 1.00 0.00 C ATOM 245 O ARG A 17 -4.906 -3.386 -1.361 1.00 0.00 O ATOM 246 CB ARG A 17 -6.499 -4.373 1.430 1.00 0.00 C ATOM 247 CG ARG A 17 -7.173 -5.523 0.669 1.00 0.00 C ATOM 248 CD ARG A 17 -7.392 -5.202 -0.804 1.00 0.00 C ATOM 249 NE ARG A 17 -7.901 -6.354 -1.550 1.00 0.00 N ATOM 250 CZ ARG A 17 -7.911 -6.435 -2.880 1.00 0.00 C ATOM 251 NH1 ARG A 17 -7.433 -5.436 -3.614 1.00 0.00 N ATOM 252 NH2 ARG A 17 -8.396 -7.524 -3.468 1.00 0.00 N ATOM 0 H ARG A 17 -4.798 -3.410 2.938 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.609 -4.957 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.464 -4.627 2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.118 -3.481 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.559 -6.419 0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.132 -5.749 1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.095 -4.374 -0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.452 -4.871 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.271 -7.143 -1.019 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.057 -4.604 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.442 -5.501 -4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.758 -8.291 -2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.407 -7.592 -4.486 1.00 0.00 H new ATOM 266 N LEU A 18 -5.326 -1.760 0.140 1.00 0.00 N ATOM 267 CA LEU A 18 -5.320 -0.670 -0.840 1.00 0.00 C ATOM 268 C LEU A 18 -3.943 -0.526 -1.484 1.00 0.00 C ATOM 269 O LEU A 18 -3.808 -0.442 -2.704 1.00 0.00 O ATOM 270 CB LEU A 18 -5.693 0.655 -0.153 1.00 0.00 C ATOM 271 CG LEU A 18 -5.492 1.921 -1.010 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.487 1.964 -2.162 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.590 3.182 -0.154 1.00 0.00 C ATOM 0 H LEU A 18 -5.519 -1.459 1.095 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.051 -0.906 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.738 0.605 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.100 0.754 0.756 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.489 1.882 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.323 2.867 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.348 1.088 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.502 1.968 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.445 4.061 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.574 3.229 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.822 3.158 0.619 1.00 0.00 H new ATOM 285 N LEU A 19 -2.931 -0.518 -0.635 1.00 0.00 N ATOM 286 CA LEU A 19 -1.567 -0.202 -1.030 1.00 0.00 C ATOM 287 C LEU A 19 -0.939 -1.357 -1.815 1.00 0.00 C ATOM 288 O LEU A 19 0.046 -1.175 -2.527 1.00 0.00 O ATOM 289 CB LEU A 19 -0.749 0.120 0.229 1.00 0.00 C ATOM 290 CG LEU A 19 0.621 0.758 -0.018 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.481 2.050 -0.821 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.340 1.025 1.298 1.00 0.00 C ATOM 0 H LEU A 19 -3.032 -0.732 0.357 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.573 0.666 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.334 0.790 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.604 -0.802 0.792 1.00 0.00 H new ATOM 0 HG LEU A 19 1.219 0.055 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.467 2.486 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.017 1.832 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.141 2.756 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.311 1.478 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.743 1.703 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.482 0.086 1.832 1.00 0.00 H new ATOM 304 N GLN A 20 -1.522 -2.543 -1.674 1.00 0.00 N ATOM 305 CA GLN A 20 -1.072 -3.725 -2.411 1.00 0.00 C ATOM 306 C GLN A 20 -1.906 -3.916 -3.679 1.00 0.00 C ATOM 307 O GLN A 20 -1.668 -4.846 -4.453 1.00 0.00 O ATOM 308 CB GLN A 20 -1.154 -4.983 -1.520 1.00 0.00 C ATOM 309 CG GLN A 20 0.197 -5.488 -1.009 1.00 0.00 C ATOM 310 CD GLN A 20 0.992 -4.457 -0.214 1.00 0.00 C ATOM 311 OE1 GLN A 20 2.221 -4.481 -0.206 1.00 0.00 O ATOM 312 NE2 GLN A 20 0.306 -3.560 0.475 1.00 0.00 N ATOM 0 H GLN A 20 -2.312 -2.714 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.032 -3.573 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.794 -4.766 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.636 -5.781 -2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.031 -6.364 -0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.795 -5.814 -1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.714 -3.567 0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.797 -2.862 1.034 1.00 0.00 H new ATOM 321 N ASP A 21 -2.884 -3.036 -3.886 1.00 0.00 N ATOM 322 CA ASP A 21 -3.757 -3.109 -5.057 1.00 0.00 C ATOM 323 C ASP A 21 -3.355 -2.040 -6.076 1.00 0.00 C ATOM 324 O ASP A 21 -3.404 -0.847 -5.775 1.00 0.00 O ATOM 325 CB ASP A 21 -5.226 -2.923 -4.649 1.00 0.00 C ATOM 326 CG ASP A 21 -6.187 -3.180 -5.801 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.421 -2.260 -6.609 1.00 0.00 O ATOM 328 OD2 ASP A 21 -6.717 -4.308 -5.898 1.00 0.00 O ATOM 0 H ASP A 21 -3.092 -2.261 -3.256 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.647 -4.094 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.460 -3.599 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.371 -1.908 -4.278 1.00 0.00 H new ATOM 333 N PRO A 22 -2.938 -2.454 -7.291 1.00 0.00 N ATOM 334 CA PRO A 22 -2.480 -1.524 -8.337 1.00 0.00 C ATOM 335 C PRO A 22 -3.504 -0.435 -8.663 1.00 0.00 C ATOM 336 O PRO A 22 -3.154 0.745 -8.751 1.00 0.00 O ATOM 337 CB PRO A 22 -2.248 -2.436 -9.553 1.00 0.00 C ATOM 338 CG PRO A 22 -2.001 -3.786 -8.970 1.00 0.00 C ATOM 339 CD PRO A 22 -2.862 -3.861 -7.737 1.00 0.00 C ATOM 0 HA PRO A 22 -1.592 -0.975 -8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.114 -2.442 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.397 -2.098 -10.145 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.262 -4.572 -9.678 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.948 -3.918 -8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.849 -4.267 -7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.418 -4.502 -6.975 1.00 0.00 H new ATOM 347 N LEU A 23 -4.764 -0.835 -8.834 1.00 0.00 N ATOM 348 CA LEU A 23 -5.834 0.101 -9.181 1.00 0.00 C ATOM 349 C LEU A 23 -5.987 1.135 -8.065 1.00 0.00 C ATOM 350 O LEU A 23 -6.000 2.345 -8.315 1.00 0.00 O ATOM 351 CB LEU A 23 -7.154 -0.673 -9.408 1.00 0.00 C ATOM 352 CG LEU A 23 -8.290 0.079 -10.146 1.00 0.00 C ATOM 353 CD1 LEU A 23 -9.402 -0.893 -10.540 1.00 0.00 C ATOM 354 CD2 LEU A 23 -8.866 1.213 -9.296 1.00 0.00 C ATOM 0 H LEU A 23 -5.069 -1.803 -8.738 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.584 0.623 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.924 -1.577 -9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.533 -0.990 -8.436 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.859 0.520 -11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.193 -0.350 -11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.997 -1.661 -11.199 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.810 -1.362 -9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.660 1.715 -9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.271 0.804 -8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.078 1.929 -9.062 1.00 0.00 H new ATOM 366 N GLY A 24 -6.083 0.641 -6.835 1.00 0.00 N ATOM 367 CA GLY A 24 -6.229 1.504 -5.682 1.00 0.00 C ATOM 368 C GLY A 24 -5.078 2.476 -5.538 1.00 0.00 C ATOM 369 O GLY A 24 -5.280 3.694 -5.509 1.00 0.00 O ATOM 0 H GLY A 24 -6.062 -0.355 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.163 2.061 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.300 0.894 -4.782 1.00 0.00 H new ATOM 373 N LEU A 25 -3.867 1.932 -5.455 1.00 0.00 N ATOM 374 CA LEU A 25 -2.654 2.733 -5.308 1.00 0.00 C ATOM 375 C LEU A 25 -2.554 3.778 -6.427 1.00 0.00 C ATOM 376 O LEU A 25 -2.137 4.911 -6.190 1.00 0.00 O ATOM 377 CB LEU A 25 -1.414 1.813 -5.316 1.00 0.00 C ATOM 378 CG LEU A 25 -0.237 2.241 -4.412 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.917 1.249 -4.528 1.00 0.00 C ATOM 380 CD2 LEU A 25 0.240 3.657 -4.732 1.00 0.00 C ATOM 0 H LEU A 25 -3.698 0.927 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.697 3.261 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.728 0.813 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.049 1.740 -6.341 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.599 2.242 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.737 1.567 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.578 0.259 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.261 1.211 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.069 3.919 -4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.572 3.704 -5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.579 4.360 -4.581 1.00 0.00 H new ATOM 392 N ALA A 26 -2.956 3.391 -7.639 1.00 0.00 N ATOM 393 CA ALA A 26 -2.875 4.273 -8.804 1.00 0.00 C ATOM 394 C ALA A 26 -3.654 5.568 -8.572 1.00 0.00 C ATOM 395 O ALA A 26 -3.101 6.664 -8.674 1.00 0.00 O ATOM 396 CB ALA A 26 -3.388 3.559 -10.050 1.00 0.00 C ATOM 0 H ALA A 26 -3.342 2.469 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.827 4.533 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.321 4.229 -10.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.784 2.671 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.427 3.266 -9.899 1.00 0.00 H new ATOM 402 N TYR A 27 -4.935 5.436 -8.247 1.00 0.00 N ATOM 403 CA TYR A 27 -5.785 6.601 -8.016 1.00 0.00 C ATOM 404 C TYR A 27 -5.425 7.282 -6.702 1.00 0.00 C ATOM 405 O TYR A 27 -5.581 8.499 -6.556 1.00 0.00 O ATOM 406 CB TYR A 27 -7.264 6.202 -8.043 1.00 0.00 C ATOM 407 CG TYR A 27 -7.751 5.869 -9.440 1.00 0.00 C ATOM 408 CD1 TYR A 27 -7.613 4.587 -9.965 1.00 0.00 C ATOM 409 CD2 TYR A 27 -8.327 6.846 -10.243 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.038 4.292 -11.246 1.00 0.00 C ATOM 411 CE2 TYR A 27 -8.749 6.558 -11.525 1.00 0.00 C ATOM 412 CZ TYR A 27 -8.603 5.281 -12.022 1.00 0.00 C ATOM 413 OH TYR A 27 -9.013 4.996 -13.305 1.00 0.00 O ATOM 0 H TYR A 27 -5.407 4.539 -8.138 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.613 7.316 -8.820 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.416 5.340 -7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.864 7.016 -7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.167 3.811 -9.361 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.446 7.848 -9.857 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.928 3.291 -11.637 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.192 7.330 -12.136 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.390 5.802 -13.715 1.00 0.00 H new ATOM 423 N PHE A 28 -4.919 6.496 -5.759 1.00 0.00 N ATOM 424 CA PHE A 28 -4.458 7.025 -4.485 1.00 0.00 C ATOM 425 C PHE A 28 -3.355 8.056 -4.718 1.00 0.00 C ATOM 426 O PHE A 28 -3.484 9.210 -4.316 1.00 0.00 O ATOM 427 CB PHE A 28 -3.966 5.880 -3.585 1.00 0.00 C ATOM 428 CG PHE A 28 -3.420 6.327 -2.251 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.128 7.214 -1.454 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.199 5.853 -1.795 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.629 7.620 -0.232 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.697 6.254 -0.575 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.411 7.139 0.208 1.00 0.00 C ATOM 0 H PHE A 28 -4.818 5.486 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.286 7.521 -3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.791 5.189 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.191 5.326 -4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.081 7.592 -1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.635 5.161 -2.403 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.190 8.312 0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.745 5.876 -0.232 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.018 7.455 1.163 1.00 0.00 H new ATOM 443 N THR A 29 -2.293 7.643 -5.408 1.00 0.00 N ATOM 444 CA THR A 29 -1.166 8.527 -5.688 1.00 0.00 C ATOM 445 C THR A 29 -1.560 9.612 -6.694 1.00 0.00 C ATOM 446 O THR A 29 -0.901 10.652 -6.788 1.00 0.00 O ATOM 447 CB THR A 29 0.065 7.743 -6.217 1.00 0.00 C ATOM 448 OG1 THR A 29 1.187 8.627 -6.367 1.00 0.00 O ATOM 449 CG2 THR A 29 -0.228 7.071 -7.555 1.00 0.00 C ATOM 0 H THR A 29 -2.191 6.700 -5.783 1.00 0.00 H new ATOM 0 HA THR A 29 -0.889 8.998 -4.745 1.00 0.00 H new ATOM 0 HB THR A 29 0.297 6.968 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.872 9.555 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.657 6.532 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.056 6.372 -7.437 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.495 7.829 -8.292 1.00 0.00 H new ATOM 457 N GLU A 30 -2.637 9.366 -7.438 1.00 0.00 N ATOM 458 CA GLU A 30 -3.114 10.314 -8.439 1.00 0.00 C ATOM 459 C GLU A 30 -3.504 11.640 -7.786 1.00 0.00 C ATOM 460 O GLU A 30 -2.953 12.691 -8.124 1.00 0.00 O ATOM 461 CB GLU A 30 -4.298 9.724 -9.217 1.00 0.00 C ATOM 462 CG GLU A 30 -4.836 10.633 -10.317 1.00 0.00 C ATOM 463 CD GLU A 30 -5.868 9.941 -11.199 1.00 0.00 C ATOM 464 OE1 GLU A 30 -5.461 9.174 -12.102 1.00 0.00 O ATOM 465 OE2 GLU A 30 -7.079 10.167 -11.003 1.00 0.00 O ATOM 0 H GLU A 30 -3.196 8.516 -7.365 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.303 10.507 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.991 8.777 -9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.104 9.502 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.285 11.517 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.007 10.977 -10.936 1.00 0.00 H new ATOM 472 N PHE A 31 -4.436 11.590 -6.830 1.00 0.00 N ATOM 473 CA PHE A 31 -4.909 12.811 -6.173 1.00 0.00 C ATOM 474 C PHE A 31 -4.066 13.130 -4.933 1.00 0.00 C ATOM 475 O PHE A 31 -4.187 14.206 -4.352 1.00 0.00 O ATOM 476 CB PHE A 31 -6.404 12.704 -5.809 1.00 0.00 C ATOM 477 CG PHE A 31 -6.713 11.878 -4.586 1.00 0.00 C ATOM 478 CD1 PHE A 31 -6.635 12.431 -3.311 1.00 0.00 C ATOM 479 CD2 PHE A 31 -7.101 10.555 -4.711 1.00 0.00 C ATOM 480 CE1 PHE A 31 -6.934 11.677 -2.194 1.00 0.00 C ATOM 481 CE2 PHE A 31 -7.400 9.802 -3.599 1.00 0.00 C ATOM 482 CZ PHE A 31 -7.317 10.361 -2.339 1.00 0.00 C ATOM 0 H PHE A 31 -4.873 10.730 -6.498 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.795 13.633 -6.879 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.797 13.709 -5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.938 12.279 -6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.337 13.462 -3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.170 10.109 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.868 12.117 -1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.700 8.771 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.552 9.767 -1.468 1.00 0.00 H new ATOM 492 N LEU A 32 -3.207 12.190 -4.545 1.00 0.00 N ATOM 493 CA LEU A 32 -2.322 12.354 -3.384 1.00 0.00 C ATOM 494 C LEU A 32 -1.371 13.552 -3.563 1.00 0.00 C ATOM 495 O LEU A 32 -0.700 13.983 -2.618 1.00 0.00 O ATOM 496 CB LEU A 32 -1.539 11.048 -3.173 1.00 0.00 C ATOM 497 CG LEU A 32 -0.535 11.010 -2.013 1.00 0.00 C ATOM 498 CD1 LEU A 32 -1.179 11.422 -0.700 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.072 9.616 -1.886 1.00 0.00 C ATOM 0 H LEU A 32 -3.102 11.294 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.924 12.565 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.259 10.243 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.000 10.825 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 32 0.255 11.727 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.437 11.383 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.565 12.438 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.998 10.742 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.783 9.602 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.719 8.891 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.587 9.358 -2.811 1.00 0.00 H new ATOM 511 N LYS A 33 -1.326 14.091 -4.779 1.00 0.00 N ATOM 512 CA LYS A 33 -0.500 15.259 -5.079 1.00 0.00 C ATOM 513 C LYS A 33 -1.083 16.521 -4.427 1.00 0.00 C ATOM 514 O LYS A 33 -0.378 17.513 -4.242 1.00 0.00 O ATOM 515 CB LYS A 33 -0.378 15.442 -6.602 1.00 0.00 C ATOM 516 CG LYS A 33 0.643 16.497 -7.024 1.00 0.00 C ATOM 517 CD LYS A 33 0.805 16.551 -8.542 1.00 0.00 C ATOM 518 CE LYS A 33 1.896 17.529 -8.971 1.00 0.00 C ATOM 519 NZ LYS A 33 1.567 18.936 -8.616 1.00 0.00 N ATOM 0 H LYS A 33 -1.854 13.736 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 33 0.495 15.096 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.104 14.487 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.354 15.715 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.330 17.474 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.606 16.277 -6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.044 15.555 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.142 16.843 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.838 17.249 -8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.045 17.454 -10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.313 19.567 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.657 19.199 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.501 19.027 -7.582 1.00 0.00 H new ATOM 533 N LYS A 34 -2.369 16.467 -4.060 1.00 0.00 N ATOM 534 CA LYS A 34 -3.045 17.598 -3.414 1.00 0.00 C ATOM 535 C LYS A 34 -2.335 17.983 -2.114 1.00 0.00 C ATOM 536 O LYS A 34 -1.958 19.139 -1.911 1.00 0.00 O ATOM 537 CB LYS A 34 -4.514 17.258 -3.114 1.00 0.00 C ATOM 538 CG LYS A 34 -5.375 17.023 -4.354 1.00 0.00 C ATOM 539 CD LYS A 34 -6.777 16.544 -3.980 1.00 0.00 C ATOM 540 CE LYS A 34 -7.653 16.321 -5.209 1.00 0.00 C ATOM 541 NZ LYS A 34 -7.933 17.588 -5.936 1.00 0.00 N ATOM 0 H LYS A 34 -2.963 15.650 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.010 18.442 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.547 16.365 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.950 18.070 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.446 17.946 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.896 16.284 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.704 15.615 -3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.249 17.279 -3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.160 15.619 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.594 15.863 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.650 17.416 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.286 18.301 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.059 17.934 -6.381 1.00 0.00 H new ATOM 555 N GLU A 35 -2.161 17.004 -1.234 1.00 0.00 N ATOM 556 CA GLU A 35 -1.484 17.225 0.044 1.00 0.00 C ATOM 557 C GLU A 35 0.033 17.149 -0.131 1.00 0.00 C ATOM 558 O GLU A 35 0.788 17.312 0.830 1.00 0.00 O ATOM 559 CB GLU A 35 -1.961 16.198 1.077 1.00 0.00 C ATOM 560 CG GLU A 35 -1.684 14.755 0.678 1.00 0.00 C ATOM 561 CD GLU A 35 -2.354 13.749 1.598 1.00 0.00 C ATOM 562 OE1 GLU A 35 -1.747 13.369 2.623 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.501 13.343 1.309 1.00 0.00 O ATOM 0 H GLU A 35 -2.479 16.046 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.734 18.223 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.474 16.402 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.032 16.323 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.030 14.593 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.608 14.582 0.681 1.00 0.00 H new ATOM 570 N PHE A 36 0.459 16.904 -1.371 1.00 0.00 N ATOM 571 CA PHE A 36 1.875 16.861 -1.733 1.00 0.00 C ATOM 572 C PHE A 36 2.625 15.826 -0.890 1.00 0.00 C ATOM 573 O PHE A 36 3.645 16.124 -0.264 1.00 0.00 O ATOM 574 CB PHE A 36 2.504 18.262 -1.599 1.00 0.00 C ATOM 575 CG PHE A 36 3.912 18.358 -2.139 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.168 18.135 -3.485 1.00 0.00 C ATOM 577 CD2 PHE A 36 4.979 18.663 -1.302 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.454 18.216 -3.984 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.266 18.743 -1.797 1.00 0.00 C ATOM 580 CZ PHE A 36 6.503 18.520 -3.140 1.00 0.00 C ATOM 0 H PHE A 36 -0.171 16.729 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 36 1.958 16.552 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.875 18.983 -2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.509 18.548 -0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.352 17.895 -4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.800 18.840 -0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.638 18.042 -5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.086 18.980 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.508 18.584 -3.529 1.00 0.00 H new ATOM 590 N SER A 37 2.090 14.613 -0.851 1.00 0.00 N ATOM 591 CA SER A 37 2.767 13.495 -0.205 1.00 0.00 C ATOM 592 C SER A 37 2.768 12.280 -1.134 1.00 0.00 C ATOM 593 O SER A 37 3.015 11.149 -0.708 1.00 0.00 O ATOM 594 CB SER A 37 2.099 13.166 1.138 1.00 0.00 C ATOM 595 OG SER A 37 0.715 12.937 0.975 1.00 0.00 O ATOM 0 H SER A 37 1.186 14.377 -1.260 1.00 0.00 H new ATOM 0 HA SER A 37 3.801 13.773 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.568 12.284 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.255 13.988 1.836 1.00 0.00 H new ATOM 0 HG SER A 37 0.249 13.139 1.813 1.00 0.00 H new ATOM 601 N ALA A 38 2.531 12.535 -2.426 1.00 0.00 N ATOM 602 CA ALA A 38 2.549 11.484 -3.448 1.00 0.00 C ATOM 603 C ALA A 38 3.955 10.916 -3.587 1.00 0.00 C ATOM 604 O ALA A 38 4.175 9.867 -4.194 1.00 0.00 O ATOM 605 CB ALA A 38 2.054 12.034 -4.782 1.00 0.00 C ATOM 0 H ALA A 38 2.324 13.465 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 38 1.880 10.680 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.073 11.243 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.034 12.402 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.701 12.851 -5.101 1.00 0.00 H new ATOM 611 N GLU A 39 4.895 11.631 -2.997 1.00 0.00 N ATOM 612 CA GLU A 39 6.297 11.246 -2.993 1.00 0.00 C ATOM 613 C GLU A 39 6.524 10.136 -1.972 1.00 0.00 C ATOM 614 O GLU A 39 7.400 9.286 -2.141 1.00 0.00 O ATOM 615 CB GLU A 39 7.179 12.463 -2.661 1.00 0.00 C ATOM 616 CG GLU A 39 7.143 13.579 -3.711 1.00 0.00 C ATOM 617 CD GLU A 39 5.738 14.099 -4.005 1.00 0.00 C ATOM 618 OE1 GLU A 39 4.996 14.405 -3.045 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.370 14.192 -5.198 1.00 0.00 O ATOM 0 H GLU A 39 4.707 12.503 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 39 6.569 10.879 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.864 12.874 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.209 12.127 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.764 14.407 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.585 13.210 -4.636 1.00 0.00 H new ATOM 626 N ASN A 40 5.700 10.136 -0.926 1.00 0.00 N ATOM 627 CA ASN A 40 5.825 9.169 0.162 1.00 0.00 C ATOM 628 C ASN A 40 5.526 7.754 -0.344 1.00 0.00 C ATOM 629 O ASN A 40 6.266 6.814 -0.048 1.00 0.00 O ATOM 630 CB ASN A 40 4.908 9.565 1.348 1.00 0.00 C ATOM 631 CG ASN A 40 3.730 8.623 1.574 1.00 0.00 C ATOM 632 OD1 ASN A 40 3.837 7.655 2.316 1.00 0.00 O ATOM 633 ND2 ASN A 40 2.595 8.911 0.953 1.00 0.00 N ATOM 0 H ASN A 40 4.934 10.799 -0.809 1.00 0.00 H new ATOM 0 HA ASN A 40 6.852 9.176 0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.507 9.603 2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.525 10.571 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.776 8.318 1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.541 9.726 0.342 1.00 0.00 H new ATOM 640 N VAL A 41 4.463 7.611 -1.138 1.00 0.00 N ATOM 641 CA VAL A 41 4.113 6.312 -1.704 1.00 0.00 C ATOM 642 C VAL A 41 5.122 5.905 -2.769 1.00 0.00 C ATOM 643 O VAL A 41 5.370 4.725 -2.970 1.00 0.00 O ATOM 644 CB VAL A 41 2.689 6.288 -2.314 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.651 6.632 -1.257 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.581 7.225 -3.515 1.00 0.00 C ATOM 0 H VAL A 41 3.837 8.372 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 41 4.132 5.601 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 41 2.493 5.277 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.657 6.610 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.701 5.904 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.850 7.628 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.569 7.184 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.806 8.245 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.291 6.916 -4.282 1.00 0.00 H new ATOM 656 N THR A 42 5.704 6.892 -3.447 1.00 0.00 N ATOM 657 CA THR A 42 6.729 6.627 -4.446 1.00 0.00 C ATOM 658 C THR A 42 7.979 6.052 -3.776 1.00 0.00 C ATOM 659 O THR A 42 8.615 5.139 -4.301 1.00 0.00 O ATOM 660 CB THR A 42 7.087 7.908 -5.237 1.00 0.00 C ATOM 661 OG1 THR A 42 5.897 8.453 -5.827 1.00 0.00 O ATOM 662 CG2 THR A 42 8.110 7.619 -6.334 1.00 0.00 C ATOM 0 H THR A 42 5.482 7.879 -3.321 1.00 0.00 H new ATOM 0 HA THR A 42 6.333 5.897 -5.152 1.00 0.00 H new ATOM 0 HB THR A 42 7.526 8.624 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.371 8.911 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.339 8.540 -6.870 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.022 7.224 -5.886 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.700 6.887 -7.030 1.00 0.00 H new ATOM 670 N PHE A 43 8.305 6.584 -2.598 1.00 0.00 N ATOM 671 CA PHE A 43 9.417 6.076 -1.798 1.00 0.00 C ATOM 672 C PHE A 43 9.137 4.640 -1.351 1.00 0.00 C ATOM 673 O PHE A 43 10.041 3.801 -1.304 1.00 0.00 O ATOM 674 CB PHE A 43 9.645 6.984 -0.579 1.00 0.00 C ATOM 675 CG PHE A 43 10.723 6.499 0.361 1.00 0.00 C ATOM 676 CD1 PHE A 43 12.063 6.648 0.039 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.395 5.890 1.565 1.00 0.00 C ATOM 678 CE1 PHE A 43 13.050 6.203 0.894 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.380 5.442 2.425 1.00 0.00 C ATOM 680 CZ PHE A 43 12.710 5.599 2.088 1.00 0.00 C ATOM 0 H PHE A 43 7.811 7.370 -2.176 1.00 0.00 H new ATOM 0 HA PHE A 43 10.320 6.076 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.905 7.983 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.710 7.073 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.338 7.119 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.356 5.765 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.090 6.327 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.110 4.970 3.358 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.483 5.250 2.757 1.00 0.00 H new ATOM 690 N TRP A 44 7.875 4.369 -1.029 1.00 0.00 N ATOM 691 CA TRP A 44 7.456 3.036 -0.612 1.00 0.00 C ATOM 692 C TRP A 44 7.529 2.065 -1.792 1.00 0.00 C ATOM 693 O TRP A 44 8.120 0.987 -1.690 1.00 0.00 O ATOM 694 CB TRP A 44 6.033 3.081 -0.031 1.00 0.00 C ATOM 695 CG TRP A 44 5.584 1.775 0.564 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.787 1.342 1.847 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.854 0.734 -0.101 1.00 0.00 C ATOM 698 NE1 TRP A 44 5.230 0.098 2.017 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.652 -0.297 0.836 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.352 0.576 -1.396 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.972 -1.469 0.518 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.677 -0.589 -1.711 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.491 -1.596 -0.757 1.00 0.00 C ATOM 0 H TRP A 44 7.123 5.058 -1.049 1.00 0.00 H new ATOM 0 HA TRP A 44 8.132 2.682 0.166 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.987 3.855 0.735 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.337 3.370 -0.818 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.308 1.897 2.613 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.244 -0.444 2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.489 1.350 -2.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.829 -2.250 1.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.287 -0.724 -2.709 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.956 -2.493 -1.033 1.00 0.00 H new ATOM 714 N LYS A 45 6.947 2.471 -2.921 1.00 0.00 N ATOM 715 CA LYS A 45 6.945 1.656 -4.136 1.00 0.00 C ATOM 716 C LYS A 45 8.367 1.431 -4.635 1.00 0.00 C ATOM 717 O LYS A 45 8.658 0.427 -5.277 1.00 0.00 O ATOM 718 CB LYS A 45 6.105 2.317 -5.237 1.00 0.00 C ATOM 719 CG LYS A 45 4.624 2.452 -4.894 1.00 0.00 C ATOM 720 CD LYS A 45 3.828 3.076 -6.038 1.00 0.00 C ATOM 721 CE LYS A 45 3.859 2.203 -7.288 1.00 0.00 C ATOM 722 NZ LYS A 45 3.134 2.827 -8.426 1.00 0.00 N ATOM 0 H LYS A 45 6.468 3.366 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 45 6.501 0.692 -3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.511 3.307 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.203 1.735 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.215 1.469 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.513 3.064 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.795 3.225 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.236 4.060 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.894 2.020 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.414 1.234 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.181 2.199 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.139 2.979 -8.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.574 3.740 -8.659 1.00 0.00 H new ATOM 736 N ALA A 46 9.252 2.377 -4.339 1.00 0.00 N ATOM 737 CA ALA A 46 10.661 2.237 -4.686 1.00 0.00 C ATOM 738 C ALA A 46 11.267 1.036 -3.965 1.00 0.00 C ATOM 739 O ALA A 46 12.147 0.361 -4.493 1.00 0.00 O ATOM 740 CB ALA A 46 11.423 3.513 -4.343 1.00 0.00 C ATOM 0 H ALA A 46 9.019 3.247 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 46 10.741 2.070 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.473 3.392 -4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.002 4.349 -4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.339 3.711 -3.274 1.00 0.00 H new ATOM 746 N CYS A 47 10.776 0.770 -2.755 1.00 0.00 N ATOM 747 CA CYS A 47 11.234 -0.374 -1.973 1.00 0.00 C ATOM 748 C CYS A 47 10.463 -1.632 -2.366 1.00 0.00 C ATOM 749 O CYS A 47 10.984 -2.745 -2.275 1.00 0.00 O ATOM 750 CB CYS A 47 11.074 -0.102 -0.478 1.00 0.00 C ATOM 751 SG CYS A 47 11.759 -1.394 0.587 1.00 0.00 S ATOM 0 H CYS A 47 10.060 1.333 -2.296 1.00 0.00 H new ATOM 0 HA CYS A 47 12.291 -0.532 -2.185 1.00 0.00 H new ATOM 0 HB2 CYS A 47 11.557 0.845 -0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.014 0.015 -0.253 1.00 0.00 H new ATOM 0 HG CYS A 47 11.786 -2.521 -0.061 1.00 0.00 H new ATOM 757 N GLU A 48 9.219 -1.446 -2.797 1.00 0.00 N ATOM 758 CA GLU A 48 8.403 -2.544 -3.309 1.00 0.00 C ATOM 759 C GLU A 48 9.049 -3.121 -4.569 1.00 0.00 C ATOM 760 O GLU A 48 9.217 -4.334 -4.699 1.00 0.00 O ATOM 761 CB GLU A 48 6.957 -2.046 -3.555 1.00 0.00 C ATOM 762 CG GLU A 48 6.088 -2.933 -4.456 1.00 0.00 C ATOM 763 CD GLU A 48 6.261 -2.641 -5.947 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.920 -1.516 -6.380 1.00 0.00 O ATOM 765 OE2 GLU A 48 6.741 -3.531 -6.682 1.00 0.00 O ATOM 0 H GLU A 48 8.751 -0.540 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 48 8.348 -3.350 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.460 -1.943 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.006 -1.051 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.332 -3.979 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.041 -2.796 -4.186 1.00 0.00 H new ATOM 772 N ARG A 49 9.452 -2.233 -5.471 1.00 0.00 N ATOM 773 CA ARG A 49 10.145 -2.628 -6.694 1.00 0.00 C ATOM 774 C ARG A 49 11.569 -3.089 -6.369 1.00 0.00 C ATOM 775 O ARG A 49 12.190 -3.833 -7.129 1.00 0.00 O ATOM 776 CB ARG A 49 10.170 -1.454 -7.686 1.00 0.00 C ATOM 777 CG ARG A 49 10.713 -1.814 -9.065 1.00 0.00 C ATOM 778 CD ARG A 49 10.668 -0.622 -10.014 1.00 0.00 C ATOM 779 NE ARG A 49 11.536 0.470 -9.565 1.00 0.00 N ATOM 780 CZ ARG A 49 11.440 1.731 -9.982 1.00 0.00 C ATOM 781 NH1 ARG A 49 10.487 2.080 -10.840 1.00 0.00 N ATOM 782 NH2 ARG A 49 12.304 2.640 -9.542 1.00 0.00 N ATOM 0 H ARG A 49 9.310 -1.227 -5.378 1.00 0.00 H new ATOM 0 HA ARG A 49 9.610 -3.460 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.158 -1.064 -7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.777 -0.651 -7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.740 -2.167 -8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.131 -2.635 -9.483 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.972 -0.941 -11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.643 -0.261 -10.094 1.00 0.00 H new ATOM 0 HE ARG A 49 12.264 0.249 -8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.827 1.381 -11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.416 3.047 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.038 2.371 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.233 3.607 -9.860 1.00 0.00 H new ATOM 796 N PHE A 50 12.071 -2.641 -5.222 1.00 0.00 N ATOM 797 CA PHE A 50 13.400 -3.018 -4.748 1.00 0.00 C ATOM 798 C PHE A 50 13.411 -4.486 -4.308 1.00 0.00 C ATOM 799 O PHE A 50 14.333 -5.235 -4.630 1.00 0.00 O ATOM 800 CB PHE A 50 13.810 -2.093 -3.592 1.00 0.00 C ATOM 801 CG PHE A 50 15.250 -2.208 -3.159 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.278 -1.851 -4.020 1.00 0.00 C ATOM 803 CD2 PHE A 50 15.577 -2.656 -1.887 1.00 0.00 C ATOM 804 CE1 PHE A 50 17.597 -1.940 -3.624 1.00 0.00 C ATOM 805 CE2 PHE A 50 16.894 -2.744 -1.487 1.00 0.00 C ATOM 806 CZ PHE A 50 17.907 -2.387 -2.355 1.00 0.00 C ATOM 0 H PHE A 50 11.571 -2.009 -4.597 1.00 0.00 H new ATOM 0 HA PHE A 50 14.121 -2.907 -5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 50 13.617 -1.062 -3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.171 -2.304 -2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.043 -1.499 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.791 -2.939 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.386 -1.660 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.133 -3.093 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 50 18.938 -2.457 -2.042 1.00 0.00 H new ATOM 816 N GLN A 51 12.366 -4.898 -3.585 1.00 0.00 N ATOM 817 CA GLN A 51 12.235 -6.291 -3.149 1.00 0.00 C ATOM 818 C GLN A 51 11.773 -7.174 -4.313 1.00 0.00 C ATOM 819 O GLN A 51 11.856 -8.404 -4.248 1.00 0.00 O ATOM 820 CB GLN A 51 11.263 -6.411 -1.963 1.00 0.00 C ATOM 821 CG GLN A 51 9.850 -5.926 -2.264 1.00 0.00 C ATOM 822 CD GLN A 51 8.894 -6.101 -1.096 1.00 0.00 C ATOM 823 OE1 GLN A 51 9.295 -6.071 0.069 1.00 0.00 O ATOM 824 NE2 GLN A 51 7.620 -6.283 -1.402 1.00 0.00 N ATOM 0 H GLN A 51 11.602 -4.290 -3.290 1.00 0.00 H new ATOM 0 HA GLN A 51 13.215 -6.635 -2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.218 -7.454 -1.648 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.660 -5.841 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.886 -4.872 -2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.463 -6.469 -3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.328 -6.302 -2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.930 -6.405 -0.661 1.00 0.00 H new ATOM 833 N GLN A 52 11.279 -6.534 -5.376 1.00 0.00 N ATOM 834 CA GLN A 52 10.935 -7.230 -6.616 1.00 0.00 C ATOM 835 C GLN A 52 12.202 -7.793 -7.261 1.00 0.00 C ATOM 836 O GLN A 52 12.161 -8.793 -7.984 1.00 0.00 O ATOM 837 CB GLN A 52 10.224 -6.271 -7.588 1.00 0.00 C ATOM 838 CG GLN A 52 9.892 -6.887 -8.943 1.00 0.00 C ATOM 839 CD GLN A 52 9.325 -5.878 -9.928 1.00 0.00 C ATOM 840 OE1 GLN A 52 8.110 -5.685 -10.015 1.00 0.00 O ATOM 841 NE2 GLN A 52 10.201 -5.227 -10.678 1.00 0.00 N ATOM 0 H GLN A 52 11.108 -5.529 -5.401 1.00 0.00 H new ATOM 0 HA GLN A 52 10.258 -8.052 -6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.302 -5.920 -7.125 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.855 -5.396 -7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.793 -7.332 -9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.173 -7.694 -8.803 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.198 -5.415 -10.576 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.878 -4.538 -11.357 1.00 0.00 H new ATOM 850 N ILE A 53 13.325 -7.140 -6.979 1.00 0.00 N ATOM 851 CA ILE A 53 14.626 -7.557 -7.489 1.00 0.00 C ATOM 852 C ILE A 53 15.020 -8.913 -6.889 1.00 0.00 C ATOM 853 O ILE A 53 14.952 -9.094 -5.673 1.00 0.00 O ATOM 854 CB ILE A 53 15.702 -6.494 -7.153 1.00 0.00 C ATOM 855 CG1 ILE A 53 15.288 -5.128 -7.732 1.00 0.00 C ATOM 856 CG2 ILE A 53 17.074 -6.917 -7.679 1.00 0.00 C ATOM 857 CD1 ILE A 53 16.147 -3.971 -7.265 1.00 0.00 C ATOM 0 H ILE A 53 13.358 -6.307 -6.391 1.00 0.00 H new ATOM 0 HA ILE A 53 14.559 -7.657 -8.572 1.00 0.00 H new ATOM 0 HB ILE A 53 15.778 -6.406 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.328 -5.180 -8.820 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.251 -4.930 -7.460 1.00 0.00 H new ATOM 0 HG21 ILE A 53 17.811 -6.153 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 53 17.363 -7.863 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.028 -7.037 -8.761 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.790 -3.046 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.089 -3.889 -6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 53 17.182 -4.144 -7.561 1.00 0.00 H new ATOM 869 N PRO A 54 15.455 -9.877 -7.730 1.00 0.00 N ATOM 870 CA PRO A 54 15.744 -11.257 -7.290 1.00 0.00 C ATOM 871 C PRO A 54 17.018 -11.392 -6.438 1.00 0.00 C ATOM 872 O PRO A 54 17.609 -12.469 -6.380 1.00 0.00 O ATOM 873 CB PRO A 54 15.900 -12.014 -8.616 1.00 0.00 C ATOM 874 CG PRO A 54 16.379 -10.983 -9.577 1.00 0.00 C ATOM 875 CD PRO A 54 15.679 -9.709 -9.184 1.00 0.00 C ATOM 0 HA PRO A 54 14.957 -11.636 -6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.613 -12.833 -8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.954 -12.449 -8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.462 -10.869 -9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.139 -11.262 -10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.290 -8.832 -9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.740 -9.583 -9.724 1.00 0.00 H new ATOM 883 N ALA A 55 17.424 -10.304 -5.778 1.00 0.00 N ATOM 884 CA ALA A 55 18.563 -10.307 -4.852 1.00 0.00 C ATOM 885 C ALA A 55 19.894 -10.606 -5.555 1.00 0.00 C ATOM 886 O ALA A 55 20.711 -9.703 -5.758 1.00 0.00 O ATOM 887 CB ALA A 55 18.326 -11.295 -3.710 1.00 0.00 C ATOM 0 H ALA A 55 16.972 -9.394 -5.870 1.00 0.00 H new ATOM 0 HA ALA A 55 18.639 -9.300 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.181 -11.282 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 55 17.427 -11.010 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.200 -12.298 -4.117 1.00 0.00 H new ATOM 893 N SER A 56 20.089 -11.870 -5.935 1.00 0.00 N ATOM 894 CA SER A 56 21.338 -12.346 -6.534 1.00 0.00 C ATOM 895 C SER A 56 21.789 -11.467 -7.706 1.00 0.00 C ATOM 896 O SER A 56 22.977 -11.417 -8.032 1.00 0.00 O ATOM 897 CB SER A 56 21.158 -13.790 -7.004 1.00 0.00 C ATOM 898 OG SER A 56 20.608 -14.596 -5.972 1.00 0.00 O ATOM 0 H SER A 56 19.381 -12.597 -5.835 1.00 0.00 H new ATOM 0 HA SER A 56 22.115 -12.293 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.505 -13.814 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.120 -14.198 -7.315 1.00 0.00 H new ATOM 0 HG SER A 56 20.500 -15.514 -6.296 1.00 0.00 H new ATOM 904 N ASP A 57 20.834 -10.781 -8.334 1.00 0.00 N ATOM 905 CA ASP A 57 21.138 -9.842 -9.413 1.00 0.00 C ATOM 906 C ASP A 57 22.176 -8.821 -8.941 1.00 0.00 C ATOM 907 O ASP A 57 23.219 -8.644 -9.569 1.00 0.00 O ATOM 908 CB ASP A 57 19.863 -9.116 -9.872 1.00 0.00 C ATOM 909 CG ASP A 57 20.101 -8.238 -11.091 1.00 0.00 C ATOM 910 OD1 ASP A 57 20.655 -7.137 -10.935 1.00 0.00 O ATOM 911 OD2 ASP A 57 19.743 -8.652 -12.215 1.00 0.00 O ATOM 0 H ASP A 57 19.841 -10.859 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 57 21.543 -10.402 -10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 57 19.093 -9.852 -10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 57 19.483 -8.503 -9.055 1.00 0.00 H new ATOM 916 N THR A 58 21.850 -8.142 -7.835 1.00 0.00 N ATOM 917 CA THR A 58 22.749 -7.193 -7.164 1.00 0.00 C ATOM 918 C THR A 58 22.884 -5.873 -7.933 1.00 0.00 C ATOM 919 O THR A 58 23.007 -4.805 -7.326 1.00 0.00 O ATOM 920 CB THR A 58 24.149 -7.811 -6.913 1.00 0.00 C ATOM 921 OG1 THR A 58 24.003 -9.070 -6.237 1.00 0.00 O ATOM 922 CG2 THR A 58 25.025 -6.882 -6.073 1.00 0.00 C ATOM 0 H THR A 58 20.945 -8.236 -7.375 1.00 0.00 H new ATOM 0 HA THR A 58 22.290 -6.971 -6.200 1.00 0.00 H new ATOM 0 HB THR A 58 24.634 -7.957 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 58 23.678 -9.745 -6.869 1.00 0.00 H new ATOM 0 HG21 THR A 58 25.999 -7.345 -5.915 1.00 0.00 H new ATOM 0 HG22 THR A 58 25.154 -5.934 -6.594 1.00 0.00 H new ATOM 0 HG23 THR A 58 24.547 -6.704 -5.109 1.00 0.00 H new ATOM 930 N GLN A 59 22.818 -5.942 -9.257 1.00 0.00 N ATOM 931 CA GLN A 59 22.980 -4.763 -10.103 1.00 0.00 C ATOM 932 C GLN A 59 21.782 -3.839 -9.928 1.00 0.00 C ATOM 933 O GLN A 59 21.932 -2.661 -9.594 1.00 0.00 O ATOM 934 CB GLN A 59 23.119 -5.181 -11.573 1.00 0.00 C ATOM 935 CG GLN A 59 24.294 -6.118 -11.836 1.00 0.00 C ATOM 936 CD GLN A 59 24.298 -6.684 -13.248 1.00 0.00 C ATOM 937 OE1 GLN A 59 23.244 -6.875 -13.859 1.00 0.00 O ATOM 938 NE2 GLN A 59 25.481 -6.969 -13.769 1.00 0.00 N ATOM 0 H GLN A 59 22.652 -6.807 -9.772 1.00 0.00 H new ATOM 0 HA GLN A 59 23.885 -4.232 -9.807 1.00 0.00 H new ATOM 0 HB2 GLN A 59 22.198 -5.669 -11.891 1.00 0.00 H new ATOM 0 HB3 GLN A 59 23.234 -4.287 -12.186 1.00 0.00 H new ATOM 0 HG2 GLN A 59 25.226 -5.580 -11.663 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.263 -6.940 -11.121 1.00 0.00 H new ATOM 0 HE21 GLN A 59 26.330 -6.796 -13.231 1.00 0.00 H new ATOM 0 HE22 GLN A 59 25.543 -7.361 -14.708 1.00 0.00 H new ATOM 947 N GLN A 60 20.595 -4.402 -10.134 1.00 0.00 N ATOM 948 CA GLN A 60 19.341 -3.683 -9.941 1.00 0.00 C ATOM 949 C GLN A 60 19.286 -3.093 -8.531 1.00 0.00 C ATOM 950 O GLN A 60 18.824 -1.971 -8.336 1.00 0.00 O ATOM 951 CB GLN A 60 18.150 -4.628 -10.160 1.00 0.00 C ATOM 952 CG GLN A 60 18.051 -5.201 -11.569 1.00 0.00 C ATOM 953 CD GLN A 60 16.899 -6.187 -11.722 1.00 0.00 C ATOM 954 OE1 GLN A 60 15.869 -6.075 -11.054 1.00 0.00 O ATOM 955 NE2 GLN A 60 17.071 -7.171 -12.593 1.00 0.00 N ATOM 0 H GLN A 60 20.476 -5.368 -10.439 1.00 0.00 H new ATOM 0 HA GLN A 60 19.286 -2.872 -10.667 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.220 -5.452 -9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.229 -4.090 -9.934 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.923 -4.385 -12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.987 -5.700 -11.821 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.937 -7.232 -13.129 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.338 -7.867 -12.728 1.00 0.00 H new ATOM 964 N LEU A 61 19.779 -3.861 -7.556 1.00 0.00 N ATOM 965 CA LEU A 61 19.802 -3.423 -6.161 1.00 0.00 C ATOM 966 C LEU A 61 20.636 -2.153 -6.007 1.00 0.00 C ATOM 967 O LEU A 61 20.201 -1.184 -5.387 1.00 0.00 O ATOM 968 CB LEU A 61 20.367 -4.529 -5.253 1.00 0.00 C ATOM 969 CG LEU A 61 19.503 -5.794 -5.118 1.00 0.00 C ATOM 970 CD1 LEU A 61 20.228 -6.856 -4.294 1.00 0.00 C ATOM 971 CD2 LEU A 61 18.149 -5.462 -4.491 1.00 0.00 C ATOM 0 H LEU A 61 20.168 -4.791 -7.709 1.00 0.00 H new ATOM 0 HA LEU A 61 18.776 -3.210 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.346 -4.820 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.523 -4.111 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 61 19.328 -6.193 -6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.600 -7.743 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.165 -7.120 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.437 -6.464 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.555 -6.372 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.302 -5.034 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.623 -4.743 -5.120 1.00 0.00 H new ATOM 983 N ALA A 62 21.839 -2.171 -6.577 1.00 0.00 N ATOM 984 CA ALA A 62 22.745 -1.030 -6.495 1.00 0.00 C ATOM 985 C ALA A 62 22.143 0.187 -7.193 1.00 0.00 C ATOM 986 O ALA A 62 22.076 1.274 -6.618 1.00 0.00 O ATOM 987 CB ALA A 62 24.099 -1.384 -7.102 1.00 0.00 C ATOM 0 H ALA A 62 22.208 -2.964 -7.101 1.00 0.00 H new ATOM 0 HA ALA A 62 22.892 -0.780 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.764 -0.523 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 62 24.533 -2.223 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 62 23.968 -1.659 -8.149 1.00 0.00 H new ATOM 993 N GLN A 63 21.692 -0.018 -8.429 1.00 0.00 N ATOM 994 CA GLN A 63 21.104 1.049 -9.237 1.00 0.00 C ATOM 995 C GLN A 63 19.918 1.690 -8.515 1.00 0.00 C ATOM 996 O GLN A 63 19.872 2.910 -8.333 1.00 0.00 O ATOM 997 CB GLN A 63 20.649 0.489 -10.593 1.00 0.00 C ATOM 998 CG GLN A 63 21.785 -0.084 -11.438 1.00 0.00 C ATOM 999 CD GLN A 63 21.289 -0.803 -12.684 1.00 0.00 C ATOM 1000 OE1 GLN A 63 20.199 -1.373 -12.695 1.00 0.00 O ATOM 1001 NE2 GLN A 63 22.087 -0.785 -13.741 1.00 0.00 N ATOM 0 H GLN A 63 21.723 -0.924 -8.897 1.00 0.00 H new ATOM 0 HA GLN A 63 21.863 1.815 -9.398 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.907 -0.291 -10.422 1.00 0.00 H new ATOM 0 HB3 GLN A 63 20.155 1.282 -11.155 1.00 0.00 H new ATOM 0 HG2 GLN A 63 22.455 0.723 -11.733 1.00 0.00 H new ATOM 0 HG3 GLN A 63 22.368 -0.777 -10.832 1.00 0.00 H new ATOM 0 HE21 GLN A 63 22.984 -0.302 -13.695 1.00 0.00 H new ATOM 0 HE22 GLN A 63 21.804 -1.254 -14.601 1.00 0.00 H new ATOM 1010 N GLU A 64 18.979 0.851 -8.090 1.00 0.00 N ATOM 1011 CA GLU A 64 17.755 1.318 -7.446 1.00 0.00 C ATOM 1012 C GLU A 64 18.072 2.047 -6.141 1.00 0.00 C ATOM 1013 O GLU A 64 17.667 3.193 -5.952 1.00 0.00 O ATOM 1014 CB GLU A 64 16.813 0.136 -7.169 1.00 0.00 C ATOM 1015 CG GLU A 64 15.415 0.551 -6.722 1.00 0.00 C ATOM 1016 CD GLU A 64 14.657 1.306 -7.803 1.00 0.00 C ATOM 1017 OE1 GLU A 64 14.157 0.655 -8.741 1.00 0.00 O ATOM 1018 OE2 GLU A 64 14.555 2.550 -7.725 1.00 0.00 O ATOM 0 H GLU A 64 19.043 -0.163 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 64 17.261 2.016 -8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.730 -0.469 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.257 -0.497 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.849 -0.337 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.492 1.177 -5.833 1.00 0.00 H new ATOM 1025 N ALA A 65 18.820 1.385 -5.259 1.00 0.00 N ATOM 1026 CA ALA A 65 19.141 1.937 -3.940 1.00 0.00 C ATOM 1027 C ALA A 65 19.774 3.325 -4.051 1.00 0.00 C ATOM 1028 O ALA A 65 19.429 4.236 -3.294 1.00 0.00 O ATOM 1029 CB ALA A 65 20.067 0.992 -3.182 1.00 0.00 C ATOM 0 H ALA A 65 19.217 0.462 -5.434 1.00 0.00 H new ATOM 0 HA ALA A 65 18.208 2.041 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.297 1.415 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.577 0.027 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.990 0.858 -3.746 1.00 0.00 H new ATOM 1035 N ARG A 66 20.696 3.478 -4.998 1.00 0.00 N ATOM 1036 CA ARG A 66 21.398 4.747 -5.192 1.00 0.00 C ATOM 1037 C ARG A 66 20.451 5.808 -5.748 1.00 0.00 C ATOM 1038 O ARG A 66 20.561 6.989 -5.406 1.00 0.00 O ATOM 1039 CB ARG A 66 22.613 4.551 -6.110 1.00 0.00 C ATOM 1040 CG ARG A 66 23.651 3.599 -5.522 1.00 0.00 C ATOM 1041 CD ARG A 66 24.830 3.356 -6.454 1.00 0.00 C ATOM 1042 NE ARG A 66 25.762 2.379 -5.887 1.00 0.00 N ATOM 1043 CZ ARG A 66 26.895 1.990 -6.471 1.00 0.00 C ATOM 1044 NH1 ARG A 66 27.283 2.534 -7.616 1.00 0.00 N ATOM 1045 NH2 ARG A 66 27.652 1.070 -5.886 1.00 0.00 N ATOM 0 H ARG A 66 20.976 2.740 -5.644 1.00 0.00 H new ATOM 0 HA ARG A 66 21.758 5.097 -4.225 1.00 0.00 H new ATOM 0 HB2 ARG A 66 22.277 4.165 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 66 23.079 5.518 -6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 66 24.018 4.007 -4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.174 2.646 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 66 24.467 2.999 -7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.351 4.296 -6.638 1.00 0.00 H new ATOM 0 HE ARG A 66 25.528 1.968 -4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 66 26.713 3.256 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 66 28.152 2.231 -8.056 1.00 0.00 H new ATOM 0 HH21 ARG A 66 27.365 0.665 -4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 66 28.520 0.768 -6.328 1.00 0.00 H new ATOM 1059 N ASN A 67 19.516 5.377 -6.591 1.00 0.00 N ATOM 1060 CA ASN A 67 18.487 6.269 -7.119 1.00 0.00 C ATOM 1061 C ASN A 67 17.602 6.773 -5.979 1.00 0.00 C ATOM 1062 O ASN A 67 17.450 7.981 -5.787 1.00 0.00 O ATOM 1063 CB ASN A 67 17.632 5.549 -8.175 1.00 0.00 C ATOM 1064 CG ASN A 67 16.482 6.407 -8.682 1.00 0.00 C ATOM 1065 OD1 ASN A 67 16.627 7.159 -9.648 1.00 0.00 O ATOM 1066 ND2 ASN A 67 15.327 6.291 -8.043 1.00 0.00 N ATOM 0 H ASN A 67 19.450 4.415 -6.923 1.00 0.00 H new ATOM 0 HA ASN A 67 18.975 7.119 -7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.264 5.263 -9.015 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.233 4.629 -7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.519 6.835 -8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.246 5.658 -7.247 1.00 0.00 H new ATOM 1073 N ILE A 68 17.045 5.834 -5.210 1.00 0.00 N ATOM 1074 CA ILE A 68 16.182 6.164 -4.075 1.00 0.00 C ATOM 1075 C ILE A 68 16.910 7.105 -3.115 1.00 0.00 C ATOM 1076 O ILE A 68 16.328 8.063 -2.593 1.00 0.00 O ATOM 1077 CB ILE A 68 15.746 4.898 -3.288 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.163 3.830 -4.230 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.725 5.273 -2.212 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.876 2.503 -3.547 1.00 0.00 C ATOM 0 H ILE A 68 17.178 4.833 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 68 15.293 6.645 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 68 16.629 4.476 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.240 4.210 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.860 3.663 -5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.426 4.378 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.171 5.988 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.849 5.721 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.467 1.801 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.800 2.100 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.155 2.655 -2.744 1.00 0.00 H new ATOM 1092 N TYR A 69 18.193 6.819 -2.897 1.00 0.00 N ATOM 1093 CA TYR A 69 19.035 7.627 -2.023 1.00 0.00 C ATOM 1094 C TYR A 69 19.034 9.082 -2.482 1.00 0.00 C ATOM 1095 O TYR A 69 18.508 9.956 -1.801 1.00 0.00 O ATOM 1096 CB TYR A 69 20.472 7.080 -2.003 1.00 0.00 C ATOM 1097 CG TYR A 69 21.414 7.854 -1.093 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.550 7.518 0.251 1.00 0.00 C ATOM 1099 CD2 TYR A 69 22.167 8.923 -1.577 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.405 8.220 1.081 1.00 0.00 C ATOM 1101 CE2 TYR A 69 23.023 9.627 -0.754 1.00 0.00 C ATOM 1102 CZ TYR A 69 23.140 9.273 0.575 1.00 0.00 C ATOM 1103 OH TYR A 69 23.994 9.972 1.401 1.00 0.00 O ATOM 0 H TYR A 69 18.674 6.025 -3.320 1.00 0.00 H new ATOM 0 HA TYR A 69 18.629 7.577 -1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.449 6.038 -1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.870 7.094 -3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.978 6.695 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 69 22.079 9.206 -2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.497 7.945 2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.599 10.451 -1.148 1.00 0.00 H new ATOM 0 HH TYR A 69 24.437 10.681 0.889 1.00 0.00 H new ATOM 1113 N GLN A 70 19.590 9.324 -3.665 1.00 0.00 N ATOM 1114 CA GLN A 70 19.749 10.682 -4.185 1.00 0.00 C ATOM 1115 C GLN A 70 18.398 11.350 -4.447 1.00 0.00 C ATOM 1116 O GLN A 70 18.327 12.568 -4.628 1.00 0.00 O ATOM 1117 CB GLN A 70 20.596 10.665 -5.464 1.00 0.00 C ATOM 1118 CG GLN A 70 22.052 10.273 -5.226 1.00 0.00 C ATOM 1119 CD GLN A 70 22.868 10.226 -6.506 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.596 10.958 -7.460 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.873 9.364 -6.538 1.00 0.00 N ATOM 0 H GLN A 70 19.940 8.595 -4.286 1.00 0.00 H new ATOM 0 HA GLN A 70 20.263 11.270 -3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.152 9.968 -6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.565 11.653 -5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.507 10.985 -4.537 1.00 0.00 H new ATOM 0 HG3 GLN A 70 22.086 9.296 -4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 70 24.066 8.775 -5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 70 24.454 9.289 -7.373 1.00 0.00 H new ATOM 1130 N GLU A 71 17.334 10.554 -4.452 1.00 0.00 N ATOM 1131 CA GLU A 71 15.994 11.054 -4.737 1.00 0.00 C ATOM 1132 C GLU A 71 15.339 11.615 -3.470 1.00 0.00 C ATOM 1133 O GLU A 71 15.039 12.811 -3.384 1.00 0.00 O ATOM 1134 CB GLU A 71 15.130 9.923 -5.321 1.00 0.00 C ATOM 1135 CG GLU A 71 13.882 10.392 -6.065 1.00 0.00 C ATOM 1136 CD GLU A 71 14.197 10.965 -7.441 1.00 0.00 C ATOM 1137 OE1 GLU A 71 14.346 10.176 -8.398 1.00 0.00 O ATOM 1138 OE2 GLU A 71 14.292 12.202 -7.575 1.00 0.00 O ATOM 0 H GLU A 71 17.375 9.553 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 71 16.074 11.861 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.742 9.332 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.826 9.261 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.193 9.554 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.372 11.149 -5.469 1.00 0.00 H new ATOM 1145 N PHE A 72 15.132 10.744 -2.483 1.00 0.00 N ATOM 1146 CA PHE A 72 14.400 11.111 -1.268 1.00 0.00 C ATOM 1147 C PHE A 72 15.315 11.165 -0.045 1.00 0.00 C ATOM 1148 O PHE A 72 15.098 11.960 0.869 1.00 0.00 O ATOM 1149 CB PHE A 72 13.269 10.103 -1.003 1.00 0.00 C ATOM 1150 CG PHE A 72 12.285 9.959 -2.139 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.383 10.973 -2.429 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.258 8.807 -2.914 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.479 10.842 -3.466 1.00 0.00 C ATOM 1154 CE2 PHE A 72 11.355 8.671 -3.951 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.464 9.689 -4.228 1.00 0.00 C ATOM 0 H PHE A 72 15.460 9.778 -2.500 1.00 0.00 H new ATOM 0 HA PHE A 72 13.985 12.106 -1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.709 9.128 -0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.729 10.408 -0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.388 11.876 -1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 72 12.952 8.007 -2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.784 11.640 -3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 72 11.346 7.769 -4.545 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.757 9.584 -5.038 1.00 0.00 H new ATOM 1165 N LEU A 73 16.339 10.319 -0.026 1.00 0.00 N ATOM 1166 CA LEU A 73 17.156 10.137 1.174 1.00 0.00 C ATOM 1167 C LEU A 73 18.446 10.953 1.129 1.00 0.00 C ATOM 1168 O LEU A 73 19.262 10.881 2.052 1.00 0.00 O ATOM 1169 CB LEU A 73 17.473 8.652 1.363 1.00 0.00 C ATOM 1170 CG LEU A 73 16.250 7.766 1.642 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.634 6.288 1.615 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.623 8.134 2.983 1.00 0.00 C ATOM 0 H LEU A 73 16.624 9.750 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 73 16.579 10.502 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.974 8.285 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.177 8.547 2.188 1.00 0.00 H new ATOM 0 HG LEU A 73 15.514 7.939 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.752 5.679 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.035 6.034 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.389 6.094 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.757 7.498 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.354 7.990 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.309 9.177 2.963 1.00 0.00 H new ATOM 1184 N SER A 74 18.635 11.721 0.062 1.00 0.00 N ATOM 1185 CA SER A 74 19.796 12.594 -0.041 1.00 0.00 C ATOM 1186 C SER A 74 19.717 13.715 1.000 1.00 0.00 C ATOM 1187 O SER A 74 18.677 13.907 1.639 1.00 0.00 O ATOM 1188 CB SER A 74 19.906 13.154 -1.464 1.00 0.00 C ATOM 1189 OG SER A 74 18.654 13.616 -1.936 1.00 0.00 O ATOM 0 H SER A 74 18.004 11.756 -0.738 1.00 0.00 H new ATOM 0 HA SER A 74 20.697 12.017 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.627 13.972 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.286 12.381 -2.132 1.00 0.00 H new ATOM 0 HG SER A 74 18.533 13.338 -2.868 1.00 0.00 H new ATOM 1195 N SER A 75 20.822 14.434 1.183 1.00 0.00 N ATOM 1196 CA SER A 75 20.899 15.500 2.178 1.00 0.00 C ATOM 1197 C SER A 75 19.795 16.533 1.936 1.00 0.00 C ATOM 1198 O SER A 75 18.961 16.786 2.814 1.00 0.00 O ATOM 1199 CB SER A 75 22.285 16.163 2.135 1.00 0.00 C ATOM 1200 OG SER A 75 22.442 17.111 3.179 1.00 0.00 O ATOM 0 H SER A 75 21.681 14.296 0.651 1.00 0.00 H new ATOM 0 HA SER A 75 20.753 15.070 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 75 23.058 15.399 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.424 16.655 1.172 1.00 0.00 H new ATOM 0 HG SER A 75 23.334 17.513 3.124 1.00 0.00 H new ATOM 1206 N GLN A 76 19.780 17.106 0.735 1.00 0.00 N ATOM 1207 CA GLN A 76 18.758 18.073 0.353 1.00 0.00 C ATOM 1208 C GLN A 76 17.490 17.337 -0.078 1.00 0.00 C ATOM 1209 O GLN A 76 16.426 17.505 0.526 1.00 0.00 O ATOM 1210 CB GLN A 76 19.268 18.973 -0.783 1.00 0.00 C ATOM 1211 CG GLN A 76 18.293 20.078 -1.182 1.00 0.00 C ATOM 1212 CD GLN A 76 18.059 21.085 -0.068 1.00 0.00 C ATOM 1213 OE1 GLN A 76 18.951 21.356 0.740 1.00 0.00 O ATOM 1214 NE2 GLN A 76 16.857 21.637 -0.010 1.00 0.00 N ATOM 0 H GLN A 76 20.469 16.915 0.007 1.00 0.00 H new ATOM 0 HA GLN A 76 18.528 18.705 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 76 20.211 19.427 -0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 76 19.479 18.355 -1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.678 20.597 -2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 76 17.341 19.631 -1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 76 16.147 21.386 -0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 76 16.641 22.313 0.722 1.00 0.00 H new ATOM 1223 N ALA A 77 17.627 16.524 -1.127 1.00 0.00 N ATOM 1224 CA ALA A 77 16.541 15.683 -1.637 1.00 0.00 C ATOM 1225 C ALA A 77 15.366 16.503 -2.169 1.00 0.00 C ATOM 1226 O ALA A 77 15.209 17.685 -1.849 1.00 0.00 O ATOM 1227 CB ALA A 77 16.064 14.711 -0.560 1.00 0.00 C ATOM 0 H ALA A 77 18.498 16.430 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 77 16.946 15.118 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.257 14.095 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.892 14.072 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.702 15.272 0.302 1.00 0.00 H new ATOM 1233 N LEU A 78 14.552 15.865 -3.003 1.00 0.00 N ATOM 1234 CA LEU A 78 13.317 16.472 -3.490 1.00 0.00 C ATOM 1235 C LEU A 78 12.292 16.474 -2.364 1.00 0.00 C ATOM 1236 O LEU A 78 11.579 17.456 -2.143 1.00 0.00 O ATOM 1237 CB LEU A 78 12.763 15.707 -4.708 1.00 0.00 C ATOM 1238 CG LEU A 78 13.587 15.812 -6.007 1.00 0.00 C ATOM 1239 CD1 LEU A 78 14.969 15.178 -5.853 1.00 0.00 C ATOM 1240 CD2 LEU A 78 12.827 15.173 -7.167 1.00 0.00 C ATOM 0 H LEU A 78 14.725 14.924 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 78 13.526 17.494 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.676 14.654 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.755 16.069 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 78 13.737 16.870 -6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.519 15.272 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.516 15.686 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.859 14.123 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 78 13.419 15.254 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.643 14.122 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.876 15.687 -7.306 1.00 0.00 H new ATOM 1252 N SER A 79 12.250 15.360 -1.646 1.00 0.00 N ATOM 1253 CA SER A 79 11.377 15.193 -0.498 1.00 0.00 C ATOM 1254 C SER A 79 11.954 14.114 0.420 1.00 0.00 C ATOM 1255 O SER A 79 11.906 12.928 0.091 1.00 0.00 O ATOM 1256 CB SER A 79 9.958 14.813 -0.951 1.00 0.00 C ATOM 1257 OG SER A 79 9.093 14.614 0.156 1.00 0.00 O ATOM 0 H SER A 79 12.826 14.542 -1.847 1.00 0.00 H new ATOM 0 HA SER A 79 11.315 16.135 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.557 15.599 -1.591 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.998 13.904 -1.551 1.00 0.00 H new ATOM 0 HG SER A 79 8.199 14.375 -0.166 1.00 0.00 H new ATOM 1263 N PRO A 80 12.559 14.513 1.556 1.00 0.00 N ATOM 1264 CA PRO A 80 13.061 13.572 2.574 1.00 0.00 C ATOM 1265 C PRO A 80 11.919 12.885 3.334 1.00 0.00 C ATOM 1266 O PRO A 80 11.984 12.728 4.559 1.00 0.00 O ATOM 1267 CB PRO A 80 13.885 14.468 3.524 1.00 0.00 C ATOM 1268 CG PRO A 80 14.048 15.770 2.809 1.00 0.00 C ATOM 1269 CD PRO A 80 12.841 15.907 1.928 1.00 0.00 C ATOM 0 HA PRO A 80 13.641 12.762 2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.372 14.605 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.853 14.019 3.745 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.113 16.598 3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 80 14.965 15.780 2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.003 16.364 2.455 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.044 16.527 1.055 1.00 0.00 H new ATOM 1277 N VAL A 81 10.912 12.428 2.575 1.00 0.00 N ATOM 1278 CA VAL A 81 9.647 11.906 3.107 1.00 0.00 C ATOM 1279 C VAL A 81 9.305 12.472 4.496 1.00 0.00 C ATOM 1280 O VAL A 81 8.860 13.618 4.607 1.00 0.00 O ATOM 1281 CB VAL A 81 9.606 10.347 3.103 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.161 9.816 1.742 1.00 0.00 C ATOM 1283 CG2 VAL A 81 10.965 9.754 3.471 1.00 0.00 C ATOM 0 H VAL A 81 10.956 12.411 1.556 1.00 0.00 H new ATOM 0 HA VAL A 81 8.871 12.256 2.426 1.00 0.00 H new ATOM 0 HB VAL A 81 8.880 10.040 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.141 8.726 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.164 10.193 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.860 10.149 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.902 8.666 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.713 10.082 2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.251 10.090 4.468 1.00 0.00 H new ATOM 1293 N ASN A 82 9.536 11.681 5.545 1.00 0.00 N ATOM 1294 CA ASN A 82 9.276 12.095 6.922 1.00 0.00 C ATOM 1295 C ASN A 82 9.833 11.031 7.864 1.00 0.00 C ATOM 1296 O ASN A 82 9.106 10.425 8.655 1.00 0.00 O ATOM 1297 CB ASN A 82 7.766 12.299 7.159 1.00 0.00 C ATOM 1298 CG ASN A 82 7.457 12.900 8.523 1.00 0.00 C ATOM 1299 OD1 ASN A 82 8.256 13.650 9.081 1.00 0.00 O ATOM 1300 ND2 ASN A 82 6.288 12.585 9.065 1.00 0.00 N ATOM 0 H ASN A 82 9.909 10.735 5.462 1.00 0.00 H new ATOM 0 HA ASN A 82 9.767 13.049 7.115 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.366 12.950 6.382 1.00 0.00 H new ATOM 0 HB3 ASN A 82 7.256 11.340 7.066 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.027 12.968 9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.650 11.959 8.573 1.00 0.00 H new ATOM 1307 N ILE A 83 11.135 10.786 7.736 1.00 0.00 N ATOM 1308 CA ILE A 83 11.817 9.719 8.471 1.00 0.00 C ATOM 1309 C ILE A 83 13.195 10.200 8.932 1.00 0.00 C ATOM 1310 O ILE A 83 13.574 11.344 8.670 1.00 0.00 O ATOM 1311 CB ILE A 83 11.987 8.453 7.586 1.00 0.00 C ATOM 1312 CG1 ILE A 83 12.878 8.767 6.373 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.629 7.918 7.130 1.00 0.00 C ATOM 1314 CD1 ILE A 83 12.983 7.632 5.381 1.00 0.00 C ATOM 0 H ILE A 83 11.748 11.320 7.121 1.00 0.00 H new ATOM 0 HA ILE A 83 11.206 9.463 9.336 1.00 0.00 H new ATOM 0 HB ILE A 83 12.470 7.680 8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.485 9.647 5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.877 9.023 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.776 7.032 6.512 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.029 7.657 8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.113 8.683 6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 83 13.628 7.930 4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.406 6.756 5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.991 7.390 4.999 1.00 0.00 H new ATOM 1326 N ASP A 84 13.944 9.323 9.600 1.00 0.00 N ATOM 1327 CA ASP A 84 15.279 9.663 10.095 1.00 0.00 C ATOM 1328 C ASP A 84 16.352 9.157 9.131 1.00 0.00 C ATOM 1329 O ASP A 84 16.440 7.964 8.848 1.00 0.00 O ATOM 1330 CB ASP A 84 15.502 9.096 11.509 1.00 0.00 C ATOM 1331 CG ASP A 84 15.368 7.579 11.592 1.00 0.00 C ATOM 1332 OD1 ASP A 84 14.246 7.062 11.382 1.00 0.00 O ATOM 1333 OD2 ASP A 84 16.371 6.898 11.901 1.00 0.00 O ATOM 0 H ASP A 84 13.649 8.370 9.811 1.00 0.00 H new ATOM 0 HA ASP A 84 15.355 10.749 10.154 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.496 9.383 11.853 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.785 9.553 12.191 1.00 0.00 H new ATOM 1338 N ARG A 85 17.155 10.087 8.616 1.00 0.00 N ATOM 1339 CA ARG A 85 18.193 9.772 7.632 1.00 0.00 C ATOM 1340 C ARG A 85 19.585 9.815 8.263 1.00 0.00 C ATOM 1341 O ARG A 85 20.526 9.206 7.752 1.00 0.00 O ATOM 1342 CB ARG A 85 18.140 10.772 6.471 1.00 0.00 C ATOM 1343 CG ARG A 85 16.852 10.739 5.653 1.00 0.00 C ATOM 1344 CD ARG A 85 16.749 11.950 4.724 1.00 0.00 C ATOM 1345 NE ARG A 85 16.580 13.195 5.479 1.00 0.00 N ATOM 1346 CZ ARG A 85 17.002 14.400 5.080 1.00 0.00 C ATOM 1347 NH1 ARG A 85 17.655 14.551 3.932 1.00 0.00 N ATOM 1348 NH2 ARG A 85 16.761 15.458 5.841 1.00 0.00 N ATOM 0 H ARG A 85 17.106 11.075 8.866 1.00 0.00 H new ATOM 0 HA ARG A 85 18.005 8.764 7.263 1.00 0.00 H new ATOM 0 HB2 ARG A 85 18.274 11.777 6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.981 10.579 5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.817 9.823 5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.993 10.719 6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.647 12.015 4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.907 11.818 4.045 1.00 0.00 H new ATOM 0 HE ARG A 85 16.103 13.138 6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.841 13.741 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.970 15.477 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.258 15.349 6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.078 16.381 5.546 1.00 0.00 H new ATOM 1362 N GLN A 86 19.722 10.549 9.362 1.00 0.00 N ATOM 1363 CA GLN A 86 21.026 10.731 10.000 1.00 0.00 C ATOM 1364 C GLN A 86 21.534 9.418 10.597 1.00 0.00 C ATOM 1365 O GLN A 86 22.700 9.053 10.422 1.00 0.00 O ATOM 1366 CB GLN A 86 20.949 11.819 11.080 1.00 0.00 C ATOM 1367 CG GLN A 86 22.263 12.059 11.824 1.00 0.00 C ATOM 1368 CD GLN A 86 23.390 12.584 10.939 1.00 0.00 C ATOM 1369 OE1 GLN A 86 23.471 12.285 9.744 1.00 0.00 O ATOM 1370 NE2 GLN A 86 24.274 13.373 11.526 1.00 0.00 N ATOM 0 H GLN A 86 18.952 11.027 9.830 1.00 0.00 H new ATOM 0 HA GLN A 86 21.734 11.050 9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 86 20.631 12.753 10.617 1.00 0.00 H new ATOM 0 HB3 GLN A 86 20.181 11.544 11.802 1.00 0.00 H new ATOM 0 HG2 GLN A 86 22.087 12.770 12.631 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.583 11.125 12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 86 24.177 13.600 12.516 1.00 0.00 H new ATOM 0 HE22 GLN A 86 25.053 13.755 10.989 1.00 0.00 H new ATOM 1379 N ALA A 87 20.649 8.703 11.287 1.00 0.00 N ATOM 1380 CA ALA A 87 20.996 7.416 11.889 1.00 0.00 C ATOM 1381 C ALA A 87 20.770 6.276 10.899 1.00 0.00 C ATOM 1382 O ALA A 87 20.712 5.103 11.284 1.00 0.00 O ATOM 1383 CB ALA A 87 20.181 7.191 13.154 1.00 0.00 C ATOM 0 H ALA A 87 19.684 8.993 11.444 1.00 0.00 H new ATOM 0 HA ALA A 87 22.054 7.433 12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.448 6.230 13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.391 7.987 13.868 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.119 7.195 12.908 1.00 0.00 H new ATOM 1389 N TRP A 88 20.652 6.627 9.622 1.00 0.00 N ATOM 1390 CA TRP A 88 20.447 5.645 8.565 1.00 0.00 C ATOM 1391 C TRP A 88 21.726 4.837 8.349 1.00 0.00 C ATOM 1392 O TRP A 88 22.796 5.223 8.828 1.00 0.00 O ATOM 1393 CB TRP A 88 20.021 6.352 7.269 1.00 0.00 C ATOM 1394 CG TRP A 88 19.422 5.428 6.258 1.00 0.00 C ATOM 1395 CD1 TRP A 88 18.305 4.673 6.425 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.890 5.171 4.930 1.00 0.00 C ATOM 1397 NE1 TRP A 88 18.056 3.939 5.292 1.00 0.00 N ATOM 1398 CE2 TRP A 88 19.014 4.233 4.355 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.966 5.641 4.174 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 19.184 3.757 3.059 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 21.134 5.168 2.888 1.00 0.00 C ATOM 1402 CH2 TRP A 88 20.247 4.236 2.340 1.00 0.00 C ATOM 0 H TRP A 88 20.695 7.592 9.294 1.00 0.00 H new ATOM 0 HA TRP A 88 19.653 4.959 8.859 1.00 0.00 H new ATOM 0 HB2 TRP A 88 19.299 7.132 7.510 1.00 0.00 H new ATOM 0 HB3 TRP A 88 20.889 6.845 6.831 1.00 0.00 H new ATOM 0 HD1 TRP A 88 17.700 4.653 7.320 1.00 0.00 H new ATOM 0 HE1 TRP A 88 17.285 3.283 5.167 1.00 0.00 H new ATOM 0 HE3 TRP A 88 21.655 6.362 4.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.502 3.035 2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.964 5.524 2.295 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.403 3.887 1.330 1.00 0.00 H new ATOM 1413 N LEU A 89 21.618 3.718 7.633 1.00 0.00 N ATOM 1414 CA LEU A 89 22.768 2.843 7.398 1.00 0.00 C ATOM 1415 C LEU A 89 23.881 3.602 6.671 1.00 0.00 C ATOM 1416 O LEU A 89 25.067 3.402 6.940 1.00 0.00 O ATOM 1417 CB LEU A 89 22.365 1.598 6.592 1.00 0.00 C ATOM 1418 CG LEU A 89 21.209 0.761 7.178 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.855 1.254 6.667 1.00 0.00 C ATOM 1420 CD2 LEU A 89 21.399 -0.721 6.862 1.00 0.00 C ATOM 0 H LEU A 89 20.749 3.396 7.207 1.00 0.00 H new ATOM 0 HA LEU A 89 23.139 2.515 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 89 22.086 1.914 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 89 23.239 0.955 6.492 1.00 0.00 H new ATOM 0 HG LEU A 89 21.223 0.885 8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.060 0.645 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.713 2.295 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.825 1.174 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 89 20.572 -1.292 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 89 21.423 -0.863 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 89 22.338 -1.068 7.294 1.00 0.00 H new ATOM 1432 N GLY A 90 23.484 4.472 5.746 1.00 0.00 N ATOM 1433 CA GLY A 90 24.431 5.341 5.067 1.00 0.00 C ATOM 1434 C GLY A 90 24.931 4.770 3.752 1.00 0.00 C ATOM 1435 O GLY A 90 24.244 3.984 3.097 1.00 0.00 O ATOM 0 H GLY A 90 22.514 4.591 5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.960 6.306 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 90 25.282 5.523 5.723 1.00 0.00 H new ATOM 1439 N GLU A 91 26.149 5.161 3.388 1.00 0.00 N ATOM 1440 CA GLU A 91 26.763 4.787 2.114 1.00 0.00 C ATOM 1441 C GLU A 91 26.985 3.277 2.023 1.00 0.00 C ATOM 1442 O GLU A 91 27.126 2.722 0.927 1.00 0.00 O ATOM 1443 CB GLU A 91 28.092 5.532 1.956 1.00 0.00 C ATOM 1444 CG GLU A 91 27.954 7.048 2.068 1.00 0.00 C ATOM 1445 CD GLU A 91 29.294 7.751 2.185 1.00 0.00 C ATOM 1446 OE1 GLU A 91 29.825 7.835 3.314 1.00 0.00 O ATOM 1447 OE2 GLU A 91 29.825 8.217 1.152 1.00 0.00 O ATOM 0 H GLU A 91 26.743 5.750 3.971 1.00 0.00 H new ATOM 0 HA GLU A 91 26.087 5.067 1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 91 28.789 5.181 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.526 5.285 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 91 27.425 7.426 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 91 27.344 7.290 2.938 1.00 0.00 H new ATOM 1454 N GLU A 92 26.977 2.620 3.178 1.00 0.00 N ATOM 1455 CA GLU A 92 27.205 1.185 3.268 1.00 0.00 C ATOM 1456 C GLU A 92 26.142 0.438 2.468 1.00 0.00 C ATOM 1457 O GLU A 92 26.369 -0.673 1.984 1.00 0.00 O ATOM 1458 CB GLU A 92 27.182 0.765 4.744 1.00 0.00 C ATOM 1459 CG GLU A 92 27.487 -0.707 4.988 1.00 0.00 C ATOM 1460 CD GLU A 92 27.586 -1.032 6.469 1.00 0.00 C ATOM 1461 OE1 GLU A 92 26.539 -1.272 7.106 1.00 0.00 O ATOM 1462 OE2 GLU A 92 28.711 -1.018 7.012 1.00 0.00 O ATOM 0 H GLU A 92 26.812 3.070 4.079 1.00 0.00 H new ATOM 0 HA GLU A 92 28.179 0.935 2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.906 1.368 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.200 0.993 5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.707 -1.318 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 92 28.424 -0.969 4.496 1.00 0.00 H new ATOM 1469 N VAL A 93 24.987 1.081 2.318 1.00 0.00 N ATOM 1470 CA VAL A 93 23.888 0.526 1.546 1.00 0.00 C ATOM 1471 C VAL A 93 24.208 0.540 0.055 1.00 0.00 C ATOM 1472 O VAL A 93 23.958 -0.432 -0.660 1.00 0.00 O ATOM 1473 CB VAL A 93 22.575 1.314 1.782 1.00 0.00 C ATOM 1474 CG1 VAL A 93 21.461 0.819 0.861 1.00 0.00 C ATOM 1475 CG2 VAL A 93 22.152 1.223 3.244 1.00 0.00 C ATOM 0 H VAL A 93 24.791 1.995 2.726 1.00 0.00 H new ATOM 0 HA VAL A 93 23.752 -0.502 1.882 1.00 0.00 H new ATOM 0 HB VAL A 93 22.762 2.361 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 93 20.552 1.391 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 93 21.763 0.950 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 93 21.272 -0.237 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 93 21.228 1.782 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.991 0.179 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.935 1.643 3.876 1.00 0.00 H new ATOM 1485 N LEU A 94 24.768 1.652 -0.404 1.00 0.00 N ATOM 1486 CA LEU A 94 25.034 1.849 -1.824 1.00 0.00 C ATOM 1487 C LEU A 94 26.254 1.040 -2.254 1.00 0.00 C ATOM 1488 O LEU A 94 26.427 0.735 -3.439 1.00 0.00 O ATOM 1489 CB LEU A 94 25.232 3.340 -2.136 1.00 0.00 C ATOM 1490 CG LEU A 94 24.055 4.269 -1.755 1.00 0.00 C ATOM 1491 CD1 LEU A 94 22.711 3.621 -2.076 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.119 4.680 -0.285 1.00 0.00 C ATOM 0 H LEU A 94 25.048 2.434 0.188 1.00 0.00 H new ATOM 0 HA LEU A 94 24.171 1.496 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.126 3.685 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 94 25.423 3.446 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 94 24.148 5.172 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 94 21.904 4.299 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 94 22.654 3.410 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 94 22.613 2.690 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.277 5.332 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 94 24.074 3.791 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.052 5.211 -0.096 1.00 0.00 H new ATOM 1504 N ALA A 95 27.096 0.707 -1.282 1.00 0.00 N ATOM 1505 CA ALA A 95 28.254 -0.145 -1.517 1.00 0.00 C ATOM 1506 C ALA A 95 27.825 -1.607 -1.637 1.00 0.00 C ATOM 1507 O ALA A 95 28.046 -2.249 -2.668 1.00 0.00 O ATOM 1508 CB ALA A 95 29.274 0.024 -0.396 1.00 0.00 C ATOM 0 H ALA A 95 26.996 1.018 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 95 28.721 0.154 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.133 -0.619 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.600 1.063 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 95 28.818 -0.251 0.555 1.00 0.00 H new ATOM 1514 N GLU A 96 27.192 -2.122 -0.583 1.00 0.00 N ATOM 1515 CA GLU A 96 26.726 -3.508 -0.552 1.00 0.00 C ATOM 1516 C GLU A 96 25.223 -3.551 -0.255 1.00 0.00 C ATOM 1517 O GLU A 96 24.812 -3.513 0.908 1.00 0.00 O ATOM 1518 CB GLU A 96 27.495 -4.313 0.511 1.00 0.00 C ATOM 1519 CG GLU A 96 29.011 -4.326 0.315 1.00 0.00 C ATOM 1520 CD GLU A 96 29.437 -4.937 -1.014 1.00 0.00 C ATOM 1521 OE1 GLU A 96 28.992 -6.063 -1.328 1.00 0.00 O ATOM 1522 OE2 GLU A 96 30.239 -4.306 -1.740 1.00 0.00 O ATOM 0 H GLU A 96 26.989 -1.595 0.267 1.00 0.00 H new ATOM 0 HA GLU A 96 26.910 -3.957 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.271 -3.900 1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.131 -5.340 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.388 -3.305 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.472 -4.885 1.129 1.00 0.00 H new ATOM 1529 N PRO A 97 24.377 -3.602 -1.301 1.00 0.00 N ATOM 1530 CA PRO A 97 22.922 -3.611 -1.141 1.00 0.00 C ATOM 1531 C PRO A 97 22.363 -5.018 -0.910 1.00 0.00 C ATOM 1532 O PRO A 97 23.101 -6.006 -0.939 1.00 0.00 O ATOM 1533 CB PRO A 97 22.441 -3.046 -2.479 1.00 0.00 C ATOM 1534 CG PRO A 97 23.456 -3.522 -3.472 1.00 0.00 C ATOM 1535 CD PRO A 97 24.768 -3.646 -2.725 1.00 0.00 C ATOM 0 HA PRO A 97 22.593 -3.043 -0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 97 21.443 -3.407 -2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 97 22.389 -1.958 -2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 97 23.161 -4.481 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 97 23.547 -2.819 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.279 -4.577 -2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 97 25.449 -2.833 -2.977 1.00 0.00 H new ATOM 1543 N ARG A 98 21.053 -5.089 -0.682 1.00 0.00 N ATOM 1544 CA ARG A 98 20.357 -6.355 -0.460 1.00 0.00 C ATOM 1545 C ARG A 98 18.852 -6.121 -0.612 1.00 0.00 C ATOM 1546 O ARG A 98 18.398 -4.992 -0.442 1.00 0.00 O ATOM 1547 CB ARG A 98 20.690 -6.915 0.935 1.00 0.00 C ATOM 1548 CG ARG A 98 20.075 -6.129 2.089 1.00 0.00 C ATOM 1549 CD ARG A 98 20.660 -6.552 3.433 1.00 0.00 C ATOM 1550 NE ARG A 98 20.549 -7.997 3.656 1.00 0.00 N ATOM 1551 CZ ARG A 98 21.235 -8.665 4.585 1.00 0.00 C ATOM 1552 NH1 ARG A 98 22.072 -8.020 5.391 1.00 0.00 N ATOM 1553 NH2 ARG A 98 21.093 -9.981 4.698 1.00 0.00 N ATOM 0 H ARG A 98 20.444 -4.271 -0.646 1.00 0.00 H new ATOM 0 HA ARG A 98 20.683 -7.091 -1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.347 -7.948 0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.773 -6.932 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.247 -5.064 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.996 -6.280 2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 98 21.709 -6.259 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 98 20.145 -6.022 4.234 1.00 0.00 H new ATOM 0 HE ARG A 98 19.907 -8.524 3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.191 -7.011 5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 98 22.595 -8.534 6.100 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.459 -10.481 4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.618 -10.491 5.408 1.00 0.00 H new ATOM 1567 N PRO A 99 18.061 -7.169 -0.933 1.00 0.00 N ATOM 1568 CA PRO A 99 16.617 -7.026 -1.211 1.00 0.00 C ATOM 1569 C PRO A 99 15.853 -6.340 -0.074 1.00 0.00 C ATOM 1570 O PRO A 99 14.905 -5.591 -0.314 1.00 0.00 O ATOM 1571 CB PRO A 99 16.132 -8.477 -1.401 1.00 0.00 C ATOM 1572 CG PRO A 99 17.214 -9.331 -0.825 1.00 0.00 C ATOM 1573 CD PRO A 99 18.494 -8.574 -1.045 1.00 0.00 C ATOM 0 HA PRO A 99 16.440 -6.391 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.184 -8.645 -0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.971 -8.703 -2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.045 -9.513 0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.246 -10.304 -1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.247 -8.827 -0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.928 -8.788 -2.022 1.00 0.00 H new ATOM 1581 N ASP A 100 16.277 -6.593 1.162 1.00 0.00 N ATOM 1582 CA ASP A 100 15.623 -6.005 2.334 1.00 0.00 C ATOM 1583 C ASP A 100 16.599 -5.090 3.068 1.00 0.00 C ATOM 1584 O ASP A 100 17.510 -5.559 3.751 1.00 0.00 O ATOM 1585 CB ASP A 100 15.109 -7.105 3.274 1.00 0.00 C ATOM 1586 CG ASP A 100 14.241 -6.558 4.399 1.00 0.00 C ATOM 1587 OD1 ASP A 100 13.029 -6.351 4.169 1.00 0.00 O ATOM 1588 OD2 ASP A 100 14.757 -6.346 5.518 1.00 0.00 O ATOM 0 H ASP A 100 17.068 -7.199 1.380 1.00 0.00 H new ATOM 0 HA ASP A 100 14.769 -5.416 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 100 14.535 -7.831 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 100 15.958 -7.638 3.702 1.00 0.00 H new ATOM 1593 N MET A 101 16.418 -3.784 2.898 1.00 0.00 N ATOM 1594 CA MET A 101 17.331 -2.794 3.476 1.00 0.00 C ATOM 1595 C MET A 101 16.555 -1.616 4.071 1.00 0.00 C ATOM 1596 O MET A 101 16.800 -1.199 5.205 1.00 0.00 O ATOM 1597 CB MET A 101 18.301 -2.278 2.399 1.00 0.00 C ATOM 1598 CG MET A 101 19.314 -1.259 2.915 1.00 0.00 C ATOM 1599 SD MET A 101 20.518 -1.971 4.052 1.00 0.00 S ATOM 1600 CE MET A 101 21.551 -2.914 2.932 1.00 0.00 C ATOM 0 H MET A 101 15.647 -3.382 2.364 1.00 0.00 H new ATOM 0 HA MET A 101 17.895 -3.279 4.273 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.838 -3.125 1.972 1.00 0.00 H new ATOM 0 HB3 MET A 101 17.725 -1.826 1.592 1.00 0.00 H new ATOM 0 HG2 MET A 101 19.840 -0.818 2.068 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.783 -0.450 3.417 1.00 0.00 H new ATOM 0 HE1 MET A 101 21.669 -3.929 3.313 1.00 0.00 H new ATOM 0 HE2 MET A 101 21.084 -2.948 1.948 1.00 0.00 H new ATOM 0 HE3 MET A 101 22.529 -2.440 2.853 1.00 0.00 H new ATOM 1610 N PHE A 102 15.612 -1.087 3.295 1.00 0.00 N ATOM 1611 CA PHE A 102 14.862 0.117 3.680 1.00 0.00 C ATOM 1612 C PHE A 102 13.630 -0.235 4.515 1.00 0.00 C ATOM 1613 O PHE A 102 12.784 0.626 4.768 1.00 0.00 O ATOM 1614 CB PHE A 102 14.421 0.897 2.426 1.00 0.00 C ATOM 1615 CG PHE A 102 15.547 1.484 1.601 1.00 0.00 C ATOM 1616 CD1 PHE A 102 16.821 0.933 1.620 1.00 0.00 C ATOM 1617 CD2 PHE A 102 15.317 2.584 0.786 1.00 0.00 C ATOM 1618 CE1 PHE A 102 17.834 1.462 0.847 1.00 0.00 C ATOM 1619 CE2 PHE A 102 16.332 3.118 0.015 1.00 0.00 C ATOM 1620 CZ PHE A 102 17.591 2.557 0.045 1.00 0.00 C ATOM 0 H PHE A 102 15.344 -1.472 2.389 1.00 0.00 H new ATOM 0 HA PHE A 102 15.525 0.736 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.836 0.232 1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 102 13.759 1.706 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.022 0.078 2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.333 3.028 0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.818 1.018 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.139 3.976 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 102 18.384 2.974 -0.558 1.00 0.00 H new ATOM 1630 N ARG A 103 13.556 -1.488 4.957 1.00 0.00 N ATOM 1631 CA ARG A 103 12.372 -2.015 5.640 1.00 0.00 C ATOM 1632 C ARG A 103 11.937 -1.099 6.786 1.00 0.00 C ATOM 1633 O ARG A 103 10.794 -0.641 6.822 1.00 0.00 O ATOM 1634 CB ARG A 103 12.662 -3.427 6.168 1.00 0.00 C ATOM 1635 CG ARG A 103 11.430 -4.183 6.663 1.00 0.00 C ATOM 1636 CD ARG A 103 11.791 -5.593 7.120 1.00 0.00 C ATOM 1637 NE ARG A 103 10.608 -6.436 7.316 1.00 0.00 N ATOM 1638 CZ ARG A 103 10.305 -7.479 6.540 1.00 0.00 C ATOM 1639 NH1 ARG A 103 11.056 -7.768 5.484 1.00 0.00 N ATOM 1640 NH2 ARG A 103 9.242 -8.224 6.811 1.00 0.00 N ATOM 0 H ARG A 103 14.311 -2.166 4.854 1.00 0.00 H new ATOM 0 HA ARG A 103 11.554 -2.059 4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.135 -4.007 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.381 -3.356 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 103 10.973 -3.637 7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.688 -4.236 5.866 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.445 -6.055 6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.353 -5.537 8.052 1.00 0.00 H new ATOM 0 HE ARG A 103 9.981 -6.213 8.089 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.868 -7.192 5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.821 -8.566 4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.654 -8.001 7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.012 -9.020 6.217 1.00 0.00 H new ATOM 1654 N ALA A 104 12.865 -0.813 7.698 1.00 0.00 N ATOM 1655 CA ALA A 104 12.580 0.022 8.867 1.00 0.00 C ATOM 1656 C ALA A 104 11.920 1.344 8.464 1.00 0.00 C ATOM 1657 O ALA A 104 10.934 1.772 9.071 1.00 0.00 O ATOM 1658 CB ALA A 104 13.862 0.288 9.650 1.00 0.00 C ATOM 0 H ALA A 104 13.827 -1.149 7.650 1.00 0.00 H new ATOM 0 HA ALA A 104 11.880 -0.520 9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.637 0.910 10.516 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.288 -0.658 9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.579 0.803 9.010 1.00 0.00 H new ATOM 1664 N GLN A 105 12.465 1.976 7.427 1.00 0.00 N ATOM 1665 CA GLN A 105 11.937 3.245 6.929 1.00 0.00 C ATOM 1666 C GLN A 105 10.544 3.066 6.325 1.00 0.00 C ATOM 1667 O GLN A 105 9.669 3.922 6.484 1.00 0.00 O ATOM 1668 CB GLN A 105 12.881 3.841 5.877 1.00 0.00 C ATOM 1669 CG GLN A 105 14.180 4.394 6.452 1.00 0.00 C ATOM 1670 CD GLN A 105 15.098 4.962 5.381 1.00 0.00 C ATOM 1671 OE1 GLN A 105 15.807 5.937 5.611 1.00 0.00 O ATOM 1672 NE2 GLN A 105 15.106 4.346 4.206 1.00 0.00 N ATOM 0 H GLN A 105 13.275 1.629 6.913 1.00 0.00 H new ATOM 0 HA GLN A 105 11.862 3.927 7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.119 3.073 5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.361 4.639 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 105 13.949 5.173 7.178 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.701 3.602 6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 105 14.503 3.538 4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.715 4.680 3.459 1.00 0.00 H new ATOM 1681 N GLN A 106 10.344 1.942 5.646 1.00 0.00 N ATOM 1682 CA GLN A 106 9.103 1.691 4.919 1.00 0.00 C ATOM 1683 C GLN A 106 7.918 1.534 5.863 1.00 0.00 C ATOM 1684 O GLN A 106 6.801 1.925 5.530 1.00 0.00 O ATOM 1685 CB GLN A 106 9.240 0.455 4.025 1.00 0.00 C ATOM 1686 CG GLN A 106 10.254 0.627 2.900 1.00 0.00 C ATOM 1687 CD GLN A 106 10.010 1.883 2.077 1.00 0.00 C ATOM 1688 OE1 GLN A 106 8.885 2.359 1.970 1.00 0.00 O ATOM 1689 NE2 GLN A 106 11.063 2.420 1.478 1.00 0.00 N ATOM 0 H GLN A 106 11.027 1.187 5.583 1.00 0.00 H new ATOM 0 HA GLN A 106 8.913 2.561 4.290 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.532 -0.397 4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.267 0.219 3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.258 0.664 3.324 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.216 -0.244 2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.984 1.997 1.590 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.952 3.257 0.905 1.00 0.00 H new ATOM 1698 N LEU A 107 8.156 0.960 7.038 1.00 0.00 N ATOM 1699 CA LEU A 107 7.099 0.822 8.038 1.00 0.00 C ATOM 1700 C LEU A 107 6.678 2.193 8.560 1.00 0.00 C ATOM 1701 O LEU A 107 5.499 2.431 8.821 1.00 0.00 O ATOM 1702 CB LEU A 107 7.534 -0.093 9.196 1.00 0.00 C ATOM 1703 CG LEU A 107 7.409 -1.605 8.922 1.00 0.00 C ATOM 1704 CD1 LEU A 107 8.356 -2.052 7.813 1.00 0.00 C ATOM 1705 CD2 LEU A 107 7.651 -2.405 10.201 1.00 0.00 C ATOM 0 H LEU A 107 9.062 0.586 7.321 1.00 0.00 H new ATOM 0 HA LEU A 107 6.241 0.354 7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.572 0.130 9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 107 6.937 0.151 10.075 1.00 0.00 H new ATOM 0 HG LEU A 107 6.392 -1.799 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.241 -3.123 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.120 -1.514 6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.384 -1.838 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.558 -3.470 9.987 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.653 -2.196 10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.915 -2.121 10.953 1.00 0.00 H new ATOM 1717 N GLN A 108 7.646 3.099 8.689 1.00 0.00 N ATOM 1718 CA GLN A 108 7.360 4.470 9.107 1.00 0.00 C ATOM 1719 C GLN A 108 6.465 5.157 8.076 1.00 0.00 C ATOM 1720 O GLN A 108 5.486 5.813 8.427 1.00 0.00 O ATOM 1721 CB GLN A 108 8.668 5.258 9.304 1.00 0.00 C ATOM 1722 CG GLN A 108 8.468 6.743 9.602 1.00 0.00 C ATOM 1723 CD GLN A 108 7.647 7.005 10.852 1.00 0.00 C ATOM 1724 OE1 GLN A 108 7.660 6.218 11.797 1.00 0.00 O ATOM 1725 NE2 GLN A 108 6.936 8.119 10.869 1.00 0.00 N ATOM 0 H GLN A 108 8.632 2.909 8.511 1.00 0.00 H new ATOM 0 HA GLN A 108 6.833 4.443 10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.230 4.808 10.122 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.277 5.158 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.443 7.218 9.711 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.978 7.214 8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.952 8.746 10.065 1.00 0.00 H new ATOM 0 HE22 GLN A 108 6.372 8.351 11.686 1.00 0.00 H new ATOM 1734 N ILE A 109 6.806 4.982 6.803 1.00 0.00 N ATOM 1735 CA ILE A 109 6.035 5.559 5.703 1.00 0.00 C ATOM 1736 C ILE A 109 4.633 4.950 5.642 1.00 0.00 C ATOM 1737 O ILE A 109 3.629 5.672 5.641 1.00 0.00 O ATOM 1738 CB ILE A 109 6.769 5.358 4.349 1.00 0.00 C ATOM 1739 CG1 ILE A 109 8.015 6.258 4.281 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.845 5.626 3.163 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.717 7.732 4.480 1.00 0.00 C ATOM 0 H ILE A 109 7.618 4.441 6.505 1.00 0.00 H new ATOM 0 HA ILE A 109 5.938 6.629 5.888 1.00 0.00 H new ATOM 0 HB ILE A 109 7.083 4.316 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.727 5.935 5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.498 6.122 3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.393 5.475 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.998 4.941 3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.483 6.653 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.644 8.302 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.030 8.072 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.263 7.882 5.459 1.00 0.00 H new ATOM 1753 N PHE A 110 4.577 3.623 5.613 1.00 0.00 N ATOM 1754 CA PHE A 110 3.314 2.892 5.553 1.00 0.00 C ATOM 1755 C PHE A 110 2.394 3.308 6.702 1.00 0.00 C ATOM 1756 O PHE A 110 1.240 3.681 6.483 1.00 0.00 O ATOM 1757 CB PHE A 110 3.583 1.373 5.587 1.00 0.00 C ATOM 1758 CG PHE A 110 2.335 0.518 5.600 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.681 0.225 6.791 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.817 0.008 4.420 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.540 -0.554 6.798 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.676 -0.770 4.424 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.035 -1.051 5.613 1.00 0.00 C ATOM 0 H PHE A 110 5.403 3.024 5.630 1.00 0.00 H new ATOM 0 HA PHE A 110 2.811 3.136 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.185 1.103 4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.177 1.141 6.471 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.069 0.611 7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.312 0.222 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.043 -0.774 7.731 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.285 -1.159 3.495 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.859 -1.658 5.617 1.00 0.00 H new ATOM 1773 N ASN A 111 2.925 3.264 7.922 1.00 0.00 N ATOM 1774 CA ASN A 111 2.137 3.544 9.124 1.00 0.00 C ATOM 1775 C ASN A 111 1.814 5.033 9.254 1.00 0.00 C ATOM 1776 O ASN A 111 0.925 5.412 10.017 1.00 0.00 O ATOM 1777 CB ASN A 111 2.870 3.043 10.380 1.00 0.00 C ATOM 1778 CG ASN A 111 2.889 1.523 10.489 1.00 0.00 C ATOM 1779 OD1 ASN A 111 1.956 0.844 10.055 1.00 0.00 O ATOM 1780 ND2 ASN A 111 3.954 0.976 11.058 1.00 0.00 N ATOM 0 H ASN A 111 3.902 3.036 8.106 1.00 0.00 H new ATOM 0 HA ASN A 111 1.193 3.007 9.029 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.895 3.414 10.369 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.390 3.460 11.265 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.020 -0.038 11.148 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.707 1.569 11.406 1.00 0.00 H new ATOM 1787 N LEU A 112 2.535 5.871 8.511 1.00 0.00 N ATOM 1788 CA LEU A 112 2.301 7.316 8.530 1.00 0.00 C ATOM 1789 C LEU A 112 1.003 7.660 7.795 1.00 0.00 C ATOM 1790 O LEU A 112 0.034 8.125 8.399 1.00 0.00 O ATOM 1791 CB LEU A 112 3.486 8.056 7.890 1.00 0.00 C ATOM 1792 CG LEU A 112 3.408 9.592 7.918 1.00 0.00 C ATOM 1793 CD1 LEU A 112 3.406 10.112 9.356 1.00 0.00 C ATOM 1794 CD2 LEU A 112 4.557 10.203 7.120 1.00 0.00 C ATOM 0 H LEU A 112 3.286 5.575 7.888 1.00 0.00 H new ATOM 0 HA LEU A 112 2.206 7.636 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.400 7.748 8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.574 7.734 6.852 1.00 0.00 H new ATOM 0 HG LEU A 112 2.470 9.894 7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.350 11.201 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.545 9.708 9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.322 9.799 9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.484 11.290 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.507 9.890 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.501 9.866 6.085 1.00 0.00 H new ATOM 1806 N MET A 113 0.984 7.402 6.490 1.00 0.00 N ATOM 1807 CA MET A 113 -0.184 7.703 5.656 1.00 0.00 C ATOM 1808 C MET A 113 -1.348 6.761 5.976 1.00 0.00 C ATOM 1809 O MET A 113 -2.490 7.008 5.576 1.00 0.00 O ATOM 1810 CB MET A 113 0.185 7.617 4.167 1.00 0.00 C ATOM 1811 CG MET A 113 0.889 6.324 3.772 1.00 0.00 C ATOM 1812 SD MET A 113 1.229 6.234 2.001 1.00 0.00 S ATOM 1813 CE MET A 113 2.274 4.777 1.924 1.00 0.00 C ATOM 0 H MET A 113 1.764 6.984 5.983 1.00 0.00 H new ATOM 0 HA MET A 113 -0.505 8.721 5.878 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.723 7.720 3.573 1.00 0.00 H new ATOM 0 HB3 MET A 113 0.828 8.460 3.914 1.00 0.00 H new ATOM 0 HG2 MET A 113 1.826 6.241 4.323 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.272 5.474 4.064 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.092 4.952 1.225 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.681 4.568 2.913 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.685 3.924 1.587 1.00 0.00 H new ATOM 1823 N LYS A 114 -1.042 5.695 6.714 1.00 0.00 N ATOM 1824 CA LYS A 114 -2.026 4.686 7.111 1.00 0.00 C ATOM 1825 C LYS A 114 -3.262 5.311 7.764 1.00 0.00 C ATOM 1826 O LYS A 114 -4.392 4.961 7.432 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.375 3.693 8.086 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.318 2.624 8.630 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.638 1.775 9.701 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.599 0.777 10.333 1.00 0.00 C ATOM 1831 NZ LYS A 114 -1.973 0.038 11.462 1.00 0.00 N ATOM 0 H LYS A 114 -0.100 5.505 7.056 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.356 4.171 6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.543 3.202 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.956 4.249 8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.206 3.098 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.654 1.983 7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.798 1.239 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.230 2.426 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.484 1.303 10.691 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.934 0.067 9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.661 -0.631 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.143 -0.485 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.677 0.712 12.196 1.00 0.00 H new ATOM 1845 N PHE A 115 -3.048 6.246 8.685 1.00 0.00 N ATOM 1846 CA PHE A 115 -4.144 6.784 9.497 1.00 0.00 C ATOM 1847 C PHE A 115 -4.634 8.143 8.992 1.00 0.00 C ATOM 1848 O PHE A 115 -5.430 8.803 9.665 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.712 6.893 10.973 1.00 0.00 C ATOM 1850 CG PHE A 115 -2.495 7.762 11.211 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -2.614 9.142 11.330 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -1.233 7.197 11.323 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -1.504 9.933 11.555 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -0.119 7.985 11.546 1.00 0.00 C ATOM 1855 CZ PHE A 115 -0.255 9.354 11.662 1.00 0.00 C ATOM 0 H PHE A 115 -2.133 6.647 8.890 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.977 6.087 9.410 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.545 7.290 11.553 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.507 5.892 11.353 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.587 9.602 11.245 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -1.119 6.127 11.235 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.613 11.004 11.647 1.00 0.00 H new ATOM 0 HE2 PHE A 115 0.857 7.530 11.629 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.614 9.971 11.836 1.00 0.00 H new ATOM 1865 N ASP A 116 -4.204 8.548 7.799 1.00 0.00 N ATOM 1866 CA ASP A 116 -4.516 9.894 7.313 1.00 0.00 C ATOM 1867 C ASP A 116 -4.836 9.890 5.825 1.00 0.00 C ATOM 1868 O ASP A 116 -6.002 10.003 5.438 1.00 0.00 O ATOM 1869 CB ASP A 116 -3.360 10.861 7.612 1.00 0.00 C ATOM 1870 CG ASP A 116 -3.688 12.296 7.220 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -4.740 12.811 7.659 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -2.888 12.924 6.489 1.00 0.00 O ATOM 0 H ASP A 116 -3.649 7.978 7.160 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.404 10.238 7.844 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.123 10.823 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.469 10.535 7.075 1.00 0.00 H new ATOM 1877 N SER A 117 -3.808 9.751 4.993 1.00 0.00 N ATOM 1878 CA SER A 117 -3.986 9.734 3.545 1.00 0.00 C ATOM 1879 C SER A 117 -4.928 8.595 3.143 1.00 0.00 C ATOM 1880 O SER A 117 -5.806 8.766 2.298 1.00 0.00 O ATOM 1881 CB SER A 117 -2.625 9.591 2.860 1.00 0.00 C ATOM 1882 OG SER A 117 -1.689 10.508 3.409 1.00 0.00 O ATOM 0 H SER A 117 -2.840 9.648 5.298 1.00 0.00 H new ATOM 0 HA SER A 117 -4.437 10.673 3.224 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.257 8.572 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.730 9.768 1.790 1.00 0.00 H new ATOM 0 HG SER A 117 -1.852 11.401 3.040 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.750 7.438 3.781 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.646 6.297 3.589 1.00 0.00 C ATOM 1890 C TYR A 118 -7.069 6.654 4.007 1.00 0.00 C ATOM 1891 O TYR A 118 -8.023 6.454 3.248 1.00 0.00 O ATOM 1892 CB TYR A 118 -5.146 5.093 4.397 1.00 0.00 C ATOM 1893 CG TYR A 118 -6.189 4.005 4.618 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.613 3.184 3.576 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.743 3.796 5.880 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.553 2.192 3.787 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.682 2.810 6.094 1.00 0.00 C ATOM 1898 CZ TYR A 118 -8.084 2.009 5.047 1.00 0.00 C ATOM 1899 OH TYR A 118 -9.017 1.020 5.266 1.00 0.00 O ATOM 0 H TYR A 118 -3.989 7.266 4.439 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.652 6.037 2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.288 4.658 3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.793 5.443 5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.201 3.324 2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.431 4.418 6.706 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.870 1.563 2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -8.101 2.666 7.079 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.962 0.354 4.549 1.00 0.00 H new ATOM 1909 N ALA A 119 -7.198 7.194 5.218 1.00 0.00 N ATOM 1910 CA ALA A 119 -8.501 7.573 5.762 1.00 0.00 C ATOM 1911 C ALA A 119 -9.201 8.568 4.840 1.00 0.00 C ATOM 1912 O ALA A 119 -10.431 8.596 4.747 1.00 0.00 O ATOM 1913 CB ALA A 119 -8.336 8.164 7.158 1.00 0.00 C ATOM 0 H ALA A 119 -6.413 7.379 5.843 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.121 6.679 5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.313 8.443 7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.877 7.425 7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.700 9.048 7.106 1.00 0.00 H new ATOM 1919 N ARG A 120 -8.395 9.367 4.153 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.889 10.389 3.239 1.00 0.00 C ATOM 1921 C ARG A 120 -9.217 9.791 1.870 1.00 0.00 C ATOM 1922 O ARG A 120 -10.168 10.222 1.218 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.847 11.509 3.126 1.00 0.00 C ATOM 1924 CG ARG A 120 -8.179 12.607 2.116 1.00 0.00 C ATOM 1925 CD ARG A 120 -7.397 13.889 2.410 1.00 0.00 C ATOM 1926 NE ARG A 120 -5.982 13.626 2.696 1.00 0.00 N ATOM 1927 CZ ARG A 120 -5.433 13.695 3.915 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -6.175 14.009 4.971 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -4.145 13.442 4.075 1.00 0.00 N ATOM 0 H ARG A 120 -7.378 9.325 4.214 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.816 10.806 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -7.721 11.966 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.889 11.066 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.947 12.260 1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -9.248 12.817 2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.474 14.562 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.848 14.400 3.260 1.00 0.00 H new ATOM 0 HE ARG A 120 -5.377 13.374 1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.170 14.200 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.749 14.060 5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.570 13.194 3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -3.726 13.495 5.004 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.451 8.781 1.450 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.686 8.124 0.162 1.00 0.00 C ATOM 1945 C PHE A 121 -10.103 7.566 0.097 1.00 0.00 C ATOM 1946 O PHE A 121 -10.873 7.899 -0.803 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.675 6.991 -0.083 1.00 0.00 C ATOM 1948 CG PHE A 121 -7.935 6.236 -1.368 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -7.482 6.729 -2.581 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.651 5.045 -1.364 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -7.733 6.057 -3.761 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.902 4.368 -2.541 1.00 0.00 C ATOM 1953 CZ PHE A 121 -8.443 4.874 -3.743 1.00 0.00 C ATOM 0 H PHE A 121 -7.666 8.402 1.980 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.557 8.876 -0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.669 7.409 -0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.708 6.294 0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -6.924 7.653 -2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -9.015 4.644 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.374 6.457 -4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.458 3.442 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 121 -8.639 4.345 -4.664 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.443 6.726 1.070 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.763 6.102 1.120 1.00 0.00 C ATOM 1965 C VAL A 122 -12.852 7.147 1.380 1.00 0.00 C ATOM 1966 O VAL A 122 -14.044 6.872 1.230 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.829 5.000 2.209 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.828 3.884 1.908 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.583 5.591 3.601 1.00 0.00 C ATOM 0 H VAL A 122 -9.823 6.461 1.835 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.937 5.640 0.148 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.831 4.572 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.890 3.121 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -11.060 3.438 0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.819 4.297 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -11.634 4.798 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.597 6.054 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -12.343 6.342 3.817 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.422 8.344 1.775 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.329 9.456 2.045 1.00 0.00 C ATOM 1981 C LYS A 123 -13.522 10.308 0.787 1.00 0.00 C ATOM 1982 O LYS A 123 -14.508 11.038 0.662 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.758 10.315 3.185 1.00 0.00 C ATOM 1984 CG LYS A 123 -13.706 11.397 3.697 1.00 0.00 C ATOM 1985 CD LYS A 123 -13.045 12.288 4.749 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.487 11.482 5.922 1.00 0.00 C ATOM 1987 NZ LYS A 123 -13.543 10.725 6.649 1.00 0.00 N ATOM 0 H LYS A 123 -11.437 8.569 1.916 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.300 9.060 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.489 9.662 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -11.838 10.788 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.041 12.011 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.593 10.929 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.239 12.857 4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -13.773 13.010 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -11.734 10.785 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.985 12.157 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -13.118 10.223 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -14.267 11.386 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -13.982 10.037 6.005 1.00 0.00 H new ATOM 2001 N SER A 124 -12.576 10.202 -0.144 1.00 0.00 N ATOM 2002 CA SER A 124 -12.615 10.981 -1.379 1.00 0.00 C ATOM 2003 C SER A 124 -13.726 10.480 -2.309 1.00 0.00 C ATOM 2004 O SER A 124 -13.963 9.273 -2.413 1.00 0.00 O ATOM 2005 CB SER A 124 -11.255 10.912 -2.087 1.00 0.00 C ATOM 2006 OG SER A 124 -10.224 11.420 -1.257 1.00 0.00 O ATOM 0 H SER A 124 -11.770 9.582 -0.065 1.00 0.00 H new ATOM 0 HA SER A 124 -12.831 12.019 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.034 9.880 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.295 11.483 -3.015 1.00 0.00 H new ATOM 0 HG SER A 124 -10.196 10.910 -0.421 1.00 0.00 H new ATOM 2012 N PRO A 125 -14.423 11.406 -3.002 1.00 0.00 N ATOM 2013 CA PRO A 125 -15.527 11.057 -3.911 1.00 0.00 C ATOM 2014 C PRO A 125 -15.074 10.155 -5.059 1.00 0.00 C ATOM 2015 O PRO A 125 -15.885 9.448 -5.653 1.00 0.00 O ATOM 2016 CB PRO A 125 -16.008 12.418 -4.444 1.00 0.00 C ATOM 2017 CG PRO A 125 -15.504 13.415 -3.457 1.00 0.00 C ATOM 2018 CD PRO A 125 -14.203 12.862 -2.947 1.00 0.00 C ATOM 0 HA PRO A 125 -16.307 10.492 -3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.613 12.614 -5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.095 12.451 -4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -15.359 14.389 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -16.216 13.554 -2.643 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.362 13.168 -3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.989 13.201 -1.933 1.00 0.00 H new ATOM 2026 N LEU A 126 -13.773 10.178 -5.351 1.00 0.00 N ATOM 2027 CA LEU A 126 -13.191 9.337 -6.401 1.00 0.00 C ATOM 2028 C LEU A 126 -13.514 7.862 -6.121 1.00 0.00 C ATOM 2029 O LEU A 126 -13.624 7.047 -7.039 1.00 0.00 O ATOM 2030 CB LEU A 126 -11.664 9.569 -6.469 1.00 0.00 C ATOM 2031 CG LEU A 126 -11.001 9.407 -7.857 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -9.532 9.823 -7.802 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.125 7.975 -8.374 1.00 0.00 C ATOM 0 H LEU A 126 -13.097 10.774 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 126 -13.621 9.604 -7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.456 10.576 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.183 8.876 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.528 10.061 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.082 9.702 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.461 10.867 -7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.003 9.197 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.648 7.898 -9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -10.637 7.293 -7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.179 7.710 -8.463 1.00 0.00 H new ATOM 2045 N TYR A 127 -13.693 7.545 -4.837 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.064 6.201 -4.397 1.00 0.00 C ATOM 2047 C TYR A 127 -15.298 5.704 -5.164 1.00 0.00 C ATOM 2048 O TYR A 127 -15.406 4.520 -5.483 1.00 0.00 O ATOM 2049 CB TYR A 127 -14.323 6.225 -2.880 1.00 0.00 C ATOM 2050 CG TYR A 127 -14.623 4.875 -2.251 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.633 3.904 -2.124 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -15.894 4.579 -1.770 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.903 2.679 -1.541 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -16.171 3.360 -1.183 1.00 0.00 C ATOM 2055 CZ TYR A 127 -15.174 2.412 -1.071 1.00 0.00 C ATOM 2056 OH TYR A 127 -15.453 1.196 -0.488 1.00 0.00 O ATOM 0 H TYR A 127 -13.585 8.213 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 127 -13.249 5.508 -4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -13.450 6.652 -2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -15.160 6.894 -2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.637 4.111 -2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -16.679 5.316 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -13.124 1.936 -1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -17.164 3.149 -0.813 1.00 0.00 H new ATOM 0 HH TYR A 127 -16.393 1.174 -0.212 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.208 6.628 -5.479 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.388 6.322 -6.291 1.00 0.00 C ATOM 2068 C ARG A 128 -16.972 5.817 -7.674 1.00 0.00 C ATOM 2069 O ARG A 128 -17.408 4.747 -8.107 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.283 7.572 -6.409 1.00 0.00 C ATOM 2071 CG ARG A 128 -19.230 7.577 -7.613 1.00 0.00 C ATOM 2072 CD ARG A 128 -20.273 6.468 -7.554 1.00 0.00 C ATOM 2073 NE ARG A 128 -21.044 6.395 -8.800 1.00 0.00 N ATOM 2074 CZ ARG A 128 -22.313 5.992 -8.886 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -22.977 5.633 -7.795 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -22.918 5.952 -10.070 1.00 0.00 N ATOM 0 H ARG A 128 -16.149 7.602 -5.181 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.958 5.532 -5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.876 7.664 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -17.645 8.454 -6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -19.735 8.541 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -18.647 7.471 -8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -19.781 5.513 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -20.948 6.644 -6.716 1.00 0.00 H new ATOM 0 HE ARG A 128 -20.576 6.672 -9.663 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -22.518 5.664 -6.885 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -23.947 5.326 -7.866 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -22.412 6.229 -10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -23.888 5.644 -10.137 1.00 0.00 H new ATOM 2090 N GLU A 129 -16.121 6.587 -8.354 1.00 0.00 N ATOM 2091 CA GLU A 129 -15.652 6.226 -9.694 1.00 0.00 C ATOM 2092 C GLU A 129 -14.932 4.877 -9.679 1.00 0.00 C ATOM 2093 O GLU A 129 -14.932 4.151 -10.676 1.00 0.00 O ATOM 2094 CB GLU A 129 -14.715 7.305 -10.270 1.00 0.00 C ATOM 2095 CG GLU A 129 -15.400 8.628 -10.612 1.00 0.00 C ATOM 2096 CD GLU A 129 -15.625 9.528 -9.405 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -16.657 9.377 -8.722 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -14.776 10.410 -9.153 1.00 0.00 O ATOM 0 H GLU A 129 -15.742 7.465 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 129 -16.532 6.151 -10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -13.920 7.499 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -14.242 6.913 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -14.795 9.162 -11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -16.361 8.419 -11.083 1.00 0.00 H new ATOM 2105 N CYS A 130 -14.310 4.554 -8.552 1.00 0.00 N ATOM 2106 CA CYS A 130 -13.595 3.291 -8.400 1.00 0.00 C ATOM 2107 C CYS A 130 -14.563 2.130 -8.155 1.00 0.00 C ATOM 2108 O CYS A 130 -14.266 0.983 -8.489 1.00 0.00 O ATOM 2109 CB CYS A 130 -12.595 3.393 -7.245 1.00 0.00 C ATOM 2110 SG CYS A 130 -11.339 4.674 -7.466 1.00 0.00 S ATOM 0 H CYS A 130 -14.286 5.152 -7.726 1.00 0.00 H new ATOM 0 HA CYS A 130 -13.058 3.092 -9.327 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -13.141 3.590 -6.322 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.099 2.430 -7.122 1.00 0.00 H new ATOM 0 HG CYS A 130 -10.543 4.684 -6.438 1.00 0.00 H new