USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 840 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 Single : A 8 ASN : amide:sc= 0.0748 X(o=0.075,f=0) USER MOD Single : A 13 THR OG1 : rot 171:sc= -0.175 USER MOD Single : A 16 ASN : amide:sc= -4.88! C(o=-4.9!,f=-13!) USER MOD Single : A 26 MET CE :methyl 155:sc= -0.036 (180deg=-0.259) USER MOD Single : A 30 TYR OH : rot -130:sc= 1.26 USER MOD Single : A 34 CYS SG : rot 48:sc= -0.256 USER MOD Single : A 37 CYS SG : rot -156:sc= -0.718 USER MOD Single : A 38 GLN : amide:sc= -0.0211 K(o=-0.021,f=-0.8) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= -1.57! K(o=-1.6!,f=-1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.1 K(o=1.1,f=-0.0076) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0383) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -4.34! C(o=-4.3!,f=-7.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.25) USER MOD Single : A 80 THR OG1 : rot 98:sc= 1.16 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=-0.0042) USER MOD Single : A 84 CYS SG : rot 100:sc= 0.859 USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.012) USER MOD Single : A 92 TYR OH : rot 84:sc= 0.491 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 97 THR OG1 : rot 138:sc= -0.974 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.44) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 -8.857 -6.732 -0.343 1.00 0.00 N ATOM 67 CA ASN A 8 -7.449 -6.639 -0.714 1.00 0.00 C ATOM 68 C ASN A 8 -6.793 -5.429 -0.057 1.00 0.00 C ATOM 69 O ASN A 8 -5.705 -5.530 0.511 1.00 0.00 O ATOM 70 CB ASN A 8 -7.306 -6.549 -2.234 1.00 0.00 C ATOM 71 CG ASN A 8 -7.696 -7.840 -2.929 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.741 -7.919 -3.575 1.00 0.00 O ATOM 73 ND2 ASN A 8 -6.855 -8.859 -2.798 1.00 0.00 N ATOM 0 HA ASN A 8 -6.945 -7.539 -0.361 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.929 -5.736 -2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.275 -6.302 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.064 -9.753 -3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.000 -8.748 -2.253 1.00 0.00 H new ATOM 80 N VAL A 9 -7.462 -4.283 -0.138 1.00 0.00 N ATOM 81 CA VAL A 9 -6.945 -3.053 0.449 1.00 0.00 C ATOM 82 C VAL A 9 -7.793 -2.611 1.636 1.00 0.00 C ATOM 83 O VAL A 9 -9.015 -2.497 1.531 1.00 0.00 O ATOM 84 CB VAL A 9 -6.898 -1.913 -0.586 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.378 -0.633 0.052 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.040 -2.311 -1.778 1.00 0.00 C ATOM 0 H VAL A 9 -8.363 -4.181 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.932 -3.267 0.789 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.911 -1.727 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.352 0.161 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.036 -0.341 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.373 -0.801 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.018 -1.494 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.026 -2.525 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.461 -3.199 -2.249 1.00 0.00 H new ATOM 96 N ARG A 10 -7.138 -2.364 2.766 1.00 0.00 N ATOM 97 CA ARG A 10 -7.833 -1.936 3.974 1.00 0.00 C ATOM 98 C ARG A 10 -7.763 -0.420 4.133 1.00 0.00 C ATOM 99 O ARG A 10 -6.814 0.219 3.679 1.00 0.00 O ATOM 100 CB ARG A 10 -7.228 -2.617 5.204 1.00 0.00 C ATOM 101 CG ARG A 10 -7.826 -3.983 5.499 1.00 0.00 C ATOM 102 CD ARG A 10 -9.074 -3.871 6.360 1.00 0.00 C ATOM 103 NE ARG A 10 -9.959 -5.021 6.194 1.00 0.00 N ATOM 104 CZ ARG A 10 -10.869 -5.384 7.091 1.00 0.00 C ATOM 105 NH1 ARG A 10 -11.012 -4.691 8.212 1.00 0.00 N ATOM 106 NH2 ARG A 10 -11.637 -6.442 6.868 1.00 0.00 N ATOM 0 H ARG A 10 -6.127 -2.453 2.870 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.880 -2.227 3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.153 -2.724 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.369 -1.973 6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.073 -4.483 4.563 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.087 -4.603 6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.785 -3.784 7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.612 -2.959 6.101 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.874 -5.576 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.423 -3.877 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.711 -4.972 8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.529 -6.978 6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.335 -6.720 7.558 1.00 0.00 H new ATOM 120 N VAL A 11 -8.774 0.149 4.781 1.00 0.00 N ATOM 121 CA VAL A 11 -8.828 1.589 5.000 1.00 0.00 C ATOM 122 C VAL A 11 -8.519 1.936 6.453 1.00 0.00 C ATOM 123 O VAL A 11 -9.371 1.790 7.330 1.00 0.00 O ATOM 124 CB VAL A 11 -10.208 2.163 4.629 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.288 3.639 4.989 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.492 1.951 3.150 1.00 0.00 C ATOM 0 H VAL A 11 -9.567 -0.366 5.164 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.072 2.035 4.354 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.969 1.633 5.202 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.270 4.027 4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.131 3.761 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.519 4.188 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.471 2.362 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.728 2.454 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.481 0.884 2.927 1.00 0.00 H new ATOM 136 N ILE A 12 -7.298 2.396 6.699 1.00 0.00 N ATOM 137 CA ILE A 12 -6.878 2.764 8.045 1.00 0.00 C ATOM 138 C ILE A 12 -7.383 4.154 8.417 1.00 0.00 C ATOM 139 O ILE A 12 -7.364 5.074 7.598 1.00 0.00 O ATOM 140 CB ILE A 12 -5.344 2.733 8.185 1.00 0.00 C ATOM 141 CG1 ILE A 12 -4.819 1.313 7.964 1.00 0.00 C ATOM 142 CG2 ILE A 12 -4.927 3.251 9.553 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.450 0.286 8.877 1.00 0.00 C ATOM 0 H ILE A 12 -6.582 2.523 5.984 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.311 2.029 8.723 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.911 3.383 7.425 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.999 1.025 6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.739 1.306 8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.841 3.223 9.637 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.274 4.277 9.675 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.367 2.625 10.329 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.030 -0.697 8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.248 0.550 9.915 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.527 0.264 8.711 1.00 0.00 H new ATOM 155 N THR A 13 -7.833 4.302 9.659 1.00 0.00 N ATOM 156 CA THR A 13 -8.342 5.579 10.141 1.00 0.00 C ATOM 157 C THR A 13 -7.632 6.008 11.420 1.00 0.00 C ATOM 158 O THR A 13 -6.698 5.346 11.874 1.00 0.00 O ATOM 159 CB THR A 13 -9.858 5.515 10.407 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.171 4.355 11.186 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.636 5.479 9.100 1.00 0.00 C ATOM 0 H THR A 13 -7.855 3.552 10.350 1.00 0.00 H new ATOM 0 HA THR A 13 -8.148 6.312 9.358 1.00 0.00 H new ATOM 0 HB THR A 13 -10.145 6.410 10.958 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.107 4.397 11.473 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.704 5.434 9.313 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.419 6.378 8.522 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.343 4.600 8.526 1.00 0.00 H new ATOM 169 N ASP A 14 -8.079 7.118 11.996 1.00 0.00 N ATOM 170 CA ASP A 14 -7.487 7.634 13.225 1.00 0.00 C ATOM 171 C ASP A 14 -7.773 6.703 14.399 1.00 0.00 C ATOM 172 O ASP A 14 -7.313 6.939 15.516 1.00 0.00 O ATOM 173 CB ASP A 14 -8.023 9.034 13.526 1.00 0.00 C ATOM 174 CG ASP A 14 -9.510 9.034 13.821 1.00 0.00 C ATOM 175 OD1 ASP A 14 -10.266 8.397 13.058 1.00 0.00 O ATOM 176 OD2 ASP A 14 -9.918 9.671 14.814 1.00 0.00 O ATOM 0 H ASP A 14 -8.850 7.678 11.632 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.408 7.689 13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.486 9.450 14.379 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.824 9.686 12.676 1.00 0.00 H new ATOM 181 N GLU A 15 -8.536 5.646 14.138 1.00 0.00 N ATOM 182 CA GLU A 15 -8.885 4.682 15.174 1.00 0.00 C ATOM 183 C GLU A 15 -8.331 3.299 14.839 1.00 0.00 C ATOM 184 O GLU A 15 -7.894 2.563 15.723 1.00 0.00 O ATOM 185 CB GLU A 15 -10.404 4.608 15.343 1.00 0.00 C ATOM 186 CG GLU A 15 -11.075 3.629 14.394 1.00 0.00 C ATOM 187 CD GLU A 15 -12.515 3.998 14.099 1.00 0.00 C ATOM 188 OE1 GLU A 15 -13.233 4.390 15.043 1.00 0.00 O ATOM 189 OE2 GLU A 15 -12.926 3.894 12.924 1.00 0.00 O ATOM 0 H GLU A 15 -8.924 5.436 13.218 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.439 5.016 16.111 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.633 4.321 16.369 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.827 5.600 15.187 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.515 3.592 13.460 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.041 2.629 14.826 1.00 0.00 H new ATOM 196 N ASN A 16 -8.355 2.954 13.556 1.00 0.00 N ATOM 197 CA ASN A 16 -7.857 1.660 13.103 1.00 0.00 C ATOM 198 C ASN A 16 -6.333 1.612 13.163 1.00 0.00 C ATOM 199 O ASN A 16 -5.736 0.536 13.173 1.00 0.00 O ATOM 200 CB ASN A 16 -8.331 1.379 11.676 1.00 0.00 C ATOM 201 CG ASN A 16 -8.503 -0.103 11.405 1.00 0.00 C ATOM 202 OD1 ASN A 16 -8.136 -0.942 12.228 1.00 0.00 O ATOM 203 ND2 ASN A 16 -9.063 -0.432 10.247 1.00 0.00 N ATOM 0 H ASN A 16 -8.714 3.552 12.812 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.254 0.893 13.768 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.279 1.889 11.504 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.612 1.794 10.969 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.204 -1.414 10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.352 0.297 9.595 1.00 0.00 H new ATOM 210 N TRP A 17 -5.711 2.785 13.204 1.00 0.00 N ATOM 211 CA TRP A 17 -4.257 2.877 13.264 1.00 0.00 C ATOM 212 C TRP A 17 -3.681 1.804 14.181 1.00 0.00 C ATOM 213 O TRP A 17 -2.800 1.042 13.783 1.00 0.00 O ATOM 214 CB TRP A 17 -3.833 4.264 13.751 1.00 0.00 C ATOM 215 CG TRP A 17 -3.856 4.402 15.243 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.811 5.027 15.993 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.880 3.906 16.165 1.00 0.00 C ATOM 218 NE1 TRP A 17 -4.487 4.949 17.326 1.00 0.00 N ATOM 219 CE2 TRP A 17 -3.307 4.266 17.458 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.687 3.192 16.025 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -2.582 3.936 18.600 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.969 2.865 17.159 1.00 0.00 C ATOM 223 CH2 TRP A 17 -1.418 3.236 18.433 1.00 0.00 C ATOM 0 H TRP A 17 -6.191 3.685 13.197 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.866 2.717 12.259 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.827 4.477 13.389 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.494 5.012 13.314 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.691 5.511 15.597 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.036 5.337 18.093 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.332 2.901 15.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.926 4.222 19.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -0.045 2.314 17.062 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.834 2.964 19.300 1.00 0.00 H new ATOM 234 N ARG A 18 -4.184 1.751 15.411 1.00 0.00 N ATOM 235 CA ARG A 18 -3.718 0.771 16.384 1.00 0.00 C ATOM 236 C ARG A 18 -3.513 -0.592 15.730 1.00 0.00 C ATOM 237 O ARG A 18 -2.435 -1.177 15.817 1.00 0.00 O ATOM 238 CB ARG A 18 -4.717 0.651 17.537 1.00 0.00 C ATOM 239 CG ARG A 18 -4.489 1.662 18.648 1.00 0.00 C ATOM 240 CD ARG A 18 -5.220 1.265 19.921 1.00 0.00 C ATOM 241 NE ARG A 18 -4.451 0.314 20.720 1.00 0.00 N ATOM 242 CZ ARG A 18 -4.573 -1.004 20.611 1.00 0.00 C ATOM 243 NH1 ARG A 18 -5.428 -1.525 19.742 1.00 0.00 N ATOM 244 NH2 ARG A 18 -3.838 -1.804 21.373 1.00 0.00 N ATOM 0 H ARG A 18 -4.913 2.375 15.756 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.760 1.113 16.776 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.727 0.775 17.146 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.658 -0.354 17.954 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.421 1.746 18.851 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.830 2.645 18.323 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.424 2.156 20.515 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.184 0.826 19.664 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.784 0.682 21.398 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.995 -0.913 19.155 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.519 -2.538 19.661 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.179 -1.407 22.043 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.932 -2.816 21.289 1.00 0.00 H new ATOM 258 N GLU A 19 -4.557 -1.091 15.075 1.00 0.00 N ATOM 259 CA GLU A 19 -4.492 -2.385 14.407 1.00 0.00 C ATOM 260 C GLU A 19 -3.132 -2.587 13.743 1.00 0.00 C ATOM 261 O GLU A 19 -2.599 -3.697 13.719 1.00 0.00 O ATOM 262 CB GLU A 19 -5.604 -2.502 13.362 1.00 0.00 C ATOM 263 CG GLU A 19 -6.990 -2.664 13.964 1.00 0.00 C ATOM 264 CD GLU A 19 -7.945 -3.395 13.040 1.00 0.00 C ATOM 265 OE1 GLU A 19 -7.485 -4.283 12.293 1.00 0.00 O ATOM 266 OE2 GLU A 19 -9.152 -3.078 13.066 1.00 0.00 O ATOM 0 H GLU A 19 -5.457 -0.619 14.993 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.629 -3.161 15.160 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.593 -1.613 12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.396 -3.355 12.716 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.912 -3.209 14.905 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.398 -1.681 14.198 1.00 0.00 H new ATOM 273 N LEU A 20 -2.577 -1.506 13.205 1.00 0.00 N ATOM 274 CA LEU A 20 -1.280 -1.563 12.540 1.00 0.00 C ATOM 275 C LEU A 20 -0.225 -2.176 13.455 1.00 0.00 C ATOM 276 O LEU A 20 0.550 -3.037 13.038 1.00 0.00 O ATOM 277 CB LEU A 20 -0.845 -0.162 12.108 1.00 0.00 C ATOM 278 CG LEU A 20 -1.803 0.581 11.176 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.360 2.025 10.996 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.892 -0.123 9.830 1.00 0.00 C ATOM 0 H LEU A 20 -3.005 -0.580 13.216 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.379 -2.195 11.657 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.698 0.443 13.003 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.123 -0.240 11.614 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.794 0.580 11.630 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.054 2.538 10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.349 2.526 11.964 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.359 2.047 10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.578 0.420 9.180 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.904 -0.154 9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.257 -1.140 9.975 1.00 0.00 H new ATOM 292 N LEU A 21 -0.203 -1.729 14.706 1.00 0.00 N ATOM 293 CA LEU A 21 0.755 -2.235 15.683 1.00 0.00 C ATOM 294 C LEU A 21 0.690 -3.757 15.772 1.00 0.00 C ATOM 295 O LEU A 21 1.591 -4.395 16.315 1.00 0.00 O ATOM 296 CB LEU A 21 0.485 -1.621 17.057 1.00 0.00 C ATOM 297 CG LEU A 21 0.367 -0.097 17.100 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.109 0.364 18.468 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.699 0.551 16.750 1.00 0.00 C ATOM 0 H LEU A 21 -0.838 -1.017 15.068 1.00 0.00 H new ATOM 0 HA LEU A 21 1.755 -1.951 15.355 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.438 -2.048 17.448 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.287 -1.922 17.731 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.371 0.212 16.359 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.187 1.451 18.479 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.086 -0.072 18.679 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.603 0.044 19.228 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.596 1.636 16.786 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.457 0.235 17.467 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.999 0.248 15.747 1.00 0.00 H new ATOM 311 N GLU A 22 -0.381 -4.331 15.233 1.00 0.00 N ATOM 312 CA GLU A 22 -0.562 -5.777 15.251 1.00 0.00 C ATOM 313 C GLU A 22 -0.248 -6.382 13.885 1.00 0.00 C ATOM 314 O GLU A 22 -0.738 -5.914 12.859 1.00 0.00 O ATOM 315 CB GLU A 22 -1.995 -6.129 15.659 1.00 0.00 C ATOM 316 CG GLU A 22 -2.391 -5.583 17.020 1.00 0.00 C ATOM 317 CD GLU A 22 -2.092 -6.553 18.147 1.00 0.00 C ATOM 318 OE1 GLU A 22 -2.841 -7.541 18.295 1.00 0.00 O ATOM 319 OE2 GLU A 22 -1.109 -6.323 18.882 1.00 0.00 O ATOM 0 H GLU A 22 -1.136 -3.817 14.779 1.00 0.00 H new ATOM 0 HA GLU A 22 0.130 -6.195 15.982 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.683 -5.742 14.907 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.106 -7.213 15.665 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.861 -4.648 17.200 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.456 -5.351 17.018 1.00 0.00 H new ATOM 326 N GLY A 23 0.575 -7.426 13.882 1.00 0.00 N ATOM 327 CA GLY A 23 0.942 -8.078 12.639 1.00 0.00 C ATOM 328 C GLY A 23 1.500 -7.106 11.617 1.00 0.00 C ATOM 329 O GLY A 23 1.605 -5.909 11.883 1.00 0.00 O ATOM 0 H GLY A 23 0.994 -7.832 14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.683 -8.851 12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.067 -8.577 12.222 1.00 0.00 H new ATOM 333 N ASP A 24 1.859 -7.622 10.447 1.00 0.00 N ATOM 334 CA ASP A 24 2.409 -6.791 9.382 1.00 0.00 C ATOM 335 C ASP A 24 1.309 -5.987 8.697 1.00 0.00 C ATOM 336 O ASP A 24 0.234 -6.511 8.406 1.00 0.00 O ATOM 337 CB ASP A 24 3.139 -7.659 8.356 1.00 0.00 C ATOM 338 CG ASP A 24 4.324 -8.391 8.954 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.970 -7.831 9.864 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.606 -9.525 8.512 1.00 0.00 O ATOM 0 H ASP A 24 1.779 -8.611 10.212 1.00 0.00 H new ATOM 0 HA ASP A 24 3.119 -6.094 9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.442 -8.384 7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.481 -7.032 7.532 1.00 0.00 H new ATOM 345 N TRP A 25 1.586 -4.713 8.443 1.00 0.00 N ATOM 346 CA TRP A 25 0.619 -3.836 7.793 1.00 0.00 C ATOM 347 C TRP A 25 1.305 -2.921 6.785 1.00 0.00 C ATOM 348 O TRP A 25 2.196 -2.150 7.140 1.00 0.00 O ATOM 349 CB TRP A 25 -0.125 -3.000 8.836 1.00 0.00 C ATOM 350 CG TRP A 25 -1.237 -3.745 9.511 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.117 -4.662 10.515 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.636 -3.636 9.229 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.358 -5.130 10.874 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.307 -4.515 10.101 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.388 -2.879 8.326 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.692 -4.658 10.093 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.762 -3.022 8.320 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.403 -3.905 9.199 1.00 0.00 C ATOM 0 H TRP A 25 2.472 -4.265 8.677 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.098 -4.460 7.260 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.584 -2.658 9.590 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.532 -2.111 8.355 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.184 -4.974 10.961 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.543 -5.823 11.599 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.904 -2.195 7.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.188 -5.339 10.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.353 -2.443 7.625 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.479 -3.993 9.170 1.00 0.00 H new ATOM 369 N MET A 26 0.885 -3.011 5.528 1.00 0.00 N ATOM 370 CA MET A 26 1.460 -2.189 4.469 1.00 0.00 C ATOM 371 C MET A 26 0.575 -0.981 4.178 1.00 0.00 C ATOM 372 O MET A 26 -0.520 -1.120 3.632 1.00 0.00 O ATOM 373 CB MET A 26 1.648 -3.016 3.197 1.00 0.00 C ATOM 374 CG MET A 26 2.929 -3.835 3.188 1.00 0.00 C ATOM 375 SD MET A 26 4.402 -2.818 2.973 1.00 0.00 S ATOM 376 CE MET A 26 4.391 -2.577 1.199 1.00 0.00 C ATOM 0 H MET A 26 0.149 -3.645 5.217 1.00 0.00 H new ATOM 0 HA MET A 26 2.432 -1.832 4.808 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.797 -3.687 3.081 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.648 -2.348 2.336 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.008 -4.389 4.123 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.880 -4.571 2.385 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.925 -1.659 0.953 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.880 -3.422 0.714 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.362 -2.503 0.848 1.00 0.00 H new ATOM 386 N ILE A 27 1.056 0.202 4.547 1.00 0.00 N ATOM 387 CA ILE A 27 0.308 1.433 4.324 1.00 0.00 C ATOM 388 C ILE A 27 0.903 2.237 3.173 1.00 0.00 C ATOM 389 O ILE A 27 2.103 2.165 2.908 1.00 0.00 O ATOM 390 CB ILE A 27 0.280 2.311 5.588 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.100 1.473 6.810 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.693 3.467 5.409 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.438 2.023 8.112 1.00 0.00 C ATOM 0 H ILE A 27 1.960 0.334 5.001 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.711 1.141 4.071 1.00 0.00 H new ATOM 0 HB ILE A 27 1.277 2.722 5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.186 1.410 6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.271 0.457 6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.701 4.079 6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.382 4.076 4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.694 3.075 5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.129 1.378 8.935 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.527 2.060 8.069 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.046 3.028 8.272 1.00 0.00 H new ATOM 405 N GLU A 28 0.056 3.003 2.493 1.00 0.00 N ATOM 406 CA GLU A 28 0.499 3.822 1.371 1.00 0.00 C ATOM 407 C GLU A 28 -0.278 5.134 1.314 1.00 0.00 C ATOM 408 O GLU A 28 -1.470 5.150 1.009 1.00 0.00 O ATOM 409 CB GLU A 28 0.329 3.059 0.055 1.00 0.00 C ATOM 410 CG GLU A 28 -1.122 2.852 -0.345 1.00 0.00 C ATOM 411 CD GLU A 28 -1.647 3.963 -1.232 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.901 4.937 -1.466 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.803 3.860 -1.693 1.00 0.00 O ATOM 0 H GLU A 28 -0.940 3.074 2.699 1.00 0.00 H new ATOM 0 HA GLU A 28 1.555 4.051 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.842 3.602 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.815 2.087 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.219 1.900 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.737 2.788 0.553 1.00 0.00 H new ATOM 420 N PHE A 29 0.407 6.233 1.611 1.00 0.00 N ATOM 421 CA PHE A 29 -0.217 7.551 1.596 1.00 0.00 C ATOM 422 C PHE A 29 -0.347 8.075 0.169 1.00 0.00 C ATOM 423 O PHE A 29 0.651 8.372 -0.488 1.00 0.00 O ATOM 424 CB PHE A 29 0.596 8.534 2.440 1.00 0.00 C ATOM 425 CG PHE A 29 0.476 8.297 3.919 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.301 7.386 4.558 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.463 8.986 4.670 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.193 7.166 5.918 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.576 8.771 6.030 1.00 0.00 C ATOM 430 CZ PHE A 29 0.253 7.859 6.655 1.00 0.00 C ATOM 0 H PHE A 29 1.395 6.237 1.865 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.216 7.457 2.022 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.645 8.465 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.270 9.550 2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.038 6.841 3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.114 9.699 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.843 6.453 6.404 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.311 9.315 6.604 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.166 7.689 7.718 1.00 0.00 H new ATOM 440 N TYR A 30 -1.584 8.185 -0.304 1.00 0.00 N ATOM 441 CA TYR A 30 -1.845 8.670 -1.654 1.00 0.00 C ATOM 442 C TYR A 30 -2.689 9.941 -1.622 1.00 0.00 C ATOM 443 O TYR A 30 -3.196 10.337 -0.573 1.00 0.00 O ATOM 444 CB TYR A 30 -2.556 7.594 -2.476 1.00 0.00 C ATOM 445 CG TYR A 30 -4.025 7.451 -2.147 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.959 8.352 -2.643 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.478 6.415 -1.340 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.302 8.225 -2.344 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.819 6.280 -1.037 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.727 7.188 -1.541 1.00 0.00 C ATOM 451 OH TYR A 30 -8.064 7.058 -1.242 1.00 0.00 O ATOM 0 H TYR A 30 -2.421 7.945 0.227 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.888 8.902 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.451 7.829 -3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.061 6.637 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.630 9.165 -3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.770 5.703 -0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.015 8.934 -2.737 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.155 5.468 -0.409 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.173 6.944 -0.275 1.00 0.00 H new ATOM 461 N ALA A 31 -2.834 10.576 -2.780 1.00 0.00 N ATOM 462 CA ALA A 31 -3.617 11.801 -2.888 1.00 0.00 C ATOM 463 C ALA A 31 -4.342 11.873 -4.227 1.00 0.00 C ATOM 464 O ALA A 31 -3.788 11.552 -5.279 1.00 0.00 O ATOM 465 CB ALA A 31 -2.723 13.017 -2.703 1.00 0.00 C ATOM 0 H ALA A 31 -2.419 10.262 -3.657 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.368 11.793 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.321 13.924 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.256 12.979 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.950 13.020 -3.471 1.00 0.00 H new ATOM 471 N PRO A 32 -5.612 12.303 -4.191 1.00 0.00 N ATOM 472 CA PRO A 32 -6.440 12.428 -5.394 1.00 0.00 C ATOM 473 C PRO A 32 -5.978 13.563 -6.302 1.00 0.00 C ATOM 474 O PRO A 32 -6.594 13.837 -7.332 1.00 0.00 O ATOM 475 CB PRO A 32 -7.835 12.723 -4.836 1.00 0.00 C ATOM 476 CG PRO A 32 -7.586 13.348 -3.507 1.00 0.00 C ATOM 477 CD PRO A 32 -6.337 12.703 -2.973 1.00 0.00 C ATOM 0 HA PRO A 32 -6.395 11.533 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.390 13.394 -5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.424 11.811 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.459 14.426 -3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.428 13.184 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.754 13.397 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.566 11.845 -2.342 1.00 0.00 H new ATOM 485 N TRP A 33 -4.891 14.219 -5.913 1.00 0.00 N ATOM 486 CA TRP A 33 -4.346 15.325 -6.692 1.00 0.00 C ATOM 487 C TRP A 33 -2.876 15.087 -7.021 1.00 0.00 C ATOM 488 O TRP A 33 -2.261 15.864 -7.753 1.00 0.00 O ATOM 489 CB TRP A 33 -4.504 16.641 -5.929 1.00 0.00 C ATOM 490 CG TRP A 33 -4.496 16.468 -4.440 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.579 16.266 -3.632 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.350 16.485 -3.582 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.175 16.156 -2.324 1.00 0.00 N ATOM 494 CE2 TRP A 33 -3.812 16.286 -2.266 1.00 0.00 C ATOM 495 CE3 TRP A 33 -1.979 16.646 -3.796 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -2.951 16.246 -1.173 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.125 16.606 -2.710 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.613 16.407 -1.412 1.00 0.00 C ATOM 0 H TRP A 33 -4.370 14.004 -5.063 1.00 0.00 H new ATOM 0 HA TRP A 33 -4.903 15.387 -7.627 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.698 17.317 -6.214 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.438 17.116 -6.228 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.602 16.202 -3.972 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.790 16.002 -1.525 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.593 16.799 -4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.326 16.093 -0.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.063 16.730 -2.865 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.920 16.380 -0.584 1.00 0.00 H new ATOM 509 N CYS A 34 -2.320 14.011 -6.477 1.00 0.00 N ATOM 510 CA CYS A 34 -0.921 13.671 -6.713 1.00 0.00 C ATOM 511 C CYS A 34 -0.760 12.904 -8.021 1.00 0.00 C ATOM 512 O CYS A 34 -1.546 12.015 -8.348 1.00 0.00 O ATOM 513 CB CYS A 34 -0.373 12.842 -5.551 1.00 0.00 C ATOM 514 SG CYS A 34 0.405 13.823 -4.246 1.00 0.00 S ATOM 0 H CYS A 34 -2.816 13.359 -5.870 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.355 14.600 -6.786 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.187 12.261 -5.118 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.356 12.130 -5.939 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.372 14.816 -3.928 1.00 0.00 H new ATOM 520 N PRO A 35 0.281 13.256 -8.790 1.00 0.00 N ATOM 521 CA PRO A 35 0.569 12.614 -10.076 1.00 0.00 C ATOM 522 C PRO A 35 1.050 11.177 -9.911 1.00 0.00 C ATOM 523 O PRO A 35 0.526 10.260 -10.543 1.00 0.00 O ATOM 524 CB PRO A 35 1.679 13.485 -10.667 1.00 0.00 C ATOM 525 CG PRO A 35 2.341 14.108 -9.487 1.00 0.00 C ATOM 526 CD PRO A 35 1.259 14.308 -8.463 1.00 0.00 C ATOM 0 HA PRO A 35 -0.318 12.546 -10.705 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.383 12.889 -11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.273 14.242 -11.338 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.132 13.466 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.804 15.057 -9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.641 14.200 -7.448 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.818 15.302 -8.533 1.00 0.00 H new ATOM 534 N ALA A 36 2.051 10.987 -9.058 1.00 0.00 N ATOM 535 CA ALA A 36 2.601 9.660 -8.808 1.00 0.00 C ATOM 536 C ALA A 36 1.524 8.705 -8.307 1.00 0.00 C ATOM 537 O ALA A 36 1.497 7.532 -8.682 1.00 0.00 O ATOM 538 CB ALA A 36 3.744 9.743 -7.807 1.00 0.00 C ATOM 0 H ALA A 36 2.498 11.735 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 36 2.986 9.269 -9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.145 8.745 -7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.530 10.385 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.376 10.158 -6.869 1.00 0.00 H new ATOM 544 N CYS A 37 0.639 9.212 -7.457 1.00 0.00 N ATOM 545 CA CYS A 37 -0.440 8.403 -6.902 1.00 0.00 C ATOM 546 C CYS A 37 -1.247 7.738 -8.013 1.00 0.00 C ATOM 547 O CYS A 37 -1.375 6.515 -8.053 1.00 0.00 O ATOM 548 CB CYS A 37 -1.358 9.264 -6.034 1.00 0.00 C ATOM 549 SG CYS A 37 -3.055 8.650 -5.917 1.00 0.00 S ATOM 0 H CYS A 37 0.647 10.180 -7.137 1.00 0.00 H new ATOM 0 HA CYS A 37 0.005 7.624 -6.284 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.936 9.328 -5.031 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.377 10.277 -6.437 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.853 9.634 -5.624 1.00 0.00 H new ATOM 555 N GLN A 38 -1.791 8.553 -8.911 1.00 0.00 N ATOM 556 CA GLN A 38 -2.588 8.044 -10.021 1.00 0.00 C ATOM 557 C GLN A 38 -1.913 6.838 -10.667 1.00 0.00 C ATOM 558 O GLN A 38 -2.567 6.023 -11.315 1.00 0.00 O ATOM 559 CB GLN A 38 -2.807 9.141 -11.064 1.00 0.00 C ATOM 560 CG GLN A 38 -3.070 10.511 -10.461 1.00 0.00 C ATOM 561 CD GLN A 38 -3.937 11.382 -11.348 1.00 0.00 C ATOM 562 OE1 GLN A 38 -4.076 11.126 -12.544 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.526 12.420 -10.765 1.00 0.00 N ATOM 0 H GLN A 38 -1.694 9.568 -8.892 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.554 7.729 -9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.929 9.199 -11.708 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.649 8.865 -11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.554 10.390 -9.492 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.119 11.014 -10.282 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.383 12.595 -9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.121 13.042 -11.312 1.00 0.00 H new ATOM 572 N ASN A 39 -0.601 6.733 -10.485 1.00 0.00 N ATOM 573 CA ASN A 39 0.162 5.627 -11.051 1.00 0.00 C ATOM 574 C ASN A 39 0.244 4.463 -10.069 1.00 0.00 C ATOM 575 O ASN A 39 0.321 3.301 -10.470 1.00 0.00 O ATOM 576 CB ASN A 39 1.571 6.091 -11.427 1.00 0.00 C ATOM 577 CG ASN A 39 1.643 6.632 -12.842 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.314 5.935 -13.803 1.00 0.00 O ATOM 579 ND2 ASN A 39 2.075 7.881 -12.977 1.00 0.00 N ATOM 0 H ASN A 39 -0.044 7.400 -9.950 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.353 5.286 -11.949 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.895 6.863 -10.729 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.265 5.257 -11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.145 8.299 -13.905 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.337 8.422 -12.153 1.00 0.00 H new ATOM 586 N LEU A 40 0.227 4.782 -8.779 1.00 0.00 N ATOM 587 CA LEU A 40 0.299 3.763 -7.738 1.00 0.00 C ATOM 588 C LEU A 40 -1.064 3.115 -7.515 1.00 0.00 C ATOM 589 O LEU A 40 -1.154 1.925 -7.218 1.00 0.00 O ATOM 590 CB LEU A 40 0.804 4.376 -6.431 1.00 0.00 C ATOM 591 CG LEU A 40 1.154 3.389 -5.317 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.354 2.542 -5.712 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.426 4.128 -4.015 1.00 0.00 C ATOM 0 H LEU A 40 0.164 5.738 -8.429 1.00 0.00 H new ATOM 0 HA LEU A 40 0.998 2.993 -8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.689 4.973 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.043 5.061 -6.056 1.00 0.00 H new ATOM 0 HG LEU A 40 0.302 2.727 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.589 1.845 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.123 1.984 -6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.212 3.189 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.673 3.409 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.261 4.815 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.539 4.690 -3.723 1.00 0.00 H new ATOM 605 N GLN A 41 -2.121 3.907 -7.664 1.00 0.00 N ATOM 606 CA GLN A 41 -3.479 3.409 -7.480 1.00 0.00 C ATOM 607 C GLN A 41 -3.594 1.959 -7.938 1.00 0.00 C ATOM 608 O GLN A 41 -3.986 1.072 -7.180 1.00 0.00 O ATOM 609 CB GLN A 41 -4.473 4.280 -8.252 1.00 0.00 C ATOM 610 CG GLN A 41 -5.027 5.438 -7.437 1.00 0.00 C ATOM 611 CD GLN A 41 -5.468 5.017 -6.049 1.00 0.00 C ATOM 612 OE1 GLN A 41 -6.624 4.652 -5.836 1.00 0.00 O ATOM 613 NE2 GLN A 41 -4.545 5.065 -5.095 1.00 0.00 N ATOM 0 H GLN A 41 -2.063 4.895 -7.911 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.715 3.455 -6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.983 4.675 -9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.300 3.658 -8.593 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.267 6.214 -7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.873 5.877 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.598 5.374 -5.316 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.783 4.793 -4.141 1.00 0.00 H new ATOM 622 N PRO A 42 -3.245 1.710 -9.209 1.00 0.00 N ATOM 623 CA PRO A 42 -3.301 0.368 -9.797 1.00 0.00 C ATOM 624 C PRO A 42 -2.239 -0.562 -9.220 1.00 0.00 C ATOM 625 O PRO A 42 -2.528 -1.705 -8.867 1.00 0.00 O ATOM 626 CB PRO A 42 -3.039 0.621 -11.284 1.00 0.00 C ATOM 627 CG PRO A 42 -2.265 1.893 -11.321 1.00 0.00 C ATOM 628 CD PRO A 42 -2.769 2.719 -10.170 1.00 0.00 C ATOM 0 HA PRO A 42 -4.252 -0.126 -9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.476 -0.198 -11.732 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.972 0.709 -11.841 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.196 1.702 -11.226 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.413 2.412 -12.268 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.980 3.339 -9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.571 3.390 -10.478 1.00 0.00 H new ATOM 636 N GLU A 43 -1.010 -0.064 -9.126 1.00 0.00 N ATOM 637 CA GLU A 43 0.094 -0.851 -8.591 1.00 0.00 C ATOM 638 C GLU A 43 -0.274 -1.458 -7.240 1.00 0.00 C ATOM 639 O GLU A 43 0.094 -2.593 -6.937 1.00 0.00 O ATOM 640 CB GLU A 43 1.347 0.016 -8.449 1.00 0.00 C ATOM 641 CG GLU A 43 2.224 0.026 -9.690 1.00 0.00 C ATOM 642 CD GLU A 43 1.818 1.098 -10.682 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.825 0.888 -11.410 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.493 2.147 -10.731 1.00 0.00 O ATOM 0 H GLU A 43 -0.754 0.881 -9.413 1.00 0.00 H new ATOM 0 HA GLU A 43 0.300 -1.662 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.047 1.038 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.933 -0.343 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.262 0.183 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.174 -0.949 -10.174 1.00 0.00 H new ATOM 651 N TRP A 44 -1.001 -0.693 -6.434 1.00 0.00 N ATOM 652 CA TRP A 44 -1.419 -1.155 -5.115 1.00 0.00 C ATOM 653 C TRP A 44 -2.425 -2.295 -5.230 1.00 0.00 C ATOM 654 O TRP A 44 -2.281 -3.329 -4.579 1.00 0.00 O ATOM 655 CB TRP A 44 -2.027 0.000 -4.317 1.00 0.00 C ATOM 656 CG TRP A 44 -1.912 -0.177 -2.834 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.935 -0.216 -1.931 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.704 -0.337 -2.081 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.437 -0.391 -0.662 1.00 0.00 N ATOM 660 CE2 TRP A 44 -1.071 -0.469 -0.728 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.651 -0.384 -2.419 1.00 0.00 C ATOM 662 CZ2 TRP A 44 -0.131 -0.642 0.285 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.583 -0.556 -1.413 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.189 -0.684 -0.075 1.00 0.00 C ATOM 0 H TRP A 44 -1.313 0.249 -6.670 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.538 -1.526 -4.591 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.535 0.929 -4.604 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.079 0.102 -4.583 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.982 -0.123 -2.178 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.994 -0.453 0.190 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.964 -0.288 -3.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.433 -0.740 1.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.633 -0.592 -1.663 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.942 -0.819 0.688 1.00 0.00 H new ATOM 675 N GLU A 45 -3.443 -2.098 -6.063 1.00 0.00 N ATOM 676 CA GLU A 45 -4.472 -3.111 -6.261 1.00 0.00 C ATOM 677 C GLU A 45 -3.853 -4.443 -6.677 1.00 0.00 C ATOM 678 O GLU A 45 -4.180 -5.492 -6.122 1.00 0.00 O ATOM 679 CB GLU A 45 -5.475 -2.650 -7.321 1.00 0.00 C ATOM 680 CG GLU A 45 -6.551 -1.724 -6.778 1.00 0.00 C ATOM 681 CD GLU A 45 -7.718 -1.562 -7.733 1.00 0.00 C ATOM 682 OE1 GLU A 45 -8.344 -2.584 -8.084 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.004 -0.413 -8.130 1.00 0.00 O ATOM 0 H GLU A 45 -3.576 -1.248 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.993 -3.252 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.938 -2.140 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.950 -3.525 -7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.915 -2.115 -5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.115 -0.746 -6.574 1.00 0.00 H new ATOM 690 N SER A 46 -2.957 -4.391 -7.658 1.00 0.00 N ATOM 691 CA SER A 46 -2.295 -5.592 -8.152 1.00 0.00 C ATOM 692 C SER A 46 -1.409 -6.207 -7.072 1.00 0.00 C ATOM 693 O SER A 46 -1.084 -7.394 -7.121 1.00 0.00 O ATOM 694 CB SER A 46 -1.457 -5.266 -9.390 1.00 0.00 C ATOM 695 OG SER A 46 -2.281 -5.062 -10.524 1.00 0.00 O ATOM 0 H SER A 46 -2.673 -3.530 -8.126 1.00 0.00 H new ATOM 0 HA SER A 46 -3.064 -6.315 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.861 -4.373 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.759 -6.080 -9.585 1.00 0.00 H new ATOM 0 HG SER A 46 -1.722 -4.854 -11.301 1.00 0.00 H new ATOM 701 N PHE A 47 -1.023 -5.392 -6.097 1.00 0.00 N ATOM 702 CA PHE A 47 -0.174 -5.854 -5.005 1.00 0.00 C ATOM 703 C PHE A 47 -0.998 -6.582 -3.947 1.00 0.00 C ATOM 704 O PHE A 47 -0.740 -7.744 -3.636 1.00 0.00 O ATOM 705 CB PHE A 47 0.564 -4.673 -4.370 1.00 0.00 C ATOM 706 CG PHE A 47 0.900 -4.886 -2.922 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.227 -6.147 -2.451 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.889 -3.824 -2.031 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.537 -6.346 -1.118 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.199 -4.017 -0.698 1.00 0.00 C ATOM 711 CZ PHE A 47 1.522 -5.280 -0.241 1.00 0.00 C ATOM 0 H PHE A 47 -1.284 -4.408 -6.040 1.00 0.00 H new ATOM 0 HA PHE A 47 0.556 -6.552 -5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.484 -4.489 -4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.050 -3.778 -4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.240 -6.985 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.635 -2.835 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.791 -7.334 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.189 -3.181 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.762 -5.433 0.801 1.00 0.00 H new ATOM 721 N ALA A 48 -1.990 -5.889 -3.398 1.00 0.00 N ATOM 722 CA ALA A 48 -2.853 -6.468 -2.376 1.00 0.00 C ATOM 723 C ALA A 48 -3.340 -7.853 -2.790 1.00 0.00 C ATOM 724 O ALA A 48 -3.771 -8.645 -1.952 1.00 0.00 O ATOM 725 CB ALA A 48 -4.035 -5.551 -2.101 1.00 0.00 C ATOM 0 H ALA A 48 -2.216 -4.925 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.270 -6.574 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.671 -5.996 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.672 -4.584 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.611 -5.415 -3.017 1.00 0.00 H new ATOM 731 N GLU A 49 -3.269 -8.137 -4.087 1.00 0.00 N ATOM 732 CA GLU A 49 -3.705 -9.426 -4.610 1.00 0.00 C ATOM 733 C GLU A 49 -2.994 -10.572 -3.897 1.00 0.00 C ATOM 734 O GLU A 49 -3.632 -11.414 -3.264 1.00 0.00 O ATOM 735 CB GLU A 49 -3.441 -9.506 -6.115 1.00 0.00 C ATOM 736 CG GLU A 49 -4.505 -8.823 -6.957 1.00 0.00 C ATOM 737 CD GLU A 49 -5.637 -9.758 -7.338 1.00 0.00 C ATOM 738 OE1 GLU A 49 -5.493 -10.482 -8.345 1.00 0.00 O ATOM 739 OE2 GLU A 49 -6.665 -9.765 -6.630 1.00 0.00 O ATOM 0 H GLU A 49 -2.914 -7.493 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.776 -9.518 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.473 -9.053 -6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.375 -10.554 -6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.910 -7.974 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.047 -8.426 -7.863 1.00 0.00 H new ATOM 746 N TRP A 50 -1.670 -10.597 -4.004 1.00 0.00 N ATOM 747 CA TRP A 50 -0.872 -11.640 -3.369 1.00 0.00 C ATOM 748 C TRP A 50 -0.515 -11.256 -1.937 1.00 0.00 C ATOM 749 O TRP A 50 -0.183 -12.114 -1.120 1.00 0.00 O ATOM 750 CB TRP A 50 0.403 -11.895 -4.175 1.00 0.00 C ATOM 751 CG TRP A 50 1.154 -10.643 -4.512 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.212 -10.024 -5.728 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.956 -9.859 -3.622 1.00 0.00 C ATOM 754 NE1 TRP A 50 2.001 -8.902 -5.647 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.469 -8.778 -4.366 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.288 -9.963 -2.268 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.296 -7.812 -3.800 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.110 -9.003 -1.709 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.606 -7.938 -2.473 1.00 0.00 C ATOM 0 H TRP A 50 -1.127 -9.908 -4.524 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.466 -12.553 -3.343 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.055 -12.560 -3.609 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.143 -12.414 -5.098 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.711 -10.366 -6.622 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.205 -8.264 -6.417 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.909 -10.779 -1.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.680 -6.991 -4.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.375 -9.075 -0.664 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.245 -7.203 -2.006 1.00 0.00 H new ATOM 770 N GLY A 51 -0.586 -9.962 -1.640 1.00 0.00 N ATOM 771 CA GLY A 51 -0.267 -9.489 -0.305 1.00 0.00 C ATOM 772 C GLY A 51 -0.734 -10.444 0.775 1.00 0.00 C ATOM 773 O GLY A 51 0.076 -11.132 1.396 1.00 0.00 O ATOM 0 H GLY A 51 -0.859 -9.233 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.811 -9.349 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.729 -8.514 -0.148 1.00 0.00 H new ATOM 777 N GLU A 52 -2.043 -10.485 1.001 1.00 0.00 N ATOM 778 CA GLU A 52 -2.615 -11.362 2.017 1.00 0.00 C ATOM 779 C GLU A 52 -2.090 -12.786 1.865 1.00 0.00 C ATOM 780 O GLU A 52 -2.072 -13.558 2.823 1.00 0.00 O ATOM 781 CB GLU A 52 -4.143 -11.357 1.924 1.00 0.00 C ATOM 782 CG GLU A 52 -4.679 -12.055 0.686 1.00 0.00 C ATOM 783 CD GLU A 52 -6.086 -12.588 0.880 1.00 0.00 C ATOM 784 OE1 GLU A 52 -7.046 -11.814 0.683 1.00 0.00 O ATOM 785 OE2 GLU A 52 -6.226 -13.779 1.228 1.00 0.00 O ATOM 0 H GLU A 52 -2.727 -9.922 0.495 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.316 -10.986 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.554 -11.840 2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.496 -10.326 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.671 -11.358 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.016 -12.879 0.422 1.00 0.00 H new ATOM 792 N ASP A 53 -1.663 -13.127 0.654 1.00 0.00 N ATOM 793 CA ASP A 53 -1.137 -14.458 0.375 1.00 0.00 C ATOM 794 C ASP A 53 0.154 -14.705 1.150 1.00 0.00 C ATOM 795 O ASP A 53 0.377 -15.797 1.674 1.00 0.00 O ATOM 796 CB ASP A 53 -0.886 -14.627 -1.125 1.00 0.00 C ATOM 797 CG ASP A 53 -1.058 -16.062 -1.582 1.00 0.00 C ATOM 798 OD1 ASP A 53 -2.176 -16.598 -1.444 1.00 0.00 O ATOM 799 OD2 ASP A 53 -0.072 -16.649 -2.078 1.00 0.00 O ATOM 0 H ASP A 53 -1.671 -12.500 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.879 -15.190 0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.572 -13.987 -1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.124 -14.292 -1.362 1.00 0.00 H new ATOM 804 N LEU A 54 1.002 -13.684 1.217 1.00 0.00 N ATOM 805 CA LEU A 54 2.272 -13.791 1.927 1.00 0.00 C ATOM 806 C LEU A 54 2.104 -13.431 3.400 1.00 0.00 C ATOM 807 O LEU A 54 3.064 -13.051 4.069 1.00 0.00 O ATOM 808 CB LEU A 54 3.317 -12.877 1.284 1.00 0.00 C ATOM 809 CG LEU A 54 3.434 -12.961 -0.239 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.201 -11.764 -0.781 1.00 0.00 C ATOM 811 CD2 LEU A 54 4.109 -14.261 -0.651 1.00 0.00 C ATOM 0 H LEU A 54 0.833 -12.774 0.789 1.00 0.00 H new ATOM 0 HA LEU A 54 2.611 -14.825 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.086 -11.847 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.290 -13.110 1.717 1.00 0.00 H new ATOM 0 HG LEU A 54 2.430 -12.946 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.275 -11.840 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.677 -10.846 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.202 -11.747 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.184 -14.304 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.108 -14.306 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.520 -15.106 -0.294 1.00 0.00 H new ATOM 823 N GLU A 55 0.878 -13.556 3.899 1.00 0.00 N ATOM 824 CA GLU A 55 0.585 -13.245 5.293 1.00 0.00 C ATOM 825 C GLU A 55 0.919 -11.790 5.608 1.00 0.00 C ATOM 826 O GLU A 55 1.681 -11.502 6.531 1.00 0.00 O ATOM 827 CB GLU A 55 1.372 -14.173 6.221 1.00 0.00 C ATOM 828 CG GLU A 55 0.688 -15.506 6.472 1.00 0.00 C ATOM 829 CD GLU A 55 1.240 -16.226 7.687 1.00 0.00 C ATOM 830 OE1 GLU A 55 0.965 -15.776 8.819 1.00 0.00 O ATOM 831 OE2 GLU A 55 1.947 -17.239 7.506 1.00 0.00 O ATOM 0 H GLU A 55 0.072 -13.870 3.359 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.482 -13.398 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.356 -14.355 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.530 -13.670 7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.381 -15.342 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.805 -16.141 5.594 1.00 0.00 H new ATOM 838 N VAL A 56 0.344 -10.876 4.833 1.00 0.00 N ATOM 839 CA VAL A 56 0.580 -9.450 5.028 1.00 0.00 C ATOM 840 C VAL A 56 -0.658 -8.635 4.672 1.00 0.00 C ATOM 841 O VAL A 56 -1.182 -8.736 3.563 1.00 0.00 O ATOM 842 CB VAL A 56 1.768 -8.957 4.181 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.297 -8.528 2.800 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.486 -7.816 4.886 1.00 0.00 C ATOM 0 H VAL A 56 -0.289 -11.097 4.064 1.00 0.00 H new ATOM 0 HA VAL A 56 0.813 -9.309 6.083 1.00 0.00 H new ATOM 0 HB VAL A 56 2.472 -9.780 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.150 -8.183 2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.830 -9.374 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.573 -7.719 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.323 -7.479 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.793 -6.989 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.858 -8.161 5.851 1.00 0.00 H new ATOM 854 N ASN A 57 -1.121 -7.826 5.619 1.00 0.00 N ATOM 855 CA ASN A 57 -2.298 -6.992 5.405 1.00 0.00 C ATOM 856 C ASN A 57 -1.921 -5.687 4.710 1.00 0.00 C ATOM 857 O ASN A 57 -0.937 -5.042 5.071 1.00 0.00 O ATOM 858 CB ASN A 57 -2.985 -6.692 6.739 1.00 0.00 C ATOM 859 CG ASN A 57 -3.045 -7.907 7.645 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.925 -8.757 7.506 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.105 -7.995 8.579 1.00 0.00 N ATOM 0 H ASN A 57 -0.699 -7.730 6.543 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.988 -7.539 4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.451 -5.889 7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.997 -6.332 6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.093 -8.791 9.217 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.395 -7.267 8.658 1.00 0.00 H new ATOM 868 N ILE A 58 -2.711 -5.306 3.712 1.00 0.00 N ATOM 869 CA ILE A 58 -2.461 -4.078 2.968 1.00 0.00 C ATOM 870 C ILE A 58 -3.549 -3.042 3.235 1.00 0.00 C ATOM 871 O ILE A 58 -4.723 -3.382 3.373 1.00 0.00 O ATOM 872 CB ILE A 58 -2.383 -4.344 1.453 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.209 -5.273 1.137 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.248 -3.034 0.691 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.533 -6.739 1.321 1.00 0.00 C ATOM 0 H ILE A 58 -3.529 -5.830 3.400 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.502 -3.691 3.311 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.305 -4.832 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.890 -5.106 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.367 -5.012 1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.194 -3.239 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.113 -2.403 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.340 -2.520 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.655 -7.339 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.823 -6.920 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.355 -7.016 0.660 1.00 0.00 H new ATOM 887 N ALA A 59 -3.149 -1.777 3.305 1.00 0.00 N ATOM 888 CA ALA A 59 -4.089 -0.691 3.551 1.00 0.00 C ATOM 889 C ALA A 59 -3.634 0.595 2.869 1.00 0.00 C ATOM 890 O ALA A 59 -2.487 0.709 2.438 1.00 0.00 O ATOM 891 CB ALA A 59 -4.256 -0.467 5.047 1.00 0.00 C ATOM 0 H ALA A 59 -2.180 -1.479 3.195 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.052 -0.974 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.961 0.347 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.635 -1.378 5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.292 -0.210 5.486 1.00 0.00 H new ATOM 897 N LYS A 60 -4.541 1.561 2.774 1.00 0.00 N ATOM 898 CA LYS A 60 -4.234 2.840 2.145 1.00 0.00 C ATOM 899 C LYS A 60 -4.756 4.000 2.987 1.00 0.00 C ATOM 900 O LYS A 60 -5.813 3.901 3.610 1.00 0.00 O ATOM 901 CB LYS A 60 -4.841 2.901 0.742 1.00 0.00 C ATOM 902 CG LYS A 60 -6.353 3.049 0.739 1.00 0.00 C ATOM 903 CD LYS A 60 -6.946 2.695 -0.614 1.00 0.00 C ATOM 904 CE LYS A 60 -8.362 2.156 -0.478 1.00 0.00 C ATOM 905 NZ LYS A 60 -8.762 1.343 -1.660 1.00 0.00 N ATOM 0 H LYS A 60 -5.496 1.482 3.125 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.150 2.928 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.401 3.739 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.572 1.995 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.784 2.405 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.620 4.074 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.952 3.578 -1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.318 1.951 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.434 1.547 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.057 2.987 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.791 1.194 -1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.496 1.844 -2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.278 0.423 -1.628 1.00 0.00 H new ATOM 919 N VAL A 61 -4.009 5.099 2.999 1.00 0.00 N ATOM 920 CA VAL A 61 -4.398 6.279 3.762 1.00 0.00 C ATOM 921 C VAL A 61 -4.581 7.487 2.851 1.00 0.00 C ATOM 922 O VAL A 61 -3.831 7.675 1.893 1.00 0.00 O ATOM 923 CB VAL A 61 -3.353 6.619 4.842 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.585 8.019 5.389 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.389 5.588 5.960 1.00 0.00 C ATOM 0 H VAL A 61 -3.131 5.197 2.489 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.347 6.044 4.245 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.363 6.593 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.837 8.241 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.504 8.744 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.580 8.077 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.645 5.843 6.714 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.379 5.580 6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.169 4.601 5.552 1.00 0.00 H new ATOM 935 N ASP A 62 -5.584 8.304 3.156 1.00 0.00 N ATOM 936 CA ASP A 62 -5.866 9.496 2.365 1.00 0.00 C ATOM 937 C ASP A 62 -5.394 10.753 3.089 1.00 0.00 C ATOM 938 O ASP A 62 -5.755 10.991 4.242 1.00 0.00 O ATOM 939 CB ASP A 62 -7.363 9.595 2.069 1.00 0.00 C ATOM 940 CG ASP A 62 -8.006 8.236 1.872 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.387 7.377 1.209 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.127 8.031 2.382 1.00 0.00 O ATOM 0 H ASP A 62 -6.215 8.162 3.945 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.322 9.415 1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.859 10.113 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.514 10.198 1.174 1.00 0.00 H new ATOM 947 N VAL A 63 -4.584 11.555 2.405 1.00 0.00 N ATOM 948 CA VAL A 63 -4.063 12.788 2.983 1.00 0.00 C ATOM 949 C VAL A 63 -5.067 13.927 2.847 1.00 0.00 C ATOM 950 O VAL A 63 -4.702 15.102 2.892 1.00 0.00 O ATOM 951 CB VAL A 63 -2.739 13.204 2.315 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.651 12.179 2.599 1.00 0.00 C ATOM 953 CG2 VAL A 63 -2.932 13.387 0.817 1.00 0.00 C ATOM 0 H VAL A 63 -4.275 11.373 1.450 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.883 12.591 4.040 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.424 14.158 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.723 12.490 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.495 12.103 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.954 11.208 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.986 13.681 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.271 12.449 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.677 14.162 0.638 1.00 0.00 H new ATOM 963 N THR A 64 -6.338 13.571 2.682 1.00 0.00 N ATOM 964 CA THR A 64 -7.396 14.563 2.539 1.00 0.00 C ATOM 965 C THR A 64 -8.531 14.301 3.524 1.00 0.00 C ATOM 966 O THR A 64 -9.227 15.225 3.942 1.00 0.00 O ATOM 967 CB THR A 64 -7.966 14.574 1.108 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.596 13.321 0.821 1.00 0.00 O ATOM 969 CG2 THR A 64 -6.867 14.840 0.091 1.00 0.00 C ATOM 0 H THR A 64 -6.659 12.603 2.644 1.00 0.00 H new ATOM 0 HA THR A 64 -6.950 15.535 2.752 1.00 0.00 H new ATOM 0 HB THR A 64 -8.704 15.374 1.040 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.957 13.337 -0.090 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.293 14.843 -0.912 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.410 15.808 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.110 14.059 0.161 1.00 0.00 H new ATOM 977 N GLU A 65 -8.710 13.036 3.890 1.00 0.00 N ATOM 978 CA GLU A 65 -9.761 12.654 4.826 1.00 0.00 C ATOM 979 C GLU A 65 -9.201 12.490 6.236 1.00 0.00 C ATOM 980 O GLU A 65 -9.880 12.778 7.221 1.00 0.00 O ATOM 981 CB GLU A 65 -10.428 11.352 4.375 1.00 0.00 C ATOM 982 CG GLU A 65 -11.011 11.420 2.974 1.00 0.00 C ATOM 983 CD GLU A 65 -12.395 12.039 2.947 1.00 0.00 C ATOM 984 OE1 GLU A 65 -13.266 11.578 3.713 1.00 0.00 O ATOM 985 OE2 GLU A 65 -12.606 12.984 2.158 1.00 0.00 O ATOM 0 H GLU A 65 -8.142 12.259 3.553 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.506 13.449 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.696 10.546 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.222 11.098 5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.345 12.000 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.059 10.415 2.555 1.00 0.00 H new ATOM 992 N GLN A 66 -7.959 12.024 6.322 1.00 0.00 N ATOM 993 CA GLN A 66 -7.308 11.820 7.611 1.00 0.00 C ATOM 994 C GLN A 66 -6.304 12.932 7.895 1.00 0.00 C ATOM 995 O GLN A 66 -5.150 12.883 7.470 1.00 0.00 O ATOM 996 CB GLN A 66 -6.606 10.462 7.642 1.00 0.00 C ATOM 997 CG GLN A 66 -7.459 9.323 7.107 1.00 0.00 C ATOM 998 CD GLN A 66 -8.943 9.560 7.311 1.00 0.00 C ATOM 999 OE1 GLN A 66 -9.717 9.584 6.354 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -9.347 9.735 8.563 1.00 0.00 N ATOM 0 H GLN A 66 -7.384 11.781 5.515 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.075 11.842 8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.688 10.523 7.057 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.315 10.236 8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.259 9.192 6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.172 8.395 7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.670 9.707 9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.334 9.897 8.762 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.751 13.960 8.632 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.907 15.104 8.990 1.00 0.00 C ATOM 1011 C PRO A 67 -4.820 14.730 9.993 1.00 0.00 C ATOM 1012 O PRO A 67 -3.731 15.303 9.984 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.895 16.091 9.616 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.008 15.243 10.126 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.115 14.084 9.173 1.00 0.00 C ATOM 0 HA PRO A 67 -5.373 15.503 8.127 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.430 16.659 10.421 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.252 16.813 8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.803 14.898 11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.941 15.805 10.164 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.430 13.173 9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.844 14.277 8.386 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.123 13.766 10.856 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.161 13.333 11.852 1.00 0.00 C ATOM 1025 C GLY A 68 -3.098 12.421 11.274 1.00 0.00 C ATOM 1026 O GLY A 68 -1.922 12.784 11.213 1.00 0.00 O ATOM 0 H GLY A 68 -6.018 13.277 10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.684 14.207 12.295 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.683 12.813 12.655 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.509 11.231 10.848 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.582 10.262 10.273 1.00 0.00 C ATOM 1032 C LEU A 69 -1.562 10.952 9.373 1.00 0.00 C ATOM 1033 O LEU A 69 -0.390 10.578 9.345 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.349 9.205 9.477 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.023 8.105 10.297 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -4.961 7.286 9.424 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -2.979 7.208 10.947 1.00 0.00 C ATOM 0 H LEU A 69 -4.478 10.914 10.890 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.048 9.777 11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.113 9.709 8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.659 8.736 8.775 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.611 8.576 11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.431 6.508 10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.730 7.936 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.395 6.826 8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.477 6.431 11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.364 6.747 10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.347 7.803 11.606 1.00 0.00 H new ATOM 1049 N SER A 70 -2.016 11.964 8.640 1.00 0.00 N ATOM 1050 CA SER A 70 -1.144 12.706 7.737 1.00 0.00 C ATOM 1051 C SER A 70 0.159 13.089 8.434 1.00 0.00 C ATOM 1052 O SER A 70 1.246 12.886 7.896 1.00 0.00 O ATOM 1053 CB SER A 70 -1.852 13.963 7.228 1.00 0.00 C ATOM 1054 OG SER A 70 -0.963 14.786 6.492 1.00 0.00 O ATOM 0 H SER A 70 -2.983 12.289 8.654 1.00 0.00 H new ATOM 0 HA SER A 70 -0.908 12.063 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.696 13.679 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.257 14.523 8.071 1.00 0.00 H new ATOM 0 HG SER A 70 -1.440 15.582 6.176 1.00 0.00 H new ATOM 1060 N GLY A 71 0.039 13.645 9.636 1.00 0.00 N ATOM 1061 CA GLY A 71 1.213 14.048 10.387 1.00 0.00 C ATOM 1062 C GLY A 71 1.810 12.907 11.186 1.00 0.00 C ATOM 1063 O GLY A 71 3.027 12.827 11.352 1.00 0.00 O ATOM 0 H GLY A 71 -0.850 13.823 10.103 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.964 14.438 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.947 14.861 11.063 1.00 0.00 H new ATOM 1067 N ARG A 72 0.952 12.022 11.683 1.00 0.00 N ATOM 1068 CA ARG A 72 1.402 10.881 12.471 1.00 0.00 C ATOM 1069 C ARG A 72 2.656 10.260 11.863 1.00 0.00 C ATOM 1070 O ARG A 72 3.691 10.152 12.522 1.00 0.00 O ATOM 1071 CB ARG A 72 0.294 9.830 12.566 1.00 0.00 C ATOM 1072 CG ARG A 72 -0.982 10.347 13.208 1.00 0.00 C ATOM 1073 CD ARG A 72 -0.792 10.606 14.695 1.00 0.00 C ATOM 1074 NE ARG A 72 -1.775 11.552 15.215 1.00 0.00 N ATOM 1075 CZ ARG A 72 -1.581 12.290 16.303 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -0.446 12.192 16.981 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -2.524 13.129 16.714 1.00 0.00 N ATOM 0 H ARG A 72 -0.058 12.073 11.554 1.00 0.00 H new ATOM 0 HA ARG A 72 1.643 11.237 13.473 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.065 9.465 11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.660 8.979 13.140 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.292 11.268 12.714 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.783 9.622 13.063 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.871 9.665 15.240 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.212 10.993 14.870 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.659 11.652 14.716 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.281 11.549 16.668 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.300 12.760 17.816 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.398 13.208 16.195 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.374 13.695 17.549 1.00 0.00 H new ATOM 1091 N PHE A 73 2.557 9.854 10.602 1.00 0.00 N ATOM 1092 CA PHE A 73 3.682 9.242 9.904 1.00 0.00 C ATOM 1093 C PHE A 73 4.596 10.308 9.308 1.00 0.00 C ATOM 1094 O PHE A 73 5.206 10.102 8.258 1.00 0.00 O ATOM 1095 CB PHE A 73 3.180 8.309 8.800 1.00 0.00 C ATOM 1096 CG PHE A 73 2.506 7.072 9.322 1.00 0.00 C ATOM 1097 CD1 PHE A 73 1.226 7.134 9.848 1.00 0.00 C ATOM 1098 CD2 PHE A 73 3.153 5.848 9.285 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.605 5.997 10.329 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.537 4.707 9.764 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.260 4.782 10.286 1.00 0.00 C ATOM 0 H PHE A 73 1.709 9.938 10.042 1.00 0.00 H new ATOM 0 HA PHE A 73 4.253 8.661 10.628 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.481 8.853 8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.021 8.017 8.171 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.708 8.081 9.883 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.151 5.784 8.877 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.392 6.059 10.738 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.053 3.759 9.730 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.775 3.892 10.660 1.00 0.00 H new ATOM 1111 N ILE A 74 4.686 11.448 9.984 1.00 0.00 N ATOM 1112 CA ILE A 74 5.526 12.547 9.522 1.00 0.00 C ATOM 1113 C ILE A 74 5.557 12.611 7.999 1.00 0.00 C ATOM 1114 O ILE A 74 6.598 12.886 7.401 1.00 0.00 O ATOM 1115 CB ILE A 74 6.967 12.414 10.049 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.546 11.048 9.675 1.00 0.00 C ATOM 1117 CG2 ILE A 74 7.000 12.615 11.557 1.00 0.00 C ATOM 1118 CD1 ILE A 74 7.032 9.917 10.538 1.00 0.00 C ATOM 0 H ILE A 74 4.188 11.635 10.854 1.00 0.00 H new ATOM 0 HA ILE A 74 5.089 13.466 9.913 1.00 0.00 H new ATOM 0 HB ILE A 74 7.581 13.187 9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.309 10.835 8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.632 11.089 9.753 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.025 12.518 11.915 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.623 13.609 11.800 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.375 11.863 12.038 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.485 8.979 10.216 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.292 10.107 11.579 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.948 9.849 10.441 1.00 0.00 H new ATOM 1130 N ILE A 75 4.410 12.357 7.378 1.00 0.00 N ATOM 1131 CA ILE A 75 4.306 12.389 5.924 1.00 0.00 C ATOM 1132 C ILE A 75 4.601 13.784 5.383 1.00 0.00 C ATOM 1133 O ILE A 75 3.765 14.683 5.467 1.00 0.00 O ATOM 1134 CB ILE A 75 2.908 11.951 5.450 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.580 10.554 5.981 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.831 11.979 3.931 1.00 0.00 C ATOM 1137 CD1 ILE A 75 3.539 9.486 5.503 1.00 0.00 C ATOM 0 H ILE A 75 3.540 12.127 7.858 1.00 0.00 H new ATOM 0 HA ILE A 75 5.047 11.688 5.539 1.00 0.00 H new ATOM 0 HB ILE A 75 2.171 12.651 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.588 10.577 7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.569 10.286 5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.837 11.667 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.026 12.991 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.575 11.299 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.246 8.522 5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.514 9.435 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.549 9.731 5.831 1.00 0.00 H new ATOM 1149 N ASN A 76 5.795 13.956 4.825 1.00 0.00 N ATOM 1150 CA ASN A 76 6.200 15.242 4.268 1.00 0.00 C ATOM 1151 C ASN A 76 6.010 15.262 2.754 1.00 0.00 C ATOM 1152 O ASN A 76 5.658 16.290 2.176 1.00 0.00 O ATOM 1153 CB ASN A 76 7.661 15.533 4.614 1.00 0.00 C ATOM 1154 CG ASN A 76 8.564 14.342 4.360 1.00 0.00 C ATOM 1155 OD1 ASN A 76 9.080 14.164 3.256 1.00 0.00 O ATOM 1156 ND2 ASN A 76 8.760 13.519 5.384 1.00 0.00 N ATOM 0 H ASN A 76 6.499 13.222 4.746 1.00 0.00 H new ATOM 0 HA ASN A 76 5.569 16.015 4.706 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.009 16.381 4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.732 15.822 5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.358 12.700 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.312 13.706 6.281 1.00 0.00 H new ATOM 1163 N ALA A 77 6.245 14.119 2.118 1.00 0.00 N ATOM 1164 CA ALA A 77 6.097 14.005 0.672 1.00 0.00 C ATOM 1165 C ALA A 77 5.202 12.827 0.303 1.00 0.00 C ATOM 1166 O ALA A 77 4.933 11.955 1.131 1.00 0.00 O ATOM 1167 CB ALA A 77 7.461 13.862 0.012 1.00 0.00 C ATOM 0 H ALA A 77 6.539 13.259 2.581 1.00 0.00 H new ATOM 0 HA ALA A 77 5.623 14.916 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.336 13.778 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.069 14.738 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.956 12.968 0.391 1.00 0.00 H new ATOM 1173 N LEU A 78 4.743 12.807 -0.943 1.00 0.00 N ATOM 1174 CA LEU A 78 3.876 11.736 -1.422 1.00 0.00 C ATOM 1175 C LEU A 78 4.188 11.392 -2.875 1.00 0.00 C ATOM 1176 O LEU A 78 4.649 12.228 -3.652 1.00 0.00 O ATOM 1177 CB LEU A 78 2.408 12.141 -1.286 1.00 0.00 C ATOM 1178 CG LEU A 78 1.915 12.413 0.136 1.00 0.00 C ATOM 1179 CD1 LEU A 78 0.805 13.453 0.127 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.437 11.125 0.790 1.00 0.00 C ATOM 0 H LEU A 78 4.957 13.520 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 78 4.060 10.853 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.242 13.037 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.793 11.352 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 78 2.747 12.806 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.467 13.633 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.181 14.383 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.029 13.089 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.090 11.337 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.619 10.703 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.259 10.411 0.831 1.00 0.00 H new ATOM 1192 N PRO A 79 3.930 10.131 -3.253 1.00 0.00 N ATOM 1193 CA PRO A 79 3.383 9.126 -2.337 1.00 0.00 C ATOM 1194 C PRO A 79 4.388 8.704 -1.271 1.00 0.00 C ATOM 1195 O PRO A 79 5.571 9.037 -1.351 1.00 0.00 O ATOM 1196 CB PRO A 79 3.055 7.948 -3.258 1.00 0.00 C ATOM 1197 CG PRO A 79 3.973 8.108 -4.420 1.00 0.00 C ATOM 1198 CD PRO A 79 4.154 9.589 -4.604 1.00 0.00 C ATOM 0 HA PRO A 79 2.524 9.505 -1.783 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.216 6.995 -2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.011 7.970 -3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.929 7.618 -4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.552 7.652 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.151 9.829 -4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.442 9.995 -5.323 1.00 0.00 H new ATOM 1206 N THR A 80 3.911 7.968 -0.272 1.00 0.00 N ATOM 1207 CA THR A 80 4.768 7.502 0.811 1.00 0.00 C ATOM 1208 C THR A 80 4.204 6.240 1.454 1.00 0.00 C ATOM 1209 O THR A 80 3.136 6.269 2.066 1.00 0.00 O ATOM 1210 CB THR A 80 4.943 8.582 1.894 1.00 0.00 C ATOM 1211 OG1 THR A 80 5.752 9.653 1.393 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.586 7.998 3.143 1.00 0.00 C ATOM 0 H THR A 80 2.935 7.682 -0.191 1.00 0.00 H new ATOM 0 HA THR A 80 5.740 7.279 0.371 1.00 0.00 H new ATOM 0 HB THR A 80 3.956 8.964 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.175 10.383 1.086 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.699 8.780 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.954 7.203 3.540 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.566 7.592 2.892 1.00 0.00 H new ATOM 1220 N ILE A 81 4.927 5.135 1.312 1.00 0.00 N ATOM 1221 CA ILE A 81 4.499 3.863 1.881 1.00 0.00 C ATOM 1222 C ILE A 81 5.272 3.543 3.155 1.00 0.00 C ATOM 1223 O ILE A 81 6.482 3.760 3.231 1.00 0.00 O ATOM 1224 CB ILE A 81 4.681 2.708 0.879 1.00 0.00 C ATOM 1225 CG1 ILE A 81 3.908 2.994 -0.410 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.225 1.395 1.496 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.342 2.138 -1.579 1.00 0.00 C ATOM 0 H ILE A 81 5.813 5.095 0.807 1.00 0.00 H new ATOM 0 HA ILE A 81 3.440 3.964 2.117 1.00 0.00 H new ATOM 0 HB ILE A 81 5.740 2.624 0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.845 2.835 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.033 4.044 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.360 0.588 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.816 1.188 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.172 1.467 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.751 2.396 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.397 2.314 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.191 1.086 -1.336 1.00 0.00 H new ATOM 1239 N TYR A 82 4.567 3.024 4.154 1.00 0.00 N ATOM 1240 CA TYR A 82 5.187 2.673 5.426 1.00 0.00 C ATOM 1241 C TYR A 82 4.810 1.255 5.844 1.00 0.00 C ATOM 1242 O TYR A 82 3.630 0.915 5.935 1.00 0.00 O ATOM 1243 CB TYR A 82 4.766 3.665 6.512 1.00 0.00 C ATOM 1244 CG TYR A 82 5.694 4.852 6.640 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.877 4.760 7.363 1.00 0.00 C ATOM 1246 CD2 TYR A 82 5.388 6.066 6.037 1.00 0.00 C ATOM 1247 CE1 TYR A 82 7.727 5.842 7.483 1.00 0.00 C ATOM 1248 CE2 TYR A 82 6.233 7.153 6.150 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.401 7.037 6.874 1.00 0.00 C ATOM 1250 OH TYR A 82 8.245 8.117 6.990 1.00 0.00 O ATOM 0 H TYR A 82 3.565 2.837 4.107 1.00 0.00 H new ATOM 0 HA TYR A 82 6.269 2.719 5.299 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.760 4.023 6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.720 3.145 7.469 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.136 3.826 7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.474 6.161 5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.642 5.754 8.050 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.980 8.089 5.674 1.00 0.00 H new ATOM 0 HH TYR A 82 7.870 8.879 6.502 1.00 0.00 H new ATOM 1260 N HIS A 83 5.822 0.431 6.097 1.00 0.00 N ATOM 1261 CA HIS A 83 5.599 -0.951 6.506 1.00 0.00 C ATOM 1262 C HIS A 83 5.645 -1.082 8.025 1.00 0.00 C ATOM 1263 O HIS A 83 6.655 -0.765 8.655 1.00 0.00 O ATOM 1264 CB HIS A 83 6.644 -1.868 5.871 1.00 0.00 C ATOM 1265 CG HIS A 83 6.563 -3.287 6.345 1.00 0.00 C ATOM 1266 ND1 HIS A 83 7.537 -3.879 7.120 1.00 0.00 N ATOM 1267 CD2 HIS A 83 5.614 -4.232 6.149 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.192 -5.127 7.380 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.029 -5.367 6.803 1.00 0.00 N ATOM 0 H HIS A 83 6.804 0.696 6.026 1.00 0.00 H new ATOM 0 HA HIS A 83 4.608 -1.250 6.163 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.523 -1.848 4.788 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.638 -1.477 6.088 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.701 -4.116 5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.764 -5.832 7.965 1.00 0.00 H new ATOM 0 HE2 HIS A 83 5.521 -6.251 6.837 1.00 0.00 H new ATOM 1278 N CYS A 84 4.547 -1.550 8.608 1.00 0.00 N ATOM 1279 CA CYS A 84 4.462 -1.721 10.054 1.00 0.00 C ATOM 1280 C CYS A 84 4.596 -3.191 10.436 1.00 0.00 C ATOM 1281 O CYS A 84 3.868 -4.045 9.929 1.00 0.00 O ATOM 1282 CB CYS A 84 3.137 -1.164 10.577 1.00 0.00 C ATOM 1283 SG CYS A 84 3.045 -1.048 12.379 1.00 0.00 S ATOM 0 H CYS A 84 3.703 -1.818 8.102 1.00 0.00 H new ATOM 0 HA CYS A 84 5.285 -1.170 10.510 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.978 -0.173 10.151 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.324 -1.797 10.222 1.00 0.00 H new ATOM 0 HG CYS A 84 3.271 0.178 12.747 1.00 0.00 H new ATOM 1289 N LYS A 85 5.533 -3.481 11.333 1.00 0.00 N ATOM 1290 CA LYS A 85 5.765 -4.848 11.784 1.00 0.00 C ATOM 1291 C LYS A 85 5.749 -4.928 13.307 1.00 0.00 C ATOM 1292 O LYS A 85 6.619 -4.370 13.976 1.00 0.00 O ATOM 1293 CB LYS A 85 7.102 -5.363 11.249 1.00 0.00 C ATOM 1294 CG LYS A 85 7.528 -6.691 11.852 1.00 0.00 C ATOM 1295 CD LYS A 85 8.934 -7.073 11.423 1.00 0.00 C ATOM 1296 CE LYS A 85 9.214 -8.547 11.677 1.00 0.00 C ATOM 1297 NZ LYS A 85 8.574 -9.417 10.653 1.00 0.00 N ATOM 0 H LYS A 85 6.144 -2.787 11.762 1.00 0.00 H new ATOM 0 HA LYS A 85 4.961 -5.474 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.033 -5.470 10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.874 -4.619 11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.483 -6.629 12.939 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.829 -7.470 11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.064 -6.854 10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.659 -6.465 11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.291 -8.717 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.848 -8.821 12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.857 -10.405 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.540 -9.337 10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.877 -9.118 9.704 1.00 0.00 H new ATOM 1311 N ASP A 86 4.757 -5.626 13.848 1.00 0.00 N ATOM 1312 CA ASP A 86 4.630 -5.782 15.292 1.00 0.00 C ATOM 1313 C ASP A 86 4.925 -4.467 16.008 1.00 0.00 C ATOM 1314 O ASP A 86 5.588 -4.448 17.044 1.00 0.00 O ATOM 1315 CB ASP A 86 5.577 -6.873 15.794 1.00 0.00 C ATOM 1316 CG ASP A 86 4.997 -8.264 15.628 1.00 0.00 C ATOM 1317 OD1 ASP A 86 3.757 -8.400 15.681 1.00 0.00 O ATOM 1318 OD2 ASP A 86 5.783 -9.217 15.445 1.00 0.00 O ATOM 0 H ASP A 86 4.029 -6.093 13.308 1.00 0.00 H new ATOM 0 HA ASP A 86 3.603 -6.073 15.512 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.520 -6.809 15.252 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.802 -6.699 16.846 1.00 0.00 H new ATOM 1323 N GLY A 87 4.427 -3.369 15.447 1.00 0.00 N ATOM 1324 CA GLY A 87 4.648 -2.065 16.045 1.00 0.00 C ATOM 1325 C GLY A 87 5.698 -1.260 15.306 1.00 0.00 C ATOM 1326 O GLY A 87 5.512 -0.070 15.053 1.00 0.00 O ATOM 0 H GLY A 87 3.875 -3.359 14.589 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.710 -1.510 16.056 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.956 -2.192 17.083 1.00 0.00 H new ATOM 1330 N GLU A 88 6.806 -1.909 14.963 1.00 0.00 N ATOM 1331 CA GLU A 88 7.891 -1.243 14.251 1.00 0.00 C ATOM 1332 C GLU A 88 7.385 -0.604 12.961 1.00 0.00 C ATOM 1333 O GLU A 88 6.326 -0.969 12.448 1.00 0.00 O ATOM 1334 CB GLU A 88 9.010 -2.238 13.935 1.00 0.00 C ATOM 1335 CG GLU A 88 9.733 -2.753 15.168 1.00 0.00 C ATOM 1336 CD GLU A 88 10.587 -3.972 14.878 1.00 0.00 C ATOM 1337 OE1 GLU A 88 10.049 -4.956 14.328 1.00 0.00 O ATOM 1338 OE2 GLU A 88 11.793 -3.942 15.200 1.00 0.00 O ATOM 0 H GLU A 88 6.976 -2.894 15.166 1.00 0.00 H new ATOM 0 HA GLU A 88 8.284 -0.457 14.895 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.590 -3.084 13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.733 -1.761 13.273 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.363 -1.961 15.572 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.001 -3.002 15.936 1.00 0.00 H new ATOM 1345 N PHE A 89 8.147 0.352 12.442 1.00 0.00 N ATOM 1346 CA PHE A 89 7.776 1.044 11.214 1.00 0.00 C ATOM 1347 C PHE A 89 8.996 1.267 10.325 1.00 0.00 C ATOM 1348 O PHE A 89 10.074 1.613 10.808 1.00 0.00 O ATOM 1349 CB PHE A 89 7.116 2.386 11.538 1.00 0.00 C ATOM 1350 CG PHE A 89 5.720 2.252 12.078 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.631 2.234 11.221 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.498 2.146 13.441 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.346 2.111 11.714 1.00 0.00 C ATOM 1354 CE2 PHE A 89 4.215 2.022 13.940 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.137 2.006 13.076 1.00 0.00 C ATOM 0 H PHE A 89 9.026 0.666 12.853 1.00 0.00 H new ATOM 0 HA PHE A 89 7.065 0.418 10.675 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.729 2.917 12.266 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.091 2.997 10.636 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.788 2.317 10.156 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.337 2.160 14.121 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.506 2.097 11.036 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.055 1.938 15.005 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.134 1.912 13.464 1.00 0.00 H new ATOM 1365 N ARG A 90 8.817 1.064 9.023 1.00 0.00 N ATOM 1366 CA ARG A 90 9.903 1.241 8.067 1.00 0.00 C ATOM 1367 C ARG A 90 9.378 1.794 6.745 1.00 0.00 C ATOM 1368 O ARG A 90 8.525 1.184 6.101 1.00 0.00 O ATOM 1369 CB ARG A 90 10.621 -0.089 7.826 1.00 0.00 C ATOM 1370 CG ARG A 90 11.575 -0.476 8.944 1.00 0.00 C ATOM 1371 CD ARG A 90 12.366 -1.727 8.593 1.00 0.00 C ATOM 1372 NE ARG A 90 13.241 -2.146 9.684 1.00 0.00 N ATOM 1373 CZ ARG A 90 12.799 -2.687 10.814 1.00 0.00 C ATOM 1374 NH1 ARG A 90 11.500 -2.874 11.000 1.00 0.00 N ATOM 1375 NH2 ARG A 90 13.658 -3.042 11.761 1.00 0.00 N ATOM 0 H ARG A 90 7.931 0.777 8.607 1.00 0.00 H new ATOM 0 HA ARG A 90 10.610 1.957 8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.878 -0.877 7.705 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.177 -0.028 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.262 0.347 9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.012 -0.646 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.676 -2.536 8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.964 -1.539 7.701 1.00 0.00 H new ATOM 0 HE ARG A 90 14.247 -2.016 9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.837 -2.602 10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.164 -3.290 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.658 -2.900 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.318 -3.457 12.628 1.00 0.00 H new ATOM 1389 N ARG A 91 9.895 2.952 6.347 1.00 0.00 N ATOM 1390 CA ARG A 91 9.477 3.588 5.104 1.00 0.00 C ATOM 1391 C ARG A 91 9.871 2.738 3.899 1.00 0.00 C ATOM 1392 O ARG A 91 10.925 2.101 3.894 1.00 0.00 O ATOM 1393 CB ARG A 91 10.100 4.981 4.984 1.00 0.00 C ATOM 1394 CG ARG A 91 9.859 5.642 3.637 1.00 0.00 C ATOM 1395 CD ARG A 91 9.818 7.157 3.759 1.00 0.00 C ATOM 1396 NE ARG A 91 10.277 7.817 2.540 1.00 0.00 N ATOM 1397 CZ ARG A 91 9.579 7.840 1.409 1.00 0.00 C ATOM 1398 NH1 ARG A 91 8.397 7.243 1.344 1.00 0.00 N ATOM 1399 NH2 ARG A 91 10.064 8.461 0.342 1.00 0.00 N ATOM 0 H ARG A 91 10.604 3.469 6.868 1.00 0.00 H new ATOM 0 HA ARG A 91 8.391 3.683 5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.696 5.619 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.174 4.905 5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.648 5.353 2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.919 5.284 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.800 7.475 3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.441 7.470 4.597 1.00 0.00 H new ATOM 0 HE ARG A 91 11.183 8.286 2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.021 6.765 2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.863 7.262 0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.973 8.921 0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.528 8.478 -0.526 1.00 0.00 H new ATOM 1413 N TYR A 92 9.018 2.733 2.881 1.00 0.00 N ATOM 1414 CA TYR A 92 9.275 1.959 1.673 1.00 0.00 C ATOM 1415 C TYR A 92 10.321 2.645 0.799 1.00 0.00 C ATOM 1416 O TYR A 92 10.176 3.813 0.439 1.00 0.00 O ATOM 1417 CB TYR A 92 7.981 1.766 0.881 1.00 0.00 C ATOM 1418 CG TYR A 92 8.077 0.697 -0.185 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.071 -0.651 0.153 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.172 1.035 -1.529 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.159 -1.630 -0.817 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.259 0.062 -2.506 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.253 -1.269 -2.145 1.00 0.00 C ATOM 1424 OH TYR A 92 8.340 -2.242 -3.114 1.00 0.00 O ATOM 0 H TYR A 92 8.143 3.256 2.868 1.00 0.00 H new ATOM 0 HA TYR A 92 9.660 0.984 1.972 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.178 1.508 1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.707 2.711 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.996 -0.938 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.178 2.076 -1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 92 8.154 -2.673 -0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.331 0.342 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 92 7.441 -2.558 -3.342 1.00 0.00 H new ATOM 1434 N GLN A 93 11.376 1.909 0.462 1.00 0.00 N ATOM 1435 CA GLN A 93 12.447 2.446 -0.369 1.00 0.00 C ATOM 1436 C GLN A 93 12.564 1.667 -1.675 1.00 0.00 C ATOM 1437 O GLN A 93 13.540 0.953 -1.899 1.00 0.00 O ATOM 1438 CB GLN A 93 13.777 2.402 0.385 1.00 0.00 C ATOM 1439 CG GLN A 93 13.783 3.233 1.658 1.00 0.00 C ATOM 1440 CD GLN A 93 15.184 3.517 2.163 1.00 0.00 C ATOM 1441 OE1 GLN A 93 15.911 2.605 2.556 1.00 0.00 O ATOM 1442 NE2 GLN A 93 15.569 4.788 2.157 1.00 0.00 N ATOM 0 H GLN A 93 11.512 0.940 0.751 1.00 0.00 H new ATOM 0 HA GLN A 93 12.205 3.482 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.009 1.367 0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.570 2.756 -0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.269 4.176 1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.221 2.710 2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.933 5.512 1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.501 5.040 2.487 1.00 0.00 H new ATOM 1451 N GLY A 94 11.561 1.811 -2.536 1.00 0.00 N ATOM 1452 CA GLY A 94 11.570 1.115 -3.810 1.00 0.00 C ATOM 1453 C GLY A 94 10.783 1.849 -4.877 1.00 0.00 C ATOM 1454 O GLY A 94 10.170 2.887 -4.624 1.00 0.00 O ATOM 0 H GLY A 94 10.742 2.397 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.600 0.989 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.153 0.116 -3.678 1.00 0.00 H new ATOM 1458 N PRO A 95 10.795 1.307 -6.104 1.00 0.00 N ATOM 1459 CA PRO A 95 10.083 1.902 -7.239 1.00 0.00 C ATOM 1460 C PRO A 95 8.569 1.789 -7.097 1.00 0.00 C ATOM 1461 O PRO A 95 7.819 2.244 -7.961 1.00 0.00 O ATOM 1462 CB PRO A 95 10.571 1.080 -8.434 1.00 0.00 C ATOM 1463 CG PRO A 95 10.976 -0.231 -7.852 1.00 0.00 C ATOM 1464 CD PRO A 95 11.504 0.072 -6.478 1.00 0.00 C ATOM 0 HA PRO A 95 10.281 2.970 -7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.784 0.957 -9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.408 1.567 -8.934 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.128 -0.915 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.738 -0.712 -8.466 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.295 -0.738 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.584 0.216 -6.485 1.00 0.00 H new ATOM 1472 N ARG A 96 8.126 1.179 -6.002 1.00 0.00 N ATOM 1473 CA ARG A 96 6.701 1.006 -5.747 1.00 0.00 C ATOM 1474 C ARG A 96 6.044 0.196 -6.861 1.00 0.00 C ATOM 1475 O ARG A 96 4.956 0.532 -7.330 1.00 0.00 O ATOM 1476 CB ARG A 96 6.014 2.367 -5.619 1.00 0.00 C ATOM 1477 CG ARG A 96 6.708 3.310 -4.650 1.00 0.00 C ATOM 1478 CD ARG A 96 5.826 4.498 -4.301 1.00 0.00 C ATOM 1479 NE ARG A 96 6.485 5.417 -3.376 1.00 0.00 N ATOM 1480 CZ ARG A 96 7.321 6.373 -3.762 1.00 0.00 C ATOM 1481 NH1 ARG A 96 7.599 6.536 -5.049 1.00 0.00 N ATOM 1482 NH2 ARG A 96 7.882 7.170 -2.861 1.00 0.00 N ATOM 0 H ARG A 96 8.734 0.796 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 96 6.589 0.461 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.971 2.837 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.985 2.216 -5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.970 2.770 -3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.640 3.664 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.559 5.032 -5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.897 4.141 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 96 6.292 5.319 -2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.170 5.926 -5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.242 7.271 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.671 7.048 -1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.524 7.904 -3.159 1.00 0.00 H new ATOM 1496 N THR A 97 6.713 -0.873 -7.282 1.00 0.00 N ATOM 1497 CA THR A 97 6.197 -1.730 -8.342 1.00 0.00 C ATOM 1498 C THR A 97 5.725 -3.069 -7.786 1.00 0.00 C ATOM 1499 O THR A 97 6.275 -3.575 -6.808 1.00 0.00 O ATOM 1500 CB THR A 97 7.259 -1.983 -9.428 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.503 -2.352 -8.820 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.458 -0.746 -10.290 1.00 0.00 C ATOM 0 H THR A 97 7.614 -1.166 -6.904 1.00 0.00 H new ATOM 0 HA THR A 97 5.351 -1.206 -8.788 1.00 0.00 H new ATOM 0 HB THR A 97 6.910 -2.797 -10.064 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.906 -3.092 -9.321 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.213 -0.949 -11.050 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.517 -0.485 -10.774 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.787 0.084 -9.665 1.00 0.00 H new ATOM 1510 N LYS A 98 4.704 -3.639 -8.416 1.00 0.00 N ATOM 1511 CA LYS A 98 4.158 -4.921 -7.986 1.00 0.00 C ATOM 1512 C LYS A 98 5.276 -5.893 -7.623 1.00 0.00 C ATOM 1513 O LYS A 98 5.429 -6.275 -6.463 1.00 0.00 O ATOM 1514 CB LYS A 98 3.282 -5.521 -9.088 1.00 0.00 C ATOM 1515 CG LYS A 98 2.189 -6.436 -8.564 1.00 0.00 C ATOM 1516 CD LYS A 98 1.672 -7.365 -9.651 1.00 0.00 C ATOM 1517 CE LYS A 98 2.458 -8.665 -9.693 1.00 0.00 C ATOM 1518 NZ LYS A 98 1.758 -9.711 -10.489 1.00 0.00 N ATOM 0 H LYS A 98 4.237 -3.233 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 98 3.548 -4.750 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.825 -4.712 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.913 -6.081 -9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.574 -7.026 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.366 -5.836 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.618 -7.581 -9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.738 -6.867 -10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.443 -8.480 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.616 -9.027 -8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.326 -10.582 -10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.829 -9.906 -10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.630 -9.376 -11.465 1.00 0.00 H new ATOM 1532 N LYS A 99 6.056 -6.290 -8.623 1.00 0.00 N ATOM 1533 CA LYS A 99 7.162 -7.216 -8.410 1.00 0.00 C ATOM 1534 C LYS A 99 7.957 -6.837 -7.164 1.00 0.00 C ATOM 1535 O LYS A 99 8.001 -7.591 -6.192 1.00 0.00 O ATOM 1536 CB LYS A 99 8.084 -7.230 -9.631 1.00 0.00 C ATOM 1537 CG LYS A 99 9.377 -7.996 -9.408 1.00 0.00 C ATOM 1538 CD LYS A 99 10.519 -7.412 -10.223 1.00 0.00 C ATOM 1539 CE LYS A 99 11.273 -6.347 -9.442 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.584 -6.022 -10.070 1.00 0.00 N ATOM 0 H LYS A 99 5.942 -5.985 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 99 6.746 -8.213 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.551 -7.671 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.323 -6.203 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.636 -7.974 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.233 -9.042 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.206 -8.208 -10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.127 -6.980 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.666 -5.444 -9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.435 -6.692 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.067 -5.292 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.174 -6.878 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.428 -5.668 -11.036 1.00 0.00 H new ATOM 1554 N ASP A 100 8.581 -5.665 -7.200 1.00 0.00 N ATOM 1555 CA ASP A 100 9.372 -5.185 -6.073 1.00 0.00 C ATOM 1556 C ASP A 100 8.689 -5.516 -4.750 1.00 0.00 C ATOM 1557 O ASP A 100 9.239 -6.239 -3.919 1.00 0.00 O ATOM 1558 CB ASP A 100 9.593 -3.676 -6.183 1.00 0.00 C ATOM 1559 CG ASP A 100 10.780 -3.327 -7.060 1.00 0.00 C ATOM 1560 OD1 ASP A 100 10.666 -3.465 -8.296 1.00 0.00 O ATOM 1561 OD2 ASP A 100 11.823 -2.916 -6.510 1.00 0.00 O ATOM 0 H ASP A 100 8.554 -5.030 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 100 10.338 -5.689 -6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.696 -3.209 -6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.746 -3.261 -5.187 1.00 0.00 H new ATOM 1566 N PHE A 101 7.487 -4.982 -4.560 1.00 0.00 N ATOM 1567 CA PHE A 101 6.729 -5.219 -3.337 1.00 0.00 C ATOM 1568 C PHE A 101 6.938 -6.644 -2.836 1.00 0.00 C ATOM 1569 O PHE A 101 7.486 -6.859 -1.754 1.00 0.00 O ATOM 1570 CB PHE A 101 5.240 -4.963 -3.578 1.00 0.00 C ATOM 1571 CG PHE A 101 4.878 -3.506 -3.609 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.198 -2.677 -2.545 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.220 -2.965 -4.701 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.866 -1.335 -2.571 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.886 -1.624 -4.733 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.210 -0.808 -3.667 1.00 0.00 C ATOM 0 H PHE A 101 7.017 -4.382 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 101 7.090 -4.529 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.949 -5.421 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.664 -5.455 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.712 -3.084 -1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.965 -3.598 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.119 -0.699 -1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.372 -1.215 -5.590 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.951 0.240 -3.690 1.00 0.00 H new ATOM 1586 N ILE A 102 6.497 -7.615 -3.629 1.00 0.00 N ATOM 1587 CA ILE A 102 6.635 -9.020 -3.266 1.00 0.00 C ATOM 1588 C ILE A 102 7.917 -9.259 -2.476 1.00 0.00 C ATOM 1589 O ILE A 102 7.876 -9.638 -1.306 1.00 0.00 O ATOM 1590 CB ILE A 102 6.636 -9.925 -4.512 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.211 -10.109 -5.037 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.264 -11.272 -4.187 1.00 0.00 C ATOM 1593 CD1 ILE A 102 4.832 -9.120 -6.117 1.00 0.00 C ATOM 0 H ILE A 102 6.041 -7.454 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 102 5.776 -9.272 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 102 7.231 -9.446 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.105 -11.121 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.511 -10.013 -4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.258 -11.901 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.292 -11.124 -3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.693 -11.758 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.809 -9.310 -6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.906 -8.106 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.508 -9.230 -6.965 1.00 0.00 H new ATOM 1605 N ASN A 103 9.056 -9.034 -3.124 1.00 0.00 N ATOM 1606 CA ASN A 103 10.351 -9.225 -2.481 1.00 0.00 C ATOM 1607 C ASN A 103 10.409 -8.490 -1.145 1.00 0.00 C ATOM 1608 O ASN A 103 10.760 -9.073 -0.119 1.00 0.00 O ATOM 1609 CB ASN A 103 11.475 -8.732 -3.396 1.00 0.00 C ATOM 1610 CG ASN A 103 11.332 -9.246 -4.815 1.00 0.00 C ATOM 1611 OD1 ASN A 103 10.863 -10.363 -5.039 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.737 -8.432 -5.783 1.00 0.00 N ATOM 0 H ASN A 103 9.108 -8.720 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 103 10.483 -10.291 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.480 -7.642 -3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.436 -9.052 -2.992 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.666 -8.724 -6.758 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.119 -7.515 -5.552 1.00 0.00 H new ATOM 1619 N PHE A 104 10.062 -7.208 -1.166 1.00 0.00 N ATOM 1620 CA PHE A 104 10.074 -6.393 0.043 1.00 0.00 C ATOM 1621 C PHE A 104 9.366 -7.109 1.189 1.00 0.00 C ATOM 1622 O PHE A 104 9.685 -6.897 2.359 1.00 0.00 O ATOM 1623 CB PHE A 104 9.405 -5.042 -0.220 1.00 0.00 C ATOM 1624 CG PHE A 104 9.271 -4.190 1.010 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.369 -3.527 1.533 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.046 -4.053 1.643 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.249 -2.742 2.665 1.00 0.00 C ATOM 1628 CE2 PHE A 104 7.919 -3.269 2.774 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.022 -2.614 3.286 1.00 0.00 C ATOM 0 H PHE A 104 9.769 -6.711 -2.007 1.00 0.00 H new ATOM 0 HA PHE A 104 11.113 -6.227 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.983 -4.499 -0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.415 -5.212 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.330 -3.624 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.181 -4.565 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.113 -2.230 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.958 -3.169 3.257 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.925 -2.002 4.171 1.00 0.00 H new ATOM 1639 N ILE A 105 8.404 -7.957 0.844 1.00 0.00 N ATOM 1640 CA ILE A 105 7.651 -8.706 1.843 1.00 0.00 C ATOM 1641 C ILE A 105 8.299 -10.058 2.121 1.00 0.00 C ATOM 1642 O ILE A 105 8.719 -10.337 3.244 1.00 0.00 O ATOM 1643 CB ILE A 105 6.193 -8.929 1.398 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.469 -7.589 1.255 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.468 -9.826 2.391 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.463 -6.767 2.525 1.00 0.00 C ATOM 0 H ILE A 105 8.127 -8.143 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 105 7.657 -8.109 2.755 1.00 0.00 H new ATOM 0 HB ILE A 105 6.197 -9.423 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.943 -7.012 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.440 -7.772 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.439 -9.974 2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.974 -10.790 2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.471 -9.357 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.933 -5.831 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.963 -7.325 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.489 -6.553 2.824 1.00 0.00 H new ATOM 1658 N SER A 106 8.378 -10.893 1.090 1.00 0.00 N ATOM 1659 CA SER A 106 8.973 -12.217 1.223 1.00 0.00 C ATOM 1660 C SER A 106 10.434 -12.116 1.652 1.00 0.00 C ATOM 1661 O SER A 106 10.847 -12.726 2.639 1.00 0.00 O ATOM 1662 CB SER A 106 8.870 -12.982 -0.098 1.00 0.00 C ATOM 1663 OG SER A 106 9.148 -14.359 0.087 1.00 0.00 O ATOM 0 H SER A 106 8.037 -10.676 0.153 1.00 0.00 H new ATOM 0 HA SER A 106 8.423 -12.759 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.870 -12.862 -0.514 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.568 -12.561 -0.821 1.00 0.00 H new ATOM 0 HG SER A 106 9.074 -14.826 -0.771 1.00 0.00 H new ATOM 1669 N ASP A 107 11.211 -11.340 0.904 1.00 0.00 N ATOM 1670 CA ASP A 107 12.626 -11.156 1.206 1.00 0.00 C ATOM 1671 C ASP A 107 12.812 -10.183 2.366 1.00 0.00 C ATOM 1672 O ASP A 107 13.933 -9.789 2.686 1.00 0.00 O ATOM 1673 CB ASP A 107 13.370 -10.646 -0.028 1.00 0.00 C ATOM 1674 CG ASP A 107 13.615 -11.739 -1.050 1.00 0.00 C ATOM 1675 OD1 ASP A 107 12.807 -12.690 -1.107 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.613 -11.642 -1.793 1.00 0.00 O ATOM 0 H ASP A 107 10.885 -10.828 0.084 1.00 0.00 H new ATOM 0 HA ASP A 107 13.039 -12.122 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.795 -9.844 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.325 -10.218 0.278 1.00 0.00 H new ATOM 1681 N LYS A 108 11.705 -9.800 2.993 1.00 0.00 N ATOM 1682 CA LYS A 108 11.744 -8.873 4.118 1.00 0.00 C ATOM 1683 C LYS A 108 12.843 -7.833 3.928 1.00 0.00 C ATOM 1684 O LYS A 108 13.564 -7.500 4.868 1.00 0.00 O ATOM 1685 CB LYS A 108 11.970 -9.635 5.426 1.00 0.00 C ATOM 1686 CG LYS A 108 10.952 -10.735 5.672 1.00 0.00 C ATOM 1687 CD LYS A 108 11.302 -11.553 6.904 1.00 0.00 C ATOM 1688 CE LYS A 108 10.387 -12.760 7.050 1.00 0.00 C ATOM 1689 NZ LYS A 108 11.013 -13.835 7.868 1.00 0.00 N ATOM 0 H LYS A 108 10.769 -10.117 2.741 1.00 0.00 H new ATOM 0 HA LYS A 108 10.784 -8.358 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.969 -10.072 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.939 -8.931 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.962 -10.295 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.904 -11.389 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.338 -11.886 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.224 -10.926 7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.450 -12.451 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.142 -13.151 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.358 -14.639 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.895 -14.148 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.224 -13.470 8.819 1.00 0.00 H new ATOM 1703 N GLU A 109 12.964 -7.322 2.706 1.00 0.00 N ATOM 1704 CA GLU A 109 13.975 -6.319 2.395 1.00 0.00 C ATOM 1705 C GLU A 109 13.964 -5.196 3.427 1.00 0.00 C ATOM 1706 O GLU A 109 14.973 -4.524 3.640 1.00 0.00 O ATOM 1707 CB GLU A 109 13.741 -5.744 0.996 1.00 0.00 C ATOM 1708 CG GLU A 109 13.822 -6.781 -0.110 1.00 0.00 C ATOM 1709 CD GLU A 109 13.827 -6.160 -1.494 1.00 0.00 C ATOM 1710 OE1 GLU A 109 13.215 -5.084 -1.662 1.00 0.00 O ATOM 1711 OE2 GLU A 109 14.441 -6.749 -2.407 1.00 0.00 O ATOM 0 H GLU A 109 12.375 -7.586 1.917 1.00 0.00 H new ATOM 0 HA GLU A 109 14.951 -6.804 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.760 -5.270 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.478 -4.964 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.726 -7.376 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.976 -7.464 -0.025 1.00 0.00 H new ATOM 1718 N TRP A 110 12.815 -4.998 4.065 1.00 0.00 N ATOM 1719 CA TRP A 110 12.672 -3.956 5.075 1.00 0.00 C ATOM 1720 C TRP A 110 13.776 -4.056 6.121 1.00 0.00 C ATOM 1721 O TRP A 110 14.181 -3.053 6.709 1.00 0.00 O ATOM 1722 CB TRP A 110 11.302 -4.057 5.749 1.00 0.00 C ATOM 1723 CG TRP A 110 11.017 -5.415 6.315 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.242 -6.390 5.756 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.503 -5.947 7.553 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.216 -7.496 6.570 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.983 -7.250 7.679 1.00 0.00 C ATOM 1728 CE3 TRP A 110 12.329 -5.450 8.565 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.262 -8.059 8.777 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.604 -6.255 9.654 1.00 0.00 C ATOM 1731 CH2 TRP A 110 12.072 -7.547 9.753 1.00 0.00 C ATOM 0 H TRP A 110 11.970 -5.545 3.901 1.00 0.00 H new ATOM 0 HA TRP A 110 12.755 -2.989 4.579 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.243 -3.318 6.548 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.529 -3.804 5.024 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.725 -6.304 4.812 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.708 -8.360 6.380 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.745 -4.455 8.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.853 -9.056 8.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 13.240 -5.881 10.443 1.00 0.00 H new ATOM 0 HH2 TRP A 110 12.306 -8.151 10.617 1.00 0.00 H new ATOM 1742 N LYS A 111 14.261 -5.272 6.349 1.00 0.00 N ATOM 1743 CA LYS A 111 15.320 -5.503 7.324 1.00 0.00 C ATOM 1744 C LYS A 111 16.532 -4.624 7.030 1.00 0.00 C ATOM 1745 O LYS A 111 17.289 -4.272 7.934 1.00 0.00 O ATOM 1746 CB LYS A 111 15.733 -6.977 7.319 1.00 0.00 C ATOM 1747 CG LYS A 111 14.723 -7.894 7.986 1.00 0.00 C ATOM 1748 CD LYS A 111 15.028 -9.356 7.707 1.00 0.00 C ATOM 1749 CE LYS A 111 14.143 -10.277 8.533 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.658 -11.674 8.548 1.00 0.00 N ATOM 0 H LYS A 111 13.937 -6.113 5.871 1.00 0.00 H new ATOM 0 HA LYS A 111 14.935 -5.243 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.880 -7.301 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.693 -7.078 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.727 -7.720 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.722 -7.656 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.882 -9.563 6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.075 -9.559 7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.081 -9.902 9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.131 -10.267 8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.027 -12.270 9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.693 -12.042 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.614 -11.687 8.958 1.00 0.00 H new ATOM 1764 N SER A 112 16.707 -4.271 5.760 1.00 0.00 N ATOM 1765 CA SER A 112 17.828 -3.435 5.347 1.00 0.00 C ATOM 1766 C SER A 112 17.422 -1.964 5.305 1.00 0.00 C ATOM 1767 O SER A 112 18.064 -1.151 4.641 1.00 0.00 O ATOM 1768 CB SER A 112 18.340 -3.873 3.974 1.00 0.00 C ATOM 1769 OG SER A 112 19.296 -4.913 4.095 1.00 0.00 O ATOM 0 H SER A 112 16.087 -4.551 5.000 1.00 0.00 H new ATOM 0 HA SER A 112 18.627 -3.553 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.504 -4.212 3.362 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.787 -3.022 3.460 1.00 0.00 H new ATOM 0 HG SER A 112 19.607 -5.177 3.204 1.00 0.00 H new ATOM 1775 N ILE A 113 16.351 -1.632 6.018 1.00 0.00 N ATOM 1776 CA ILE A 113 15.859 -0.261 6.063 1.00 0.00 C ATOM 1777 C ILE A 113 15.836 0.268 7.494 1.00 0.00 C ATOM 1778 O ILE A 113 15.554 -0.474 8.435 1.00 0.00 O ATOM 1779 CB ILE A 113 14.445 -0.150 5.464 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.474 -0.478 3.970 1.00 0.00 C ATOM 1781 CG2 ILE A 113 13.880 1.243 5.695 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.130 -0.330 3.292 1.00 0.00 C ATOM 0 H ILE A 113 15.808 -2.294 6.572 1.00 0.00 H new ATOM 0 HA ILE A 113 16.545 0.340 5.467 1.00 0.00 H new ATOM 0 HB ILE A 113 13.797 -0.871 5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.194 0.175 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 113 14.828 -1.500 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.880 1.306 5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 113 13.829 1.442 6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 113 14.526 1.981 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.226 -0.579 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.411 -1.003 3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.783 0.698 3.393 1.00 0.00 H new