USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 ASN : amide:sc= -2.73! C(o=-3.1!,f=-6.8!) USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.375 X(o=-3.1,f=-3.2) USER MOD Single : A 15 SER OG : rot -64:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -141:sc= -3.97! (180deg=-5.88!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 153:sc= -0.113 (180deg=-0.576) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00425 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0431 K(o=-0.043,f=-0.89) USER MOD Single : A 67 THR OG1 : rot -11:sc= 0.861 USER MOD Single : A 71 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 72 THR OG1 : rot 90:sc= 0.896 USER MOD Single : A 73 HIS : no HE2:sc= -2.01 K(o=-2,f=-2.8) USER MOD Single : A 75 MET CE :methyl -116:sc= -2.36! (180deg=-3.55!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.741 9.197 2.067 1.00 0.00 N ATOM 81 CA ALA A 9 9.650 8.295 1.717 1.00 0.00 C ATOM 82 C ALA A 9 9.738 7.869 0.256 1.00 0.00 C ATOM 83 O ALA A 9 10.363 8.545 -0.562 1.00 0.00 O ATOM 84 CB ALA A 9 8.309 8.957 1.996 1.00 0.00 C ATOM 0 HA ALA A 9 9.737 7.401 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.503 8.273 1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.239 9.206 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.222 9.867 1.403 1.00 0.00 H new ATOM 90 N ARG A 10 9.109 6.744 -0.067 1.00 0.00 N ATOM 91 CA ARG A 10 9.119 6.227 -1.430 1.00 0.00 C ATOM 92 C ARG A 10 7.707 6.195 -2.009 1.00 0.00 C ATOM 93 O ARG A 10 6.720 6.023 -1.293 1.00 0.00 O ATOM 94 CB ARG A 10 9.726 4.823 -1.461 1.00 0.00 C ATOM 95 CG ARG A 10 11.171 4.774 -0.993 1.00 0.00 C ATOM 96 CD ARG A 10 11.883 3.534 -1.511 1.00 0.00 C ATOM 97 NE ARG A 10 13.135 3.284 -0.801 1.00 0.00 N ATOM 98 CZ ARG A 10 14.279 3.892 -1.095 1.00 0.00 C ATOM 99 NH1 ARG A 10 14.329 4.779 -2.079 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.377 3.613 -0.403 1.00 0.00 N ATOM 0 H ARG A 10 8.586 6.173 0.597 1.00 0.00 H new ATOM 0 HA ARG A 10 9.729 6.893 -2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.127 4.163 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.669 4.434 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.696 5.666 -1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.202 4.784 0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.228 2.669 -1.406 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.087 3.651 -2.575 1.00 0.00 H new ATOM 0 HE ARG A 10 13.131 2.606 -0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.488 4.996 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.209 5.244 -2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.343 2.931 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.255 4.080 -0.629 1.00 0.00 H new ATOM 114 N PRO A 11 7.608 6.365 -3.335 1.00 0.00 N ATOM 115 CA PRO A 11 6.322 6.359 -4.040 1.00 0.00 C ATOM 116 C PRO A 11 5.684 4.975 -4.071 1.00 0.00 C ATOM 117 O PRO A 11 6.380 3.959 -4.097 1.00 0.00 O ATOM 118 CB PRO A 11 6.692 6.809 -5.456 1.00 0.00 C ATOM 119 CG PRO A 11 8.123 6.428 -5.612 1.00 0.00 C ATOM 120 CD PRO A 11 8.742 6.574 -4.250 1.00 0.00 C ATOM 0 HA PRO A 11 5.587 6.999 -3.552 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.068 6.319 -6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.552 7.883 -5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.217 5.405 -5.975 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.621 7.071 -6.338 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.531 5.840 -4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.190 7.558 -4.116 1.00 0.00 H new ATOM 128 N PHE A 12 4.356 4.941 -4.068 1.00 0.00 N ATOM 129 CA PHE A 12 3.623 3.680 -4.095 1.00 0.00 C ATOM 130 C PHE A 12 2.210 3.883 -4.637 1.00 0.00 C ATOM 131 O PHE A 12 1.593 4.925 -4.416 1.00 0.00 O ATOM 132 CB PHE A 12 3.561 3.072 -2.692 1.00 0.00 C ATOM 133 CG PHE A 12 4.911 2.872 -2.066 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.774 1.898 -2.544 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.317 3.656 -0.998 1.00 0.00 C ATOM 136 CE1 PHE A 12 7.017 1.711 -1.968 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.559 3.475 -0.421 1.00 0.00 C ATOM 138 CZ PHE A 12 7.409 2.500 -0.905 1.00 0.00 C ATOM 0 H PHE A 12 3.765 5.772 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 12 4.152 2.995 -4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.964 3.720 -2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.047 2.112 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.472 1.278 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.655 4.417 -0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.680 0.949 -2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.865 4.096 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.379 2.355 -0.453 1.00 0.00 H new ATOM 148 N ARG A 13 1.706 2.880 -5.347 1.00 0.00 N ATOM 149 CA ARG A 13 0.368 2.948 -5.922 1.00 0.00 C ATOM 150 C ARG A 13 -0.640 2.215 -5.042 1.00 0.00 C ATOM 151 O ARG A 13 -0.279 1.314 -4.284 1.00 0.00 O ATOM 152 CB ARG A 13 0.364 2.348 -7.330 1.00 0.00 C ATOM 153 CG ARG A 13 0.656 3.361 -8.424 1.00 0.00 C ATOM 154 CD ARG A 13 -0.615 4.042 -8.907 1.00 0.00 C ATOM 155 NE ARG A 13 -1.235 3.322 -10.016 1.00 0.00 N ATOM 156 CZ ARG A 13 -0.851 3.450 -11.282 1.00 0.00 C ATOM 157 NH1 ARG A 13 0.146 4.267 -11.596 1.00 0.00 N ATOM 158 NH2 ARG A 13 -1.463 2.762 -12.235 1.00 0.00 N ATOM 0 H ARG A 13 2.204 2.010 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 13 0.078 3.997 -5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.105 1.550 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.608 1.892 -7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.352 4.111 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.144 2.863 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.323 4.115 -8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.384 5.060 -9.220 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.005 2.686 -9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.619 4.798 -10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.439 4.364 -12.568 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.230 2.133 -11.997 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.167 2.861 -13.206 1.00 0.00 H new ATOM 172 N VAL A 14 -1.905 2.607 -5.149 1.00 0.00 N ATOM 173 CA VAL A 14 -2.966 1.987 -4.363 1.00 0.00 C ATOM 174 C VAL A 14 -4.255 1.875 -5.170 1.00 0.00 C ATOM 175 O VAL A 14 -4.571 2.748 -5.978 1.00 0.00 O ATOM 176 CB VAL A 14 -3.249 2.782 -3.074 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.211 2.021 -2.176 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.951 3.088 -2.342 1.00 0.00 C ATOM 0 H VAL A 14 -2.221 3.351 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.619 0.989 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.718 3.728 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.398 2.599 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.151 1.859 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.775 1.059 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.169 3.650 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.452 2.155 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.300 3.679 -2.987 1.00 0.00 H new ATOM 188 N SER A 15 -4.994 0.794 -4.947 1.00 0.00 N ATOM 189 CA SER A 15 -6.247 0.564 -5.657 1.00 0.00 C ATOM 190 C SER A 15 -7.264 -0.130 -4.755 1.00 0.00 C ATOM 191 O SER A 15 -6.897 -0.885 -3.855 1.00 0.00 O ATOM 192 CB SER A 15 -6.001 -0.279 -6.910 1.00 0.00 C ATOM 193 OG SER A 15 -5.236 0.437 -7.864 1.00 0.00 O ATOM 0 H SER A 15 -4.747 0.063 -4.280 1.00 0.00 H new ATOM 0 HA SER A 15 -6.651 1.532 -5.953 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.481 -1.198 -6.638 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.955 -0.571 -7.349 1.00 0.00 H new ATOM 0 HG SER A 15 -5.741 1.220 -8.168 1.00 0.00 H new ATOM 199 N ASN A 16 -8.542 0.133 -5.004 1.00 0.00 N ATOM 200 CA ASN A 16 -9.613 -0.465 -4.214 1.00 0.00 C ATOM 201 C ASN A 16 -9.857 -1.910 -4.636 1.00 0.00 C ATOM 202 O ASN A 16 -9.208 -2.421 -5.551 1.00 0.00 O ATOM 203 CB ASN A 16 -10.901 0.347 -4.366 1.00 0.00 C ATOM 204 CG ASN A 16 -11.734 -0.106 -5.549 1.00 0.00 C ATOM 205 OD1 ASN A 16 -12.824 -0.654 -5.382 1.00 0.00 O ATOM 206 ND2 ASN A 16 -11.223 0.120 -6.753 1.00 0.00 N ATOM 0 H ASN A 16 -8.862 0.756 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.308 -0.457 -3.168 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.492 0.260 -3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.651 1.401 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.737 -0.164 -7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.316 0.577 -6.844 1.00 0.00 H new ATOM 213 N HIS A 17 -10.797 -2.567 -3.963 1.00 0.00 N ATOM 214 CA HIS A 17 -11.129 -3.954 -4.269 1.00 0.00 C ATOM 215 C HIS A 17 -11.457 -4.121 -5.749 1.00 0.00 C ATOM 216 O HIS A 17 -11.108 -5.129 -6.363 1.00 0.00 O ATOM 217 CB HIS A 17 -12.311 -4.418 -3.416 1.00 0.00 C ATOM 218 CG HIS A 17 -13.643 -4.017 -3.971 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.417 -4.853 -4.747 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.337 -2.861 -3.857 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.530 -4.228 -5.088 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.507 -3.017 -4.560 1.00 0.00 N ATOM 0 H HIS A 17 -11.342 -2.161 -3.202 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.260 -4.569 -4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.277 -5.503 -3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.207 -4.008 -2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.029 -1.980 -3.314 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.324 -4.637 -5.695 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.238 -2.313 -4.658 1.00 0.00 H new ATOM 231 N ASP A 18 -12.131 -3.127 -6.316 1.00 0.00 N ATOM 232 CA ASP A 18 -12.506 -3.163 -7.725 1.00 0.00 C ATOM 233 C ASP A 18 -11.316 -2.817 -8.614 1.00 0.00 C ATOM 234 O ASP A 18 -11.467 -2.619 -9.819 1.00 0.00 O ATOM 235 CB ASP A 18 -13.658 -2.193 -7.993 1.00 0.00 C ATOM 236 CG ASP A 18 -14.313 -2.428 -9.339 1.00 0.00 C ATOM 237 OD1 ASP A 18 -15.065 -3.417 -9.469 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.073 -1.624 -10.264 1.00 0.00 O ATOM 0 H ASP A 18 -12.429 -2.286 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.831 -4.176 -7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.405 -2.295 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.285 -1.170 -7.948 1.00 0.00 H new ATOM 243 N ARG A 19 -10.134 -2.746 -8.010 1.00 0.00 N ATOM 244 CA ARG A 19 -8.919 -2.422 -8.746 1.00 0.00 C ATOM 245 C ARG A 19 -9.212 -1.435 -9.873 1.00 0.00 C ATOM 246 O ARG A 19 -8.738 -1.603 -10.997 1.00 0.00 O ATOM 247 CB ARG A 19 -8.289 -3.694 -9.319 1.00 0.00 C ATOM 248 CG ARG A 19 -7.290 -4.353 -8.382 1.00 0.00 C ATOM 249 CD ARG A 19 -6.667 -5.588 -9.014 1.00 0.00 C ATOM 250 NE ARG A 19 -5.540 -5.251 -9.879 1.00 0.00 N ATOM 251 CZ ARG A 19 -4.573 -6.106 -10.192 1.00 0.00 C ATOM 252 NH1 ARG A 19 -4.595 -7.343 -9.716 1.00 0.00 N ATOM 253 NH2 ARG A 19 -3.580 -5.724 -10.986 1.00 0.00 N ATOM 0 H ARG A 19 -9.993 -2.909 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.218 -1.958 -8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.079 -4.407 -9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.790 -3.451 -10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.507 -3.640 -8.123 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.788 -4.630 -7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.332 -6.267 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.422 -6.119 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.493 -4.308 -10.264 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.357 -7.642 -9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.850 -7.996 -9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.560 -4.774 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.838 -6.381 -11.226 1.00 0.00 H new ATOM 267 N SER A 20 -9.997 -0.408 -9.564 1.00 0.00 N ATOM 268 CA SER A 20 -10.357 0.603 -10.550 1.00 0.00 C ATOM 269 C SER A 20 -9.743 1.952 -10.194 1.00 0.00 C ATOM 270 O SER A 20 -9.313 2.703 -11.071 1.00 0.00 O ATOM 271 CB SER A 20 -11.878 0.732 -10.647 1.00 0.00 C ATOM 272 OG SER A 20 -12.266 1.268 -11.900 1.00 0.00 O ATOM 0 H SER A 20 -10.396 -0.254 -8.638 1.00 0.00 H new ATOM 0 HA SER A 20 -9.964 0.288 -11.517 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.339 -0.246 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.244 1.373 -9.845 1.00 0.00 H new ATOM 0 HG SER A 20 -13.243 1.339 -11.937 1.00 0.00 H new ATOM 278 N SER A 21 -9.703 2.255 -8.900 1.00 0.00 N ATOM 279 CA SER A 21 -9.146 3.517 -8.428 1.00 0.00 C ATOM 280 C SER A 21 -7.629 3.421 -8.287 1.00 0.00 C ATOM 281 O SER A 21 -7.091 2.365 -7.954 1.00 0.00 O ATOM 282 CB SER A 21 -9.769 3.903 -7.085 1.00 0.00 C ATOM 283 OG SER A 21 -11.053 4.476 -7.266 1.00 0.00 O ATOM 0 H SER A 21 -10.050 1.644 -8.160 1.00 0.00 H new ATOM 0 HA SER A 21 -9.379 4.287 -9.164 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.847 3.021 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.120 4.611 -6.569 1.00 0.00 H new ATOM 0 HG SER A 21 -11.431 4.713 -6.394 1.00 0.00 H new ATOM 289 N ARG A 22 -6.946 4.531 -8.545 1.00 0.00 N ATOM 290 CA ARG A 22 -5.491 4.574 -8.449 1.00 0.00 C ATOM 291 C ARG A 22 -5.036 5.772 -7.623 1.00 0.00 C ATOM 292 O ARG A 22 -5.217 6.921 -8.026 1.00 0.00 O ATOM 293 CB ARG A 22 -4.869 4.636 -9.845 1.00 0.00 C ATOM 294 CG ARG A 22 -5.068 3.367 -10.658 1.00 0.00 C ATOM 295 CD ARG A 22 -5.072 3.657 -12.151 1.00 0.00 C ATOM 296 NE ARG A 22 -5.833 2.661 -12.901 1.00 0.00 N ATOM 297 CZ ARG A 22 -5.670 2.436 -14.200 1.00 0.00 C ATOM 298 NH1 ARG A 22 -4.777 3.133 -14.889 1.00 0.00 N ATOM 299 NH2 ARG A 22 -6.401 1.513 -14.810 1.00 0.00 N ATOM 0 H ARG A 22 -7.376 5.413 -8.822 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.157 3.664 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.300 5.477 -10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.801 4.832 -9.749 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.274 2.657 -10.426 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.009 2.896 -10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.497 4.645 -12.327 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.046 3.681 -12.518 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.528 2.108 -12.400 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.214 3.843 -14.422 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.653 2.959 -15.886 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.089 0.976 -14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.276 1.340 -15.807 1.00 0.00 H new ATOM 313 N ARG A 23 -4.444 5.497 -6.465 1.00 0.00 N ATOM 314 CA ARG A 23 -3.965 6.552 -5.582 1.00 0.00 C ATOM 315 C ARG A 23 -2.478 6.375 -5.281 1.00 0.00 C ATOM 316 O ARG A 23 -2.055 5.334 -4.782 1.00 0.00 O ATOM 317 CB ARG A 23 -4.763 6.556 -4.277 1.00 0.00 C ATOM 318 CG ARG A 23 -4.895 7.934 -3.649 1.00 0.00 C ATOM 319 CD ARG A 23 -3.583 8.398 -3.039 1.00 0.00 C ATOM 320 NE ARG A 23 -3.507 9.853 -2.942 1.00 0.00 N ATOM 321 CZ ARG A 23 -3.433 10.657 -3.997 1.00 0.00 C ATOM 322 NH1 ARG A 23 -3.422 10.150 -5.221 1.00 0.00 N ATOM 323 NH2 ARG A 23 -3.367 11.971 -3.827 1.00 0.00 N ATOM 0 H ARG A 23 -4.285 4.551 -6.117 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.105 7.507 -6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.759 6.156 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.282 5.886 -3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.219 8.650 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.667 7.912 -2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.471 7.963 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.753 8.031 -3.643 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.511 10.275 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.470 9.140 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.365 10.770 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.373 12.364 -2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.310 12.588 -4.637 1.00 0.00 H new ATOM 337 N GLY A 24 -1.692 7.402 -5.590 1.00 0.00 N ATOM 338 CA GLY A 24 -0.262 7.339 -5.346 1.00 0.00 C ATOM 339 C GLY A 24 0.119 7.890 -3.987 1.00 0.00 C ATOM 340 O GLY A 24 0.075 9.100 -3.763 1.00 0.00 O ATOM 0 H GLY A 24 -2.019 8.275 -6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.071 6.304 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.261 7.899 -6.121 1.00 0.00 H new ATOM 344 N VAL A 25 0.493 6.999 -3.073 1.00 0.00 N ATOM 345 CA VAL A 25 0.883 7.402 -1.727 1.00 0.00 C ATOM 346 C VAL A 25 2.346 7.072 -1.457 1.00 0.00 C ATOM 347 O VAL A 25 2.860 6.056 -1.925 1.00 0.00 O ATOM 348 CB VAL A 25 0.007 6.717 -0.661 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.289 7.299 0.716 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.466 6.852 -1.015 1.00 0.00 C ATOM 0 H VAL A 25 0.534 5.994 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 25 0.740 8.481 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 25 0.255 5.656 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.339 6.803 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.338 7.145 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.070 8.367 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.070 6.362 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.732 7.908 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.653 6.383 -1.981 1.00 0.00 H new ATOM 360 N MET A 26 3.011 7.936 -0.697 1.00 0.00 N ATOM 361 CA MET A 26 4.417 7.734 -0.362 1.00 0.00 C ATOM 362 C MET A 26 4.615 7.699 1.150 1.00 0.00 C ATOM 363 O MET A 26 3.990 8.462 1.886 1.00 0.00 O ATOM 364 CB MET A 26 5.272 8.844 -0.975 1.00 0.00 C ATOM 365 CG MET A 26 4.959 10.227 -0.427 1.00 0.00 C ATOM 366 SD MET A 26 6.057 11.499 -1.081 1.00 0.00 S ATOM 367 CE MET A 26 7.628 10.637 -1.053 1.00 0.00 C ATOM 0 H MET A 26 2.600 8.782 -0.302 1.00 0.00 H new ATOM 0 HA MET A 26 4.730 6.775 -0.774 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.324 8.621 -0.796 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.126 8.849 -2.055 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.928 10.484 -0.668 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.037 10.209 0.660 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.415 11.325 -0.745 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.575 9.807 -0.349 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.851 10.254 -2.049 1.00 0.00 H new ATOM 377 N ALA A 27 5.490 6.808 1.607 1.00 0.00 N ATOM 378 CA ALA A 27 5.772 6.675 3.030 1.00 0.00 C ATOM 379 C ALA A 27 7.118 5.998 3.262 1.00 0.00 C ATOM 380 O ALA A 27 7.550 5.164 2.467 1.00 0.00 O ATOM 381 CB ALA A 27 4.662 5.895 3.718 1.00 0.00 C ATOM 0 H ALA A 27 6.015 6.168 1.011 1.00 0.00 H new ATOM 0 HA ALA A 27 5.819 7.675 3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.886 5.804 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.715 6.420 3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.588 4.901 3.276 1.00 0.00 H new ATOM 387 N SER A 28 7.779 6.364 4.357 1.00 0.00 N ATOM 388 CA SER A 28 9.079 5.795 4.690 1.00 0.00 C ATOM 389 C SER A 28 8.932 4.361 5.192 1.00 0.00 C ATOM 390 O SER A 28 9.849 3.550 5.064 1.00 0.00 O ATOM 391 CB SER A 28 9.776 6.649 5.751 1.00 0.00 C ATOM 392 OG SER A 28 8.968 6.786 6.907 1.00 0.00 O ATOM 0 H SER A 28 7.435 7.052 5.027 1.00 0.00 H new ATOM 0 HA SER A 28 9.686 5.785 3.785 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.728 6.193 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.999 7.634 5.341 1.00 0.00 H new ATOM 0 HG SER A 28 9.436 7.334 7.570 1.00 0.00 H new ATOM 398 N SER A 29 7.771 4.057 5.764 1.00 0.00 N ATOM 399 CA SER A 29 7.504 2.723 6.288 1.00 0.00 C ATOM 400 C SER A 29 6.133 2.227 5.839 1.00 0.00 C ATOM 401 O SER A 29 5.446 2.888 5.057 1.00 0.00 O ATOM 402 CB SER A 29 7.581 2.728 7.816 1.00 0.00 C ATOM 403 OG SER A 29 8.717 3.445 8.266 1.00 0.00 O ATOM 0 H SER A 29 7.001 4.716 5.876 1.00 0.00 H new ATOM 0 HA SER A 29 8.263 2.046 5.895 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.677 3.177 8.228 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.624 1.703 8.185 1.00 0.00 H new ATOM 0 HG SER A 29 8.743 3.435 9.246 1.00 0.00 H new ATOM 409 N LEU A 30 5.739 1.061 6.339 1.00 0.00 N ATOM 410 CA LEU A 30 4.449 0.475 5.990 1.00 0.00 C ATOM 411 C LEU A 30 3.326 1.106 6.806 1.00 0.00 C ATOM 412 O LEU A 30 2.376 1.656 6.249 1.00 0.00 O ATOM 413 CB LEU A 30 4.475 -1.036 6.220 1.00 0.00 C ATOM 414 CG LEU A 30 3.150 -1.771 6.006 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.848 -1.903 4.522 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.186 -3.140 6.668 1.00 0.00 C ATOM 0 H LEU A 30 6.294 0.503 6.987 1.00 0.00 H new ATOM 0 HA LEU A 30 4.261 0.673 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.221 -1.472 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.810 -1.222 7.240 1.00 0.00 H new ATOM 0 HG LEU A 30 2.354 -1.187 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.902 -2.428 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.779 -0.911 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.646 -2.464 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.235 -3.648 6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.992 -3.732 6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.356 -3.022 7.738 1.00 0.00 H new ATOM 428 N GLN A 31 3.443 1.024 8.127 1.00 0.00 N ATOM 429 CA GLN A 31 2.438 1.588 9.020 1.00 0.00 C ATOM 430 C GLN A 31 2.013 2.976 8.552 1.00 0.00 C ATOM 431 O GLN A 31 0.821 3.278 8.476 1.00 0.00 O ATOM 432 CB GLN A 31 2.978 1.662 10.450 1.00 0.00 C ATOM 433 CG GLN A 31 2.060 2.404 11.409 1.00 0.00 C ATOM 434 CD GLN A 31 0.911 1.544 11.897 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.121 0.476 12.474 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.313 2.006 11.669 1.00 0.00 N ATOM 0 H GLN A 31 4.224 0.572 8.603 1.00 0.00 H new ATOM 0 HA GLN A 31 1.566 0.935 9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.137 0.650 10.822 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.951 2.154 10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.639 2.751 12.265 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.662 3.289 10.913 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.441 2.896 11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.125 1.471 11.976 1.00 0.00 H new ATOM 445 N GLU A 32 2.993 3.817 8.239 1.00 0.00 N ATOM 446 CA GLU A 32 2.720 5.173 7.780 1.00 0.00 C ATOM 447 C GLU A 32 1.813 5.159 6.552 1.00 0.00 C ATOM 448 O GLU A 32 0.759 5.796 6.537 1.00 0.00 O ATOM 449 CB GLU A 32 4.026 5.899 7.454 1.00 0.00 C ATOM 450 CG GLU A 32 3.823 7.254 6.796 1.00 0.00 C ATOM 451 CD GLU A 32 4.936 8.232 7.118 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.512 8.135 8.222 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.230 9.096 6.265 1.00 0.00 O ATOM 0 H GLU A 32 3.984 3.583 8.295 1.00 0.00 H new ATOM 0 HA GLU A 32 2.209 5.704 8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.596 6.033 8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.626 5.271 6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.761 7.123 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.871 7.673 7.122 1.00 0.00 H new ATOM 460 N LEU A 33 2.231 4.430 5.524 1.00 0.00 N ATOM 461 CA LEU A 33 1.458 4.331 4.291 1.00 0.00 C ATOM 462 C LEU A 33 0.000 3.994 4.587 1.00 0.00 C ATOM 463 O LEU A 33 -0.892 4.818 4.382 1.00 0.00 O ATOM 464 CB LEU A 33 2.062 3.270 3.370 1.00 0.00 C ATOM 465 CG LEU A 33 1.227 2.888 2.148 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.215 4.022 1.134 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.760 1.611 1.516 1.00 0.00 C ATOM 0 H LEU A 33 3.101 3.898 5.519 1.00 0.00 H new ATOM 0 HA LEU A 33 1.493 5.299 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.032 3.627 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.244 2.370 3.957 1.00 0.00 H new ATOM 0 HG LEU A 33 0.202 2.708 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.616 3.732 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.786 4.914 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.235 4.234 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.153 1.354 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.793 1.763 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.716 0.800 2.242 1.00 0.00 H new ATOM 479 N ILE A 34 -0.234 2.779 5.072 1.00 0.00 N ATOM 480 CA ILE A 34 -1.582 2.335 5.400 1.00 0.00 C ATOM 481 C ILE A 34 -2.432 3.491 5.916 1.00 0.00 C ATOM 482 O ILE A 34 -3.376 3.925 5.254 1.00 0.00 O ATOM 483 CB ILE A 34 -1.565 1.215 6.457 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.837 -0.017 5.914 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.983 0.857 6.873 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.279 -0.914 6.997 1.00 0.00 C ATOM 0 H ILE A 34 0.493 2.085 5.246 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.019 1.948 4.479 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.029 1.574 7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.525 -0.593 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.022 0.308 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.954 0.064 7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.471 1.736 7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.542 0.514 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.223 -1.767 6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.434 -0.354 7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.092 -1.269 7.631 1.00 0.00 H new ATOM 498 N SER A 35 -2.090 3.989 7.099 1.00 0.00 N ATOM 499 CA SER A 35 -2.823 5.094 7.706 1.00 0.00 C ATOM 500 C SER A 35 -3.135 6.170 6.671 1.00 0.00 C ATOM 501 O SER A 35 -4.264 6.654 6.581 1.00 0.00 O ATOM 502 CB SER A 35 -2.017 5.697 8.857 1.00 0.00 C ATOM 503 OG SER A 35 -2.727 6.756 9.477 1.00 0.00 O ATOM 0 H SER A 35 -1.309 3.645 7.657 1.00 0.00 H new ATOM 0 HA SER A 35 -3.763 4.704 8.096 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.794 4.924 9.593 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.062 6.065 8.483 1.00 0.00 H new ATOM 0 HG SER A 35 -2.191 7.124 10.211 1.00 0.00 H new ATOM 509 N LYS A 36 -2.126 6.541 5.889 1.00 0.00 N ATOM 510 CA LYS A 36 -2.291 7.560 4.858 1.00 0.00 C ATOM 511 C LYS A 36 -3.330 7.128 3.828 1.00 0.00 C ATOM 512 O LYS A 36 -4.268 7.867 3.529 1.00 0.00 O ATOM 513 CB LYS A 36 -0.954 7.834 4.166 1.00 0.00 C ATOM 514 CG LYS A 36 0.096 8.429 5.087 1.00 0.00 C ATOM 515 CD LYS A 36 1.468 8.447 4.432 1.00 0.00 C ATOM 516 CE LYS A 36 1.704 9.741 3.668 1.00 0.00 C ATOM 517 NZ LYS A 36 1.755 10.919 4.578 1.00 0.00 N ATOM 0 H LYS A 36 -1.185 6.151 5.950 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.639 8.475 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.573 6.902 3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.120 8.514 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.191 9.445 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.140 7.852 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.238 8.328 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.559 7.600 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.639 9.670 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.909 9.881 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.340 11.664 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.792 11.281 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.168 10.636 5.489 1.00 0.00 H new ATOM 531 N THR A 37 -3.158 5.925 3.288 1.00 0.00 N ATOM 532 CA THR A 37 -4.080 5.394 2.292 1.00 0.00 C ATOM 533 C THR A 37 -5.519 5.778 2.616 1.00 0.00 C ATOM 534 O THR A 37 -6.211 6.380 1.794 1.00 0.00 O ATOM 535 CB THR A 37 -3.979 3.860 2.193 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.609 3.468 2.050 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.787 3.340 1.013 1.00 0.00 C ATOM 0 H THR A 37 -2.388 5.300 3.524 1.00 0.00 H new ATOM 0 HA THR A 37 -3.797 5.831 1.334 1.00 0.00 H new ATOM 0 HB THR A 37 -4.386 3.431 3.109 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.553 2.491 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.701 2.255 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.834 3.615 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.406 3.777 0.090 1.00 0.00 H new ATOM 545 N LEU A 38 -5.963 5.428 3.818 1.00 0.00 N ATOM 546 CA LEU A 38 -7.321 5.736 4.251 1.00 0.00 C ATOM 547 C LEU A 38 -7.693 7.173 3.896 1.00 0.00 C ATOM 548 O LEU A 38 -8.680 7.416 3.202 1.00 0.00 O ATOM 549 CB LEU A 38 -7.458 5.520 5.759 1.00 0.00 C ATOM 550 CG LEU A 38 -7.647 4.072 6.215 1.00 0.00 C ATOM 551 CD1 LEU A 38 -7.055 3.867 7.601 1.00 0.00 C ATOM 552 CD2 LEU A 38 -9.121 3.696 6.201 1.00 0.00 C ATOM 0 H LEU A 38 -5.402 4.931 4.510 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.003 5.064 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.568 5.920 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.306 6.105 6.114 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.120 3.420 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.199 2.831 7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.989 4.094 7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.552 4.529 8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.236 2.663 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.671 4.353 6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.514 3.802 5.190 1.00 0.00 H new ATOM 564 N ASP A 39 -6.895 8.120 4.376 1.00 0.00 N ATOM 565 CA ASP A 39 -7.139 9.533 4.108 1.00 0.00 C ATOM 566 C ASP A 39 -7.231 9.793 2.608 1.00 0.00 C ATOM 567 O ASP A 39 -8.113 10.516 2.146 1.00 0.00 O ATOM 568 CB ASP A 39 -6.027 10.389 4.718 1.00 0.00 C ATOM 569 CG ASP A 39 -6.495 11.792 5.052 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.355 11.934 5.945 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.997 12.748 4.421 1.00 0.00 O ATOM 0 H ASP A 39 -6.074 7.935 4.952 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.090 9.805 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.656 9.907 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.191 10.444 4.021 1.00 0.00 H new ATOM 576 N ALA A 40 -6.313 9.198 1.852 1.00 0.00 N ATOM 577 CA ALA A 40 -6.291 9.365 0.404 1.00 0.00 C ATOM 578 C ALA A 40 -7.600 8.896 -0.222 1.00 0.00 C ATOM 579 O ALA A 40 -8.199 9.601 -1.035 1.00 0.00 O ATOM 580 CB ALA A 40 -5.116 8.607 -0.196 1.00 0.00 C ATOM 0 H ALA A 40 -5.575 8.596 2.219 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.174 10.427 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.111 8.740 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.185 8.990 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.209 7.547 0.039 1.00 0.00 H new ATOM 586 N LEU A 41 -8.038 7.701 0.160 1.00 0.00 N ATOM 587 CA LEU A 41 -9.277 7.137 -0.365 1.00 0.00 C ATOM 588 C LEU A 41 -10.482 7.644 0.421 1.00 0.00 C ATOM 589 O LEU A 41 -11.605 7.180 0.224 1.00 0.00 O ATOM 590 CB LEU A 41 -9.227 5.610 -0.314 1.00 0.00 C ATOM 591 CG LEU A 41 -8.526 4.921 -1.486 1.00 0.00 C ATOM 592 CD1 LEU A 41 -8.190 3.479 -1.136 1.00 0.00 C ATOM 593 CD2 LEU A 41 -9.395 4.979 -2.734 1.00 0.00 C ATOM 0 H LEU A 41 -7.554 7.104 0.831 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.382 7.457 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.726 5.314 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.249 5.235 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.595 5.450 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.692 3.006 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.530 3.459 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.107 2.937 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.881 4.484 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.342 4.475 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.585 6.020 -2.997 1.00 0.00 H new ATOM 605 N VAL A 42 -10.242 8.601 1.311 1.00 0.00 N ATOM 606 CA VAL A 42 -11.308 9.175 2.125 1.00 0.00 C ATOM 607 C VAL A 42 -12.311 8.107 2.546 1.00 0.00 C ATOM 608 O VAL A 42 -13.521 8.317 2.475 1.00 0.00 O ATOM 609 CB VAL A 42 -12.051 10.292 1.369 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.882 11.126 2.332 1.00 0.00 C ATOM 611 CG2 VAL A 42 -11.065 11.167 0.608 1.00 0.00 C ATOM 0 H VAL A 42 -9.318 8.996 1.487 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.837 9.598 3.012 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.726 9.832 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.400 11.910 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.613 10.488 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.229 11.578 3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.607 11.951 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.364 11.620 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.517 10.557 -0.110 1.00 0.00 H new ATOM 621 N ILE A 43 -11.799 6.963 2.989 1.00 0.00 N ATOM 622 CA ILE A 43 -12.650 5.864 3.425 1.00 0.00 C ATOM 623 C ILE A 43 -13.440 6.242 4.673 1.00 0.00 C ATOM 624 O ILE A 43 -12.867 6.646 5.684 1.00 0.00 O ATOM 625 CB ILE A 43 -11.827 4.595 3.716 1.00 0.00 C ATOM 626 CG1 ILE A 43 -11.065 4.156 2.464 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.732 3.478 4.211 1.00 0.00 C ATOM 628 CD1 ILE A 43 -10.046 3.069 2.726 1.00 0.00 C ATOM 0 H ILE A 43 -10.799 6.774 3.055 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.342 5.658 2.608 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.102 4.822 4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.779 3.802 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.559 5.021 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.135 2.588 4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.232 3.794 5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.478 3.250 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.545 2.808 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.310 3.426 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.548 2.188 3.127 1.00 0.00 H new ATOM 640 N ALA A 44 -14.760 6.106 4.594 1.00 0.00 N ATOM 641 CA ALA A 44 -15.629 6.430 5.718 1.00 0.00 C ATOM 642 C ALA A 44 -15.147 5.754 6.997 1.00 0.00 C ATOM 643 O ALA A 44 -14.967 6.405 8.027 1.00 0.00 O ATOM 644 CB ALA A 44 -17.063 6.023 5.413 1.00 0.00 C ATOM 0 H ALA A 44 -15.250 5.774 3.764 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.594 7.509 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.700 6.271 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.412 6.556 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.105 4.949 5.229 1.00 0.00 H new ATOM 650 N THR A 45 -14.940 4.443 6.926 1.00 0.00 N ATOM 651 CA THR A 45 -14.481 3.677 8.078 1.00 0.00 C ATOM 652 C THR A 45 -12.960 3.574 8.099 1.00 0.00 C ATOM 653 O THR A 45 -12.292 3.896 7.117 1.00 0.00 O ATOM 654 CB THR A 45 -15.080 2.258 8.085 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.797 1.613 9.333 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.517 1.428 6.940 1.00 0.00 C ATOM 0 H THR A 45 -15.083 3.889 6.082 1.00 0.00 H new ATOM 0 HA THR A 45 -14.819 4.210 8.967 1.00 0.00 H new ATOM 0 HB THR A 45 -16.159 2.342 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.183 0.712 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.954 0.430 6.965 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.758 1.906 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.435 1.353 7.043 1.00 0.00 H new ATOM 664 N GLY A 46 -12.417 3.124 9.226 1.00 0.00 N ATOM 665 CA GLY A 46 -10.978 2.988 9.355 1.00 0.00 C ATOM 666 C GLY A 46 -10.519 1.548 9.231 1.00 0.00 C ATOM 667 O GLY A 46 -9.471 1.270 8.647 1.00 0.00 O ATOM 0 H GLY A 46 -12.949 2.851 10.053 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.489 3.589 8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.664 3.385 10.320 1.00 0.00 H new ATOM 671 N LEU A 47 -11.305 0.629 9.782 1.00 0.00 N ATOM 672 CA LEU A 47 -10.972 -0.791 9.732 1.00 0.00 C ATOM 673 C LEU A 47 -10.737 -1.245 8.295 1.00 0.00 C ATOM 674 O LEU A 47 -11.682 -1.424 7.527 1.00 0.00 O ATOM 675 CB LEU A 47 -12.093 -1.619 10.364 1.00 0.00 C ATOM 676 CG LEU A 47 -11.691 -2.992 10.903 1.00 0.00 C ATOM 677 CD1 LEU A 47 -11.055 -3.831 9.806 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.740 -2.844 12.082 1.00 0.00 C ATOM 0 H LEU A 47 -12.176 0.841 10.268 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.052 -0.944 10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.527 -1.043 11.181 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.878 -1.758 9.621 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.590 -3.503 11.248 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.775 -4.805 10.208 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.767 -3.966 8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.166 -3.325 9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.464 -3.831 12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.843 -2.313 11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.230 -2.282 12.877 1.00 0.00 H new ATOM 690 N VAL A 48 -9.469 -1.431 7.939 1.00 0.00 N ATOM 691 CA VAL A 48 -9.109 -1.868 6.596 1.00 0.00 C ATOM 692 C VAL A 48 -7.863 -2.746 6.620 1.00 0.00 C ATOM 693 O VAL A 48 -7.136 -2.785 7.613 1.00 0.00 O ATOM 694 CB VAL A 48 -8.860 -0.667 5.663 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.149 0.108 5.435 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.779 0.237 6.236 1.00 0.00 C ATOM 0 H VAL A 48 -8.675 -1.286 8.562 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.950 -2.447 6.215 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.515 -1.042 4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.954 0.952 4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.891 -0.547 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.527 0.474 6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.616 1.080 5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.093 0.606 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.852 -0.327 6.343 1.00 0.00 H new ATOM 706 N THR A 49 -7.621 -3.450 5.519 1.00 0.00 N ATOM 707 CA THR A 49 -6.464 -4.329 5.412 1.00 0.00 C ATOM 708 C THR A 49 -5.651 -4.019 4.160 1.00 0.00 C ATOM 709 O THR A 49 -6.208 -3.796 3.084 1.00 0.00 O ATOM 710 CB THR A 49 -6.884 -5.810 5.383 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.594 -6.142 6.581 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.668 -6.715 5.241 1.00 0.00 C ATOM 0 H THR A 49 -8.212 -3.428 4.688 1.00 0.00 H new ATOM 0 HA THR A 49 -5.850 -4.150 6.294 1.00 0.00 H new ATOM 0 HB THR A 49 -7.534 -5.963 4.522 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.859 -7.085 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.990 -7.756 5.223 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.146 -6.480 4.313 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.997 -6.557 6.085 1.00 0.00 H new ATOM 720 N LEU A 50 -4.331 -4.006 4.306 1.00 0.00 N ATOM 721 CA LEU A 50 -3.440 -3.723 3.186 1.00 0.00 C ATOM 722 C LEU A 50 -2.830 -5.008 2.638 1.00 0.00 C ATOM 723 O LEU A 50 -2.308 -5.831 3.391 1.00 0.00 O ATOM 724 CB LEU A 50 -2.330 -2.763 3.620 1.00 0.00 C ATOM 725 CG LEU A 50 -1.743 -1.875 2.523 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.725 -0.777 2.143 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.419 -1.276 2.972 1.00 0.00 C ATOM 0 H LEU A 50 -3.854 -4.188 5.189 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.028 -3.255 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.721 -2.121 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.521 -3.349 4.057 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.560 -2.492 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.290 -0.155 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.649 -1.226 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.940 -0.163 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.016 -0.647 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.577 -0.674 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.286 -2.077 3.193 1.00 0.00 H new ATOM 739 N VAL A 51 -2.895 -5.175 1.321 1.00 0.00 N ATOM 740 CA VAL A 51 -2.347 -6.358 0.671 1.00 0.00 C ATOM 741 C VAL A 51 -1.689 -6.001 -0.658 1.00 0.00 C ATOM 742 O VAL A 51 -1.742 -4.852 -1.100 1.00 0.00 O ATOM 743 CB VAL A 51 -3.436 -7.419 0.423 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.216 -7.692 1.700 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.367 -6.975 -0.695 1.00 0.00 C ATOM 0 H VAL A 51 -3.323 -4.504 0.683 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.597 -6.770 1.346 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.952 -8.346 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.981 -8.444 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.537 -8.056 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.690 -6.772 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.130 -7.736 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.845 -6.035 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.794 -6.835 -1.612 1.00 0.00 H new ATOM 755 N LEU A 52 -1.071 -6.992 -1.291 1.00 0.00 N ATOM 756 CA LEU A 52 -0.403 -6.783 -2.571 1.00 0.00 C ATOM 757 C LEU A 52 -1.405 -6.823 -3.721 1.00 0.00 C ATOM 758 O LEU A 52 -2.304 -7.663 -3.743 1.00 0.00 O ATOM 759 CB LEU A 52 0.678 -7.844 -2.784 1.00 0.00 C ATOM 760 CG LEU A 52 1.893 -7.758 -1.861 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.765 -8.996 -2.009 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.697 -6.499 -2.154 1.00 0.00 C ATOM 0 H LEU A 52 -1.019 -7.948 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 52 0.063 -5.798 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.223 -8.827 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.025 -7.779 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 52 1.540 -7.709 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.625 -8.917 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.186 -9.882 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.110 -9.077 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.558 -6.454 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.039 -6.518 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.070 -5.622 -1.996 1.00 0.00 H new ATOM 774 N GLU A 53 -1.242 -5.912 -4.674 1.00 0.00 N ATOM 775 CA GLU A 53 -2.130 -5.844 -5.828 1.00 0.00 C ATOM 776 C GLU A 53 -1.666 -6.794 -6.929 1.00 0.00 C ATOM 777 O GLU A 53 -2.086 -6.677 -8.080 1.00 0.00 O ATOM 778 CB GLU A 53 -2.196 -4.414 -6.367 1.00 0.00 C ATOM 779 CG GLU A 53 -3.525 -4.070 -7.020 1.00 0.00 C ATOM 780 CD GLU A 53 -3.580 -2.636 -7.509 1.00 0.00 C ATOM 781 OE1 GLU A 53 -3.312 -1.722 -6.699 1.00 0.00 O ATOM 782 OE2 GLU A 53 -3.891 -2.426 -8.700 1.00 0.00 O ATOM 0 H GLU A 53 -0.502 -5.210 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.126 -6.148 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.012 -3.718 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.396 -4.271 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.698 -4.743 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.331 -4.238 -6.306 1.00 0.00 H new ATOM 789 N GLU A 54 -0.799 -7.734 -6.565 1.00 0.00 N ATOM 790 CA GLU A 54 -0.277 -8.703 -7.522 1.00 0.00 C ATOM 791 C GLU A 54 -0.676 -10.123 -7.130 1.00 0.00 C ATOM 792 O GLU A 54 -1.082 -10.920 -7.977 1.00 0.00 O ATOM 793 CB GLU A 54 1.247 -8.595 -7.610 1.00 0.00 C ATOM 794 CG GLU A 54 1.945 -8.728 -6.267 1.00 0.00 C ATOM 795 CD GLU A 54 3.451 -8.837 -6.402 1.00 0.00 C ATOM 796 OE1 GLU A 54 4.113 -7.784 -6.525 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.969 -9.973 -6.384 1.00 0.00 O ATOM 0 H GLU A 54 -0.444 -7.845 -5.615 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.707 -8.480 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.619 -9.368 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.510 -7.634 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.701 -7.865 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.565 -9.609 -5.750 1.00 0.00 H new ATOM 804 N ASP A 55 -0.556 -10.431 -5.844 1.00 0.00 N ATOM 805 CA ASP A 55 -0.905 -11.755 -5.340 1.00 0.00 C ATOM 806 C ASP A 55 -1.926 -11.654 -4.212 1.00 0.00 C ATOM 807 O ASP A 55 -2.564 -12.642 -3.849 1.00 0.00 O ATOM 808 CB ASP A 55 0.348 -12.482 -4.847 1.00 0.00 C ATOM 809 CG ASP A 55 1.273 -12.875 -5.983 1.00 0.00 C ATOM 810 OD1 ASP A 55 0.816 -13.590 -6.899 1.00 0.00 O ATOM 811 OD2 ASP A 55 2.453 -12.469 -5.954 1.00 0.00 O ATOM 0 H ASP A 55 -0.220 -9.783 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.348 -12.324 -6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.886 -11.840 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.053 -13.375 -4.296 1.00 0.00 H new ATOM 816 N GLY A 56 -2.075 -10.453 -3.660 1.00 0.00 N ATOM 817 CA GLY A 56 -3.020 -10.247 -2.578 1.00 0.00 C ATOM 818 C GLY A 56 -2.466 -10.678 -1.234 1.00 0.00 C ATOM 819 O GLY A 56 -3.218 -11.045 -0.331 1.00 0.00 O ATOM 0 H GLY A 56 -1.559 -9.620 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.293 -9.193 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.933 -10.804 -2.787 1.00 0.00 H new ATOM 823 N THR A 57 -1.144 -10.634 -1.099 1.00 0.00 N ATOM 824 CA THR A 57 -0.488 -11.026 0.142 1.00 0.00 C ATOM 825 C THR A 57 -0.593 -9.924 1.190 1.00 0.00 C ATOM 826 O THR A 57 -0.196 -8.784 0.948 1.00 0.00 O ATOM 827 CB THR A 57 0.997 -11.361 -0.088 1.00 0.00 C ATOM 828 OG1 THR A 57 1.119 -12.396 -1.069 1.00 0.00 O ATOM 829 CG2 THR A 57 1.659 -11.803 1.208 1.00 0.00 C ATOM 0 H THR A 57 -0.506 -10.330 -1.835 1.00 0.00 H new ATOM 0 HA THR A 57 -1.001 -11.917 0.503 1.00 0.00 H new ATOM 0 HB THR A 57 1.499 -10.462 -0.445 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.066 -12.602 -1.211 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.708 -12.034 1.021 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.590 -11.002 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.154 -12.690 1.590 1.00 0.00 H new ATOM 837 N VAL A 58 -1.128 -10.271 2.356 1.00 0.00 N ATOM 838 CA VAL A 58 -1.283 -9.311 3.442 1.00 0.00 C ATOM 839 C VAL A 58 0.070 -8.780 3.903 1.00 0.00 C ATOM 840 O VAL A 58 0.913 -9.535 4.389 1.00 0.00 O ATOM 841 CB VAL A 58 -2.014 -9.937 4.645 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.087 -8.948 5.799 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.404 -10.400 4.241 1.00 0.00 C ATOM 0 H VAL A 58 -1.461 -11.210 2.573 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.880 -8.486 3.053 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.449 -10.807 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.607 -9.408 6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.078 -8.670 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.629 -8.057 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.906 -10.840 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.981 -9.548 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.324 -11.145 3.449 1.00 0.00 H new ATOM 853 N VAL A 59 0.272 -7.475 3.749 1.00 0.00 N ATOM 854 CA VAL A 59 1.522 -6.842 4.151 1.00 0.00 C ATOM 855 C VAL A 59 1.351 -6.064 5.451 1.00 0.00 C ATOM 856 O VAL A 59 0.973 -4.893 5.440 1.00 0.00 O ATOM 857 CB VAL A 59 2.044 -5.889 3.060 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.347 -5.237 3.498 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.227 -6.633 1.746 1.00 0.00 C ATOM 0 H VAL A 59 -0.415 -6.836 3.349 1.00 0.00 H new ATOM 0 HA VAL A 59 2.247 -7.641 4.302 1.00 0.00 H new ATOM 0 HB VAL A 59 1.306 -5.102 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.700 -4.567 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.180 -4.669 4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.096 -6.008 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.596 -5.944 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.945 -7.442 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.271 -7.047 1.426 1.00 0.00 H new ATOM 869 N ASP A 60 1.633 -6.723 6.569 1.00 0.00 N ATOM 870 CA ASP A 60 1.512 -6.093 7.879 1.00 0.00 C ATOM 871 C ASP A 60 2.854 -6.087 8.606 1.00 0.00 C ATOM 872 O ASP A 60 2.906 -6.069 9.835 1.00 0.00 O ATOM 873 CB ASP A 60 0.464 -6.818 8.724 1.00 0.00 C ATOM 874 CG ASP A 60 -0.226 -5.897 9.710 1.00 0.00 C ATOM 875 OD1 ASP A 60 -0.383 -4.700 9.392 1.00 0.00 O ATOM 876 OD2 ASP A 60 -0.605 -6.372 10.801 1.00 0.00 O ATOM 0 H ASP A 60 1.947 -7.693 6.595 1.00 0.00 H new ATOM 0 HA ASP A 60 1.195 -5.061 7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.282 -7.265 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.941 -7.634 9.267 1.00 0.00 H new ATOM 881 N THR A 61 3.938 -6.104 7.836 1.00 0.00 N ATOM 882 CA THR A 61 5.279 -6.104 8.406 1.00 0.00 C ATOM 883 C THR A 61 6.151 -5.035 7.757 1.00 0.00 C ATOM 884 O THR A 61 5.953 -4.681 6.595 1.00 0.00 O ATOM 885 CB THR A 61 5.960 -7.476 8.241 1.00 0.00 C ATOM 886 OG1 THR A 61 5.679 -8.009 6.942 1.00 0.00 O ATOM 887 CG2 THR A 61 5.482 -8.449 9.308 1.00 0.00 C ATOM 0 H THR A 61 3.913 -6.118 6.816 1.00 0.00 H new ATOM 0 HA THR A 61 5.171 -5.886 9.469 1.00 0.00 H new ATOM 0 HB THR A 61 7.036 -7.339 8.352 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.117 -8.880 6.844 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.976 -9.411 9.171 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.723 -8.054 10.295 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.403 -8.580 9.224 1.00 0.00 H new ATOM 895 N GLU A 62 7.118 -4.526 8.515 1.00 0.00 N ATOM 896 CA GLU A 62 8.020 -3.497 8.013 1.00 0.00 C ATOM 897 C GLU A 62 9.163 -4.119 7.215 1.00 0.00 C ATOM 898 O GLU A 62 9.641 -3.539 6.242 1.00 0.00 O ATOM 899 CB GLU A 62 8.582 -2.669 9.171 1.00 0.00 C ATOM 900 CG GLU A 62 9.483 -1.531 8.724 1.00 0.00 C ATOM 901 CD GLU A 62 10.317 -0.968 9.859 1.00 0.00 C ATOM 902 OE1 GLU A 62 10.669 -1.739 10.776 1.00 0.00 O ATOM 903 OE2 GLU A 62 10.616 0.245 9.831 1.00 0.00 O ATOM 0 H GLU A 62 7.296 -4.810 9.478 1.00 0.00 H new ATOM 0 HA GLU A 62 7.452 -2.843 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.754 -2.260 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.143 -3.325 9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.144 -1.885 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.873 -0.735 8.297 1.00 0.00 H new ATOM 910 N GLU A 63 9.597 -5.302 7.638 1.00 0.00 N ATOM 911 CA GLU A 63 10.685 -6.001 6.965 1.00 0.00 C ATOM 912 C GLU A 63 10.318 -6.312 5.517 1.00 0.00 C ATOM 913 O GLU A 63 11.151 -6.205 4.617 1.00 0.00 O ATOM 914 CB GLU A 63 11.025 -7.296 7.705 1.00 0.00 C ATOM 915 CG GLU A 63 9.916 -8.334 7.657 1.00 0.00 C ATOM 916 CD GLU A 63 10.189 -9.523 8.558 1.00 0.00 C ATOM 917 OE1 GLU A 63 10.016 -9.389 9.787 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.577 -10.587 8.033 1.00 0.00 O ATOM 0 H GLU A 63 9.212 -5.796 8.443 1.00 0.00 H new ATOM 0 HA GLU A 63 11.558 -5.349 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.930 -7.724 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.247 -7.062 8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.975 -7.869 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.793 -8.681 6.631 1.00 0.00 H new ATOM 925 N PHE A 64 9.065 -6.698 5.300 1.00 0.00 N ATOM 926 CA PHE A 64 8.587 -7.026 3.962 1.00 0.00 C ATOM 927 C PHE A 64 8.330 -5.761 3.150 1.00 0.00 C ATOM 928 O PHE A 64 8.519 -5.740 1.934 1.00 0.00 O ATOM 929 CB PHE A 64 7.307 -7.861 4.045 1.00 0.00 C ATOM 930 CG PHE A 64 6.861 -8.409 2.719 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.763 -9.035 1.875 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.540 -8.297 2.319 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.356 -9.540 0.654 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.126 -8.801 1.100 1.00 0.00 C ATOM 935 CZ PHE A 64 6.036 -9.422 0.266 1.00 0.00 C ATOM 0 H PHE A 64 8.362 -6.791 6.033 1.00 0.00 H new ATOM 0 HA PHE A 64 9.360 -7.607 3.460 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.467 -8.689 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.509 -7.247 4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.796 -9.130 2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.825 -7.811 2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.069 -10.026 0.005 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.093 -8.709 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.715 -9.814 -0.688 1.00 0.00 H new ATOM 945 N PHE A 65 7.896 -4.705 3.832 1.00 0.00 N ATOM 946 CA PHE A 65 7.611 -3.435 3.175 1.00 0.00 C ATOM 947 C PHE A 65 8.904 -2.725 2.779 1.00 0.00 C ATOM 948 O PHE A 65 8.977 -2.092 1.727 1.00 0.00 O ATOM 949 CB PHE A 65 6.784 -2.535 4.095 1.00 0.00 C ATOM 950 CG PHE A 65 6.851 -1.080 3.730 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.945 -0.311 4.092 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.820 -0.481 3.023 1.00 0.00 C ATOM 953 CE1 PHE A 65 8.009 1.029 3.758 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.879 0.857 2.685 1.00 0.00 C ATOM 955 CZ PHE A 65 6.975 1.613 3.052 1.00 0.00 C ATOM 0 H PHE A 65 7.734 -4.704 4.839 1.00 0.00 H new ATOM 0 HA PHE A 65 7.039 -3.643 2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.744 -2.860 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.131 -2.660 5.121 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.757 -0.764 4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.961 -1.067 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.866 1.618 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.069 1.312 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.024 2.659 2.788 1.00 0.00 H new ATOM 965 N GLN A 66 9.918 -2.838 3.630 1.00 0.00 N ATOM 966 CA GLN A 66 11.206 -2.207 3.370 1.00 0.00 C ATOM 967 C GLN A 66 11.870 -2.813 2.138 1.00 0.00 C ATOM 968 O GLN A 66 12.668 -2.160 1.464 1.00 0.00 O ATOM 969 CB GLN A 66 12.125 -2.355 4.584 1.00 0.00 C ATOM 970 CG GLN A 66 11.742 -1.459 5.750 1.00 0.00 C ATOM 971 CD GLN A 66 12.095 -0.004 5.509 1.00 0.00 C ATOM 972 OE1 GLN A 66 13.112 0.304 4.887 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.257 0.900 6.003 1.00 0.00 N ATOM 0 H GLN A 66 9.873 -3.360 4.505 1.00 0.00 H new ATOM 0 HA GLN A 66 11.032 -1.148 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.111 -3.393 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.148 -2.129 4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.671 -1.544 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.247 -1.807 6.651 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.426 0.600 6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.445 1.894 5.873 1.00 0.00 H new ATOM 982 N THR A 67 11.537 -4.066 1.848 1.00 0.00 N ATOM 983 CA THR A 67 12.101 -4.761 0.698 1.00 0.00 C ATOM 984 C THR A 67 11.412 -4.337 -0.594 1.00 0.00 C ATOM 985 O THR A 67 12.043 -4.260 -1.650 1.00 0.00 O ATOM 986 CB THR A 67 11.983 -6.289 0.851 1.00 0.00 C ATOM 987 OG1 THR A 67 10.608 -6.662 0.997 1.00 0.00 O ATOM 988 CG2 THR A 67 12.777 -6.775 2.055 1.00 0.00 C ATOM 0 H THR A 67 10.879 -4.621 2.394 1.00 0.00 H new ATOM 0 HA THR A 67 13.155 -4.488 0.651 1.00 0.00 H new ATOM 0 HB THR A 67 12.392 -6.755 -0.046 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.064 -5.859 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.679 -7.857 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.828 -6.515 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.394 -6.301 2.959 1.00 0.00 H new ATOM 996 N LEU A 68 10.116 -4.061 -0.504 1.00 0.00 N ATOM 997 CA LEU A 68 9.340 -3.644 -1.667 1.00 0.00 C ATOM 998 C LEU A 68 10.055 -2.532 -2.427 1.00 0.00 C ATOM 999 O LEU A 68 10.662 -1.646 -1.827 1.00 0.00 O ATOM 1000 CB LEU A 68 7.952 -3.170 -1.234 1.00 0.00 C ATOM 1001 CG LEU A 68 7.097 -4.192 -0.484 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.710 -3.632 -0.212 1.00 0.00 C ATOM 1003 CD2 LEU A 68 7.006 -5.492 -1.271 1.00 0.00 C ATOM 0 H LEU A 68 9.580 -4.118 0.362 1.00 0.00 H new ATOM 0 HA LEU A 68 9.234 -4.503 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.072 -2.291 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.406 -2.851 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 68 7.574 -4.403 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.116 -4.374 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.794 -2.730 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.223 -3.390 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.394 -6.208 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.553 -5.298 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.006 -5.903 -1.412 1.00 0.00 H new ATOM 1015 N GLY A 69 9.978 -2.584 -3.754 1.00 0.00 N ATOM 1016 CA GLY A 69 10.620 -1.574 -4.575 1.00 0.00 C ATOM 1017 C GLY A 69 9.795 -0.308 -4.688 1.00 0.00 C ATOM 1018 O GLY A 69 8.888 -0.076 -3.889 1.00 0.00 O ATOM 0 H GLY A 69 9.482 -3.308 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.595 -1.332 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.797 -1.979 -5.571 1.00 0.00 H new ATOM 1022 N ASP A 70 10.110 0.514 -5.682 1.00 0.00 N ATOM 1023 CA ASP A 70 9.391 1.765 -5.898 1.00 0.00 C ATOM 1024 C ASP A 70 8.165 1.543 -6.776 1.00 0.00 C ATOM 1025 O ASP A 70 8.120 0.604 -7.569 1.00 0.00 O ATOM 1026 CB ASP A 70 10.313 2.804 -6.539 1.00 0.00 C ATOM 1027 CG ASP A 70 11.718 2.763 -5.970 1.00 0.00 C ATOM 1028 OD1 ASP A 70 11.853 2.609 -4.738 1.00 0.00 O ATOM 1029 OD2 ASP A 70 12.680 2.885 -6.756 1.00 0.00 O ATOM 0 H ASP A 70 10.859 0.337 -6.352 1.00 0.00 H new ATOM 0 HA ASP A 70 9.058 2.136 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.355 2.633 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.893 3.799 -6.390 1.00 0.00 H new ATOM 1034 N ASN A 71 7.173 2.414 -6.629 1.00 0.00 N ATOM 1035 CA ASN A 71 5.944 2.312 -7.409 1.00 0.00 C ATOM 1036 C ASN A 71 5.275 0.958 -7.195 1.00 0.00 C ATOM 1037 O ASN A 71 4.746 0.358 -8.131 1.00 0.00 O ATOM 1038 CB ASN A 71 6.240 2.517 -8.895 1.00 0.00 C ATOM 1039 CG ASN A 71 7.305 3.570 -9.133 1.00 0.00 C ATOM 1040 OD1 ASN A 71 8.301 3.322 -9.812 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.099 4.756 -8.571 1.00 0.00 N ATOM 0 H ASN A 71 7.195 3.198 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 71 5.262 3.092 -7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.563 1.572 -9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.324 2.809 -9.408 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.781 5.504 -8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.259 4.918 -8.016 1.00 0.00 H new ATOM 1048 N THR A 72 5.301 0.481 -5.954 1.00 0.00 N ATOM 1049 CA THR A 72 4.698 -0.803 -5.616 1.00 0.00 C ATOM 1050 C THR A 72 3.183 -0.683 -5.493 1.00 0.00 C ATOM 1051 O THR A 72 2.676 0.112 -4.700 1.00 0.00 O ATOM 1052 CB THR A 72 5.267 -1.360 -4.297 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.692 -1.470 -4.385 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.667 -2.722 -3.981 1.00 0.00 C ATOM 0 H THR A 72 5.733 0.964 -5.167 1.00 0.00 H new ATOM 0 HA THR A 72 4.940 -1.490 -6.427 1.00 0.00 H new ATOM 0 HB THR A 72 5.005 -0.670 -3.495 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.104 -0.635 -4.080 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.084 -3.095 -3.045 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.585 -2.630 -3.885 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.902 -3.419 -4.786 1.00 0.00 H new ATOM 1062 N HIS A 73 2.466 -1.478 -6.280 1.00 0.00 N ATOM 1063 CA HIS A 73 1.007 -1.462 -6.258 1.00 0.00 C ATOM 1064 C HIS A 73 0.475 -2.194 -5.030 1.00 0.00 C ATOM 1065 O HIS A 73 0.985 -3.249 -4.653 1.00 0.00 O ATOM 1066 CB HIS A 73 0.450 -2.103 -7.529 1.00 0.00 C ATOM 1067 CG HIS A 73 0.330 -1.149 -8.678 1.00 0.00 C ATOM 1068 ND1 HIS A 73 1.192 -1.153 -9.753 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.560 -0.157 -8.915 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.839 -0.205 -10.602 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.222 0.415 -10.117 1.00 0.00 N ATOM 0 H HIS A 73 2.871 -2.141 -6.941 1.00 0.00 H new ATOM 0 HA HIS A 73 0.680 -0.423 -6.211 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.095 -2.931 -7.821 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.532 -2.524 -7.313 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.980 -1.789 -9.874 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.383 0.131 -8.277 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.334 0.024 -11.534 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.553 -1.626 -4.409 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.155 -2.223 -3.222 1.00 0.00 C ATOM 1082 C PHE A 74 -2.674 -2.275 -3.349 1.00 0.00 C ATOM 1083 O PHE A 74 -3.258 -1.612 -4.206 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.762 -1.432 -1.972 1.00 0.00 C ATOM 1085 CG PHE A 74 0.709 -1.477 -1.671 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.332 -2.679 -1.376 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.467 -0.317 -1.684 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.685 -2.722 -1.098 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.821 -0.355 -1.407 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.432 -1.560 -1.115 1.00 0.00 C ATOM 0 H PHE A 74 -0.987 -0.753 -4.708 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.782 -3.243 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.067 -0.393 -2.098 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.312 -1.824 -1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.754 -3.591 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.995 0.627 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.159 -3.665 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.401 0.556 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.490 -1.593 -0.901 1.00 0.00 H new ATOM 1100 N MET A 75 -3.308 -3.066 -2.489 1.00 0.00 N ATOM 1101 CA MET A 75 -4.759 -3.203 -2.505 1.00 0.00 C ATOM 1102 C MET A 75 -5.332 -3.073 -1.096 1.00 0.00 C ATOM 1103 O MET A 75 -4.860 -3.721 -0.162 1.00 0.00 O ATOM 1104 CB MET A 75 -5.159 -4.551 -3.108 1.00 0.00 C ATOM 1105 CG MET A 75 -6.620 -4.907 -2.886 1.00 0.00 C ATOM 1106 SD MET A 75 -7.122 -6.380 -3.797 1.00 0.00 S ATOM 1107 CE MET A 75 -7.771 -5.647 -5.296 1.00 0.00 C ATOM 0 H MET A 75 -2.840 -3.621 -1.773 1.00 0.00 H new ATOM 0 HA MET A 75 -5.168 -2.402 -3.121 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.956 -4.535 -4.179 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.534 -5.333 -2.677 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.794 -5.066 -1.822 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.245 -4.067 -3.189 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.837 -5.861 -5.374 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.619 -4.568 -5.269 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.253 -6.065 -6.159 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.352 -2.233 -0.953 1.00 0.00 N ATOM 1118 CA ILE A 76 -6.988 -2.019 0.340 1.00 0.00 C ATOM 1119 C ILE A 76 -8.328 -2.743 0.419 1.00 0.00 C ATOM 1120 O ILE A 76 -9.117 -2.717 -0.526 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.210 -0.520 0.618 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.611 -0.304 2.079 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.271 0.041 -0.318 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.434 -0.090 3.004 1.00 0.00 C ATOM 0 H ILE A 76 -6.755 -1.690 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.313 -2.423 1.094 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.276 0.011 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.273 0.559 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.180 -1.168 2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.417 1.101 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.948 -0.084 -1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.210 -0.491 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.794 0.056 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.782 -0.963 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.877 0.791 2.686 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.580 -3.387 1.553 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.827 -4.117 1.758 1.00 0.00 C ATOM 1138 C LEU A 77 -10.508 -3.679 3.051 1.00 0.00 C ATOM 1139 O LEU A 77 -9.891 -3.671 4.115 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.559 -5.623 1.793 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.728 -6.183 0.638 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.468 -7.669 0.840 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.426 -5.937 -0.690 1.00 0.00 C ATOM 0 H LEU A 77 -7.938 -3.419 2.345 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.493 -3.892 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.051 -5.860 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.517 -6.142 1.810 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.769 -5.666 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.875 -8.051 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.924 -7.820 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.418 -8.202 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.820 -6.342 -1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.400 -6.427 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.559 -4.865 -0.838 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.784 -3.321 2.949 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.548 -2.884 4.111 1.00 0.00 C ATOM 1157 C GLU A 78 -12.958 -4.076 4.972 1.00 0.00 C ATOM 1158 O GLU A 78 -12.713 -5.228 4.615 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.792 -2.108 3.670 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.478 -0.886 2.825 1.00 0.00 C ATOM 1161 CD GLU A 78 -14.580 -0.563 1.834 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -15.729 -0.996 2.064 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -14.293 0.121 0.830 1.00 0.00 O ATOM 0 H GLU A 78 -12.310 -3.325 2.075 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.912 -2.229 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.443 -2.774 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.347 -1.795 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.319 -0.028 3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.546 -1.052 2.285 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.582 -3.790 6.109 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.028 -4.836 7.023 1.00 0.00 C ATOM 1172 C LYS A 79 -15.053 -5.744 6.352 1.00 0.00 C ATOM 1173 O LYS A 79 -16.260 -5.549 6.499 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.628 -4.216 8.286 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.176 -5.240 9.265 1.00 0.00 C ATOM 1176 CD LYS A 79 -15.997 -4.582 10.361 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.125 -4.158 11.533 1.00 0.00 C ATOM 1178 NZ LYS A 79 -15.919 -3.976 12.779 1.00 0.00 N ATOM 0 H LYS A 79 -13.791 -2.841 6.421 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.162 -5.438 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.865 -3.620 8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.429 -3.534 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.794 -5.961 8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.351 -5.796 9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.514 -3.711 9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.764 -5.275 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.353 -4.909 11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.616 -3.226 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.288 -3.687 13.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.640 -3.242 12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.385 -4.872 13.028 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.566 -6.738 5.615 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.454 -7.661 4.935 1.00 0.00 C ATOM 1194 C GLY A 80 -15.188 -7.728 3.443 1.00 0.00 C ATOM 1195 O GLY A 80 -16.121 -7.751 2.641 1.00 0.00 O ATOM 0 H GLY A 80 -13.572 -6.920 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.339 -8.655 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.487 -7.357 5.104 1.00 0.00 H new ATOM 1199 N GLN A 81 -13.912 -7.759 3.072 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.527 -7.822 1.667 1.00 0.00 C ATOM 1201 C GLN A 81 -12.214 -8.580 1.496 1.00 0.00 C ATOM 1202 O GLN A 81 -11.360 -8.573 2.382 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.393 -6.412 1.090 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.714 -5.665 0.997 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.745 -4.674 -0.149 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -13.802 -3.739 -0.149 1.00 0.00 O flip ATOM 1207 NE2 GLN A 81 -15.607 -4.747 -1.026 1.00 0.00 N flip ATOM 0 H GLN A 81 -13.128 -7.742 3.724 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.308 -8.356 1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.704 -5.839 1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.950 -6.476 0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.525 -6.383 0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.895 -5.137 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.313 -5.482 -0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.615 -4.073 -1.791 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.061 -9.235 0.350 1.00 0.00 N ATOM 1217 CA LYS A 82 -10.853 -9.998 0.060 1.00 0.00 C ATOM 1218 C LYS A 82 -10.171 -9.480 -1.202 1.00 0.00 C ATOM 1219 O LYS A 82 -10.765 -8.729 -1.975 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.189 -11.483 -0.101 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.284 -11.751 -1.120 1.00 0.00 C ATOM 1222 CD LYS A 82 -13.659 -11.740 -0.475 1.00 0.00 C ATOM 1223 CE LYS A 82 -14.742 -12.143 -1.465 1.00 0.00 C ATOM 1224 NZ LYS A 82 -16.102 -11.792 -0.973 1.00 0.00 N ATOM 0 H LYS A 82 -12.759 -9.253 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.167 -9.876 0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.288 -12.021 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.496 -11.884 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.244 -10.997 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.112 -12.717 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.669 -12.423 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.872 -10.744 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.563 -11.649 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.687 -13.216 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.811 -12.083 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.284 -12.283 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.163 -10.764 -0.824 1.00 0.00 H new ATOM 1238 N TRP A 83 -8.924 -9.888 -1.405 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.162 -9.465 -2.574 1.00 0.00 C ATOM 1240 C TRP A 83 -8.619 -10.215 -3.821 1.00 0.00 C ATOM 1241 O TRP A 83 -9.092 -11.349 -3.736 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.667 -9.695 -2.346 1.00 0.00 C ATOM 1243 CG TRP A 83 -5.864 -9.676 -3.611 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.064 -8.663 -4.059 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.783 -10.717 -4.590 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.492 -9.013 -5.259 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.916 -10.267 -5.605 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.357 -11.986 -4.708 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.611 -11.043 -6.721 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -6.055 -12.754 -5.816 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.188 -12.281 -6.810 1.00 0.00 C ATOM 0 H TRP A 83 -8.419 -10.511 -0.775 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.339 -8.400 -2.726 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.287 -8.928 -1.671 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.526 -10.655 -1.849 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.905 -7.726 -3.546 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -3.855 -8.432 -5.803 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.025 -12.360 -3.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.943 -10.681 -7.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.494 -13.735 -5.918 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.971 -12.906 -7.664 1.00 0.00 H new