USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 59 SER OG : rot 180:sc=-9.06e-05 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 160:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 153:sc=-0.00558 (180deg=-0.781) USER MOD Single : A 78 THR OG1 : rot 157:sc= 1.01 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PHE A 38 -1.482 -27.458 2.326 1.00 0.00 N ATOM 88 CA PHE A 38 -2.522 -26.571 2.860 1.00 0.00 C ATOM 89 C PHE A 38 -1.986 -25.536 3.874 1.00 0.00 C ATOM 90 O PHE A 38 -2.644 -24.524 4.106 1.00 0.00 O ATOM 91 CB PHE A 38 -3.653 -27.422 3.467 1.00 0.00 C ATOM 92 CG PHE A 38 -4.502 -28.174 2.449 1.00 0.00 C ATOM 93 CD1 PHE A 38 -3.989 -29.297 1.767 1.00 0.00 C ATOM 94 CD2 PHE A 38 -5.821 -27.751 2.180 1.00 0.00 C ATOM 95 CE1 PHE A 38 -4.771 -29.974 0.815 1.00 0.00 C ATOM 96 CE2 PHE A 38 -6.608 -28.436 1.236 1.00 0.00 C ATOM 97 CZ PHE A 38 -6.083 -29.545 0.549 1.00 0.00 C ATOM 0 HA PHE A 38 -2.911 -25.982 2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.216 -28.143 4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.303 -26.772 4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.987 -29.640 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.228 -26.897 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.364 -30.824 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.618 -28.109 1.038 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.686 -30.065 -0.181 1.00 0.00 H new ATOM 107 N ASP A 39 -0.787 -25.742 4.436 1.00 0.00 N ATOM 108 CA ASP A 39 -0.117 -24.844 5.385 1.00 0.00 C ATOM 109 C ASP A 39 -0.038 -23.392 4.876 1.00 0.00 C ATOM 110 O ASP A 39 -0.326 -22.459 5.629 1.00 0.00 O ATOM 111 CB ASP A 39 1.300 -25.373 5.692 1.00 0.00 C ATOM 112 CG ASP A 39 1.344 -26.667 6.521 1.00 0.00 C ATOM 113 OD1 ASP A 39 0.429 -27.504 6.345 1.00 0.00 O ATOM 114 OD2 ASP A 39 2.302 -26.801 7.320 1.00 0.00 O ATOM 0 H ASP A 39 -0.234 -26.575 4.233 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.717 -24.830 6.295 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.820 -25.545 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.853 -24.599 6.224 1.00 0.00 H new ATOM 119 N GLU A 40 0.301 -23.200 3.593 1.00 0.00 N ATOM 120 CA GLU A 40 0.339 -21.882 2.941 1.00 0.00 C ATOM 121 C GLU A 40 -1.018 -21.161 3.008 1.00 0.00 C ATOM 122 O GLU A 40 -1.072 -19.982 3.363 1.00 0.00 O ATOM 123 CB GLU A 40 0.851 -22.025 1.495 1.00 0.00 C ATOM 124 CG GLU A 40 -0.075 -22.832 0.561 1.00 0.00 C ATOM 125 CD GLU A 40 -0.905 -21.999 -0.424 1.00 0.00 C ATOM 126 OE1 GLU A 40 -1.275 -20.862 -0.061 1.00 0.00 O ATOM 127 OE2 GLU A 40 -1.191 -22.530 -1.522 1.00 0.00 O ATOM 0 H GLU A 40 0.560 -23.965 2.971 1.00 0.00 H new ATOM 0 HA GLU A 40 1.038 -21.251 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.992 -21.030 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.830 -22.504 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.534 -23.535 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.756 -23.423 1.174 1.00 0.00 H new ATOM 134 N LEU A 41 -2.115 -21.894 2.755 1.00 0.00 N ATOM 135 CA LEU A 41 -3.482 -21.380 2.794 1.00 0.00 C ATOM 136 C LEU A 41 -3.852 -20.987 4.220 1.00 0.00 C ATOM 137 O LEU A 41 -4.362 -19.892 4.457 1.00 0.00 O ATOM 138 CB LEU A 41 -4.491 -22.421 2.269 1.00 0.00 C ATOM 139 CG LEU A 41 -4.299 -22.879 0.812 1.00 0.00 C ATOM 140 CD1 LEU A 41 -5.272 -24.022 0.488 1.00 0.00 C ATOM 141 CD2 LEU A 41 -4.552 -21.737 -0.177 1.00 0.00 C ATOM 0 H LEU A 41 -2.068 -22.884 2.512 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.526 -20.504 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.444 -23.299 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.494 -22.006 2.368 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.266 -23.213 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.129 -24.340 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.082 -24.862 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.297 -23.677 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.407 -22.098 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.574 -21.376 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.855 -20.923 0.022 1.00 0.00 H new ATOM 153 N GLN A 42 -3.571 -21.870 5.186 1.00 0.00 N ATOM 154 CA GLN A 42 -3.802 -21.554 6.593 1.00 0.00 C ATOM 155 C GLN A 42 -3.031 -20.293 6.998 1.00 0.00 C ATOM 156 O GLN A 42 -3.606 -19.421 7.646 1.00 0.00 O ATOM 157 CB GLN A 42 -3.454 -22.735 7.508 1.00 0.00 C ATOM 158 CG GLN A 42 -4.201 -24.028 7.139 1.00 0.00 C ATOM 159 CD GLN A 42 -4.451 -24.912 8.356 1.00 0.00 C ATOM 160 OE1 GLN A 42 -5.581 -25.220 8.699 1.00 0.00 O ATOM 161 NE2 GLN A 42 -3.416 -25.332 9.059 1.00 0.00 N ATOM 0 H GLN A 42 -3.187 -22.800 5.017 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.867 -21.358 6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.380 -22.918 7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.688 -22.469 8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.153 -23.776 6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.622 -24.583 6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.470 -25.077 8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.562 -25.912 9.885 1.00 0.00 H new ATOM 170 N GLY A 43 -1.773 -20.149 6.560 1.00 0.00 N ATOM 171 CA GLY A 43 -0.964 -18.952 6.773 1.00 0.00 C ATOM 172 C GLY A 43 -1.561 -17.689 6.142 1.00 0.00 C ATOM 173 O GLY A 43 -1.685 -16.673 6.829 1.00 0.00 O ATOM 0 H GLY A 43 -1.285 -20.877 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.843 -18.791 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.032 -19.118 6.361 1.00 0.00 H new ATOM 177 N LEU A 44 -1.954 -17.738 4.860 1.00 0.00 N ATOM 178 CA LEU A 44 -2.537 -16.578 4.174 1.00 0.00 C ATOM 179 C LEU A 44 -3.803 -16.068 4.889 1.00 0.00 C ATOM 180 O LEU A 44 -4.014 -14.856 5.008 1.00 0.00 O ATOM 181 CB LEU A 44 -2.718 -16.855 2.659 1.00 0.00 C ATOM 182 CG LEU A 44 -4.099 -17.375 2.196 1.00 0.00 C ATOM 183 CD1 LEU A 44 -5.113 -16.246 1.973 1.00 0.00 C ATOM 184 CD2 LEU A 44 -4.031 -18.181 0.899 1.00 0.00 C ATOM 0 H LEU A 44 -1.878 -18.572 4.277 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.833 -15.748 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.506 -15.932 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.964 -17.582 2.356 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.425 -18.017 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.064 -16.670 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.258 -15.698 2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.739 -15.567 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.031 -18.518 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.630 -17.555 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.383 -19.046 1.042 1.00 0.00 H new ATOM 196 N VAL A 45 -4.645 -16.987 5.383 1.00 0.00 N ATOM 197 CA VAL A 45 -5.879 -16.645 6.100 1.00 0.00 C ATOM 198 C VAL A 45 -5.610 -16.273 7.562 1.00 0.00 C ATOM 199 O VAL A 45 -6.313 -15.414 8.093 1.00 0.00 O ATOM 200 CB VAL A 45 -6.934 -17.763 5.961 1.00 0.00 C ATOM 201 CG1 VAL A 45 -8.239 -17.387 6.677 1.00 0.00 C ATOM 202 CG2 VAL A 45 -7.273 -18.011 4.481 1.00 0.00 C ATOM 0 H VAL A 45 -4.488 -17.991 5.296 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.295 -15.753 5.631 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.505 -18.659 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.963 -18.194 6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.040 -17.227 7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.642 -16.473 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.018 -18.803 4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.670 -17.096 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.371 -18.310 3.946 1.00 0.00 H new ATOM 212 N ASN A 46 -4.574 -16.843 8.194 1.00 0.00 N ATOM 213 CA ASN A 46 -4.162 -16.550 9.570 1.00 0.00 C ATOM 214 C ASN A 46 -3.933 -15.050 9.795 1.00 0.00 C ATOM 215 O ASN A 46 -4.442 -14.498 10.766 1.00 0.00 O ATOM 216 CB ASN A 46 -2.900 -17.370 9.911 1.00 0.00 C ATOM 217 CG ASN A 46 -2.335 -17.064 11.288 1.00 0.00 C ATOM 218 OD1 ASN A 46 -2.986 -17.218 12.304 1.00 0.00 O ATOM 219 ND2 ASN A 46 -1.092 -16.628 11.368 1.00 0.00 N ATOM 0 H ASN A 46 -3.982 -17.542 7.745 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.970 -16.840 10.242 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.139 -18.432 9.852 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.134 -17.174 9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.681 -16.422 12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.542 -16.497 10.519 1.00 0.00 H new ATOM 226 N SER A 47 -3.140 -14.397 8.933 1.00 0.00 N ATOM 227 CA SER A 47 -2.820 -12.966 9.069 1.00 0.00 C ATOM 228 C SER A 47 -2.116 -12.379 7.834 1.00 0.00 C ATOM 229 O SER A 47 -1.098 -11.700 7.953 1.00 0.00 O ATOM 230 CB SER A 47 -2.041 -12.687 10.372 1.00 0.00 C ATOM 231 OG SER A 47 -1.010 -13.627 10.609 1.00 0.00 O ATOM 0 H SER A 47 -2.704 -14.842 8.125 1.00 0.00 H new ATOM 0 HA SER A 47 -3.774 -12.442 9.135 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.610 -11.687 10.325 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.734 -12.696 11.213 1.00 0.00 H new ATOM 0 HG SER A 47 -0.549 -13.403 11.444 1.00 0.00 H new ATOM 237 N THR A 48 -2.691 -12.588 6.641 1.00 0.00 N ATOM 238 CA THR A 48 -2.144 -12.034 5.388 1.00 0.00 C ATOM 239 C THR A 48 -3.250 -11.403 4.543 1.00 0.00 C ATOM 240 O THR A 48 -3.231 -10.194 4.322 1.00 0.00 O ATOM 241 CB THR A 48 -1.357 -13.096 4.596 1.00 0.00 C ATOM 242 OG1 THR A 48 -0.539 -13.855 5.459 1.00 0.00 O ATOM 243 CG2 THR A 48 -0.465 -12.506 3.499 1.00 0.00 C ATOM 0 H THR A 48 -3.540 -13.140 6.514 1.00 0.00 H new ATOM 0 HA THR A 48 -1.438 -11.246 5.651 1.00 0.00 H new ATOM 0 HB THR A 48 -2.114 -13.719 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.048 -14.525 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.058 -13.311 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.080 -11.958 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.262 -11.829 3.947 1.00 0.00 H new ATOM 251 N VAL A 49 -4.245 -12.190 4.107 1.00 0.00 N ATOM 252 CA VAL A 49 -5.385 -11.668 3.338 1.00 0.00 C ATOM 253 C VAL A 49 -6.279 -10.783 4.205 1.00 0.00 C ATOM 254 O VAL A 49 -6.629 -9.685 3.785 1.00 0.00 O ATOM 255 CB VAL A 49 -6.173 -12.799 2.642 1.00 0.00 C ATOM 256 CG1 VAL A 49 -7.086 -13.607 3.578 1.00 0.00 C ATOM 257 CG2 VAL A 49 -7.014 -12.255 1.482 1.00 0.00 C ATOM 0 H VAL A 49 -4.283 -13.195 4.275 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.987 -11.037 2.543 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.406 -13.480 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.601 -14.379 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.485 -14.073 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.820 -12.942 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.558 -13.074 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.723 -11.519 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.360 -11.784 0.748 1.00 0.00 H new ATOM 267 N THR A 50 -6.609 -11.224 5.428 1.00 0.00 N ATOM 268 CA THR A 50 -7.500 -10.495 6.341 1.00 0.00 C ATOM 269 C THR A 50 -6.911 -9.139 6.735 1.00 0.00 C ATOM 270 O THR A 50 -7.622 -8.136 6.764 1.00 0.00 O ATOM 271 CB THR A 50 -7.858 -11.354 7.569 1.00 0.00 C ATOM 272 OG1 THR A 50 -8.955 -10.782 8.239 1.00 0.00 O ATOM 273 CG2 THR A 50 -6.727 -11.518 8.588 1.00 0.00 C ATOM 0 H THR A 50 -6.262 -12.103 5.813 1.00 0.00 H new ATOM 0 HA THR A 50 -8.430 -10.290 5.810 1.00 0.00 H new ATOM 0 HB THR A 50 -8.079 -12.344 7.171 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.183 -11.329 9.019 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.071 -12.137 9.417 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.872 -11.995 8.109 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.432 -10.539 8.965 1.00 0.00 H new ATOM 281 N GLN A 51 -5.588 -9.086 6.943 1.00 0.00 N ATOM 282 CA GLN A 51 -4.876 -7.855 7.268 1.00 0.00 C ATOM 283 C GLN A 51 -4.909 -6.840 6.123 1.00 0.00 C ATOM 284 O GLN A 51 -4.927 -5.644 6.400 1.00 0.00 O ATOM 285 CB GLN A 51 -3.430 -8.156 7.691 1.00 0.00 C ATOM 286 CG GLN A 51 -3.362 -8.852 9.061 1.00 0.00 C ATOM 287 CD GLN A 51 -1.971 -8.760 9.692 1.00 0.00 C ATOM 288 OE1 GLN A 51 -0.945 -8.842 9.042 1.00 0.00 O ATOM 289 NE2 GLN A 51 -1.884 -8.566 10.994 1.00 0.00 N ATOM 0 H GLN A 51 -4.983 -9.905 6.889 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.398 -7.399 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.957 -8.788 6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.862 -7.226 7.728 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.093 -8.401 9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.638 -9.900 8.947 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.732 -8.494 11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.969 -8.488 11.438 1.00 0.00 H new ATOM 298 N ALA A 52 -4.981 -7.284 4.861 1.00 0.00 N ATOM 299 CA ALA A 52 -5.018 -6.393 3.704 1.00 0.00 C ATOM 300 C ALA A 52 -6.227 -5.445 3.743 1.00 0.00 C ATOM 301 O ALA A 52 -6.068 -4.243 3.530 1.00 0.00 O ATOM 302 CB ALA A 52 -5.006 -7.232 2.420 1.00 0.00 C ATOM 0 H ALA A 52 -5.015 -8.274 4.618 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.132 -5.758 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.034 -6.571 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.099 -7.835 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.877 -7.887 2.405 1.00 0.00 H new ATOM 308 N ILE A 53 -7.420 -5.981 4.050 1.00 0.00 N ATOM 309 CA ILE A 53 -8.656 -5.196 4.177 1.00 0.00 C ATOM 310 C ILE A 53 -8.503 -4.156 5.293 1.00 0.00 C ATOM 311 O ILE A 53 -8.742 -2.972 5.065 1.00 0.00 O ATOM 312 CB ILE A 53 -9.895 -6.101 4.408 1.00 0.00 C ATOM 313 CG1 ILE A 53 -10.034 -7.189 3.314 1.00 0.00 C ATOM 314 CG2 ILE A 53 -11.181 -5.257 4.441 1.00 0.00 C ATOM 315 CD1 ILE A 53 -9.643 -8.575 3.833 1.00 0.00 C ATOM 0 H ILE A 53 -7.553 -6.978 4.218 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.825 -4.673 3.236 1.00 0.00 H new ATOM 0 HB ILE A 53 -9.749 -6.596 5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.063 -7.213 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.405 -6.930 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.040 -5.908 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.118 -4.530 5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.297 -4.734 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.755 -9.308 3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.606 -8.559 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.289 -8.847 4.668 1.00 0.00 H new ATOM 327 N LEU A 54 -8.073 -4.592 6.484 1.00 0.00 N ATOM 328 CA LEU A 54 -7.880 -3.737 7.659 1.00 0.00 C ATOM 329 C LEU A 54 -6.884 -2.612 7.345 1.00 0.00 C ATOM 330 O LEU A 54 -7.192 -1.434 7.534 1.00 0.00 O ATOM 331 CB LEU A 54 -7.383 -4.569 8.863 1.00 0.00 C ATOM 332 CG LEU A 54 -8.209 -5.830 9.193 1.00 0.00 C ATOM 333 CD1 LEU A 54 -7.415 -6.799 10.080 1.00 0.00 C ATOM 334 CD2 LEU A 54 -9.535 -5.495 9.879 1.00 0.00 C ATOM 0 H LEU A 54 -7.845 -5.571 6.660 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.840 -3.292 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.353 -4.872 8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.368 -3.927 9.743 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.428 -6.306 8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.024 -7.677 10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.506 -7.105 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.150 -6.303 11.014 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.078 -6.416 10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.339 -4.968 10.812 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.134 -4.862 9.224 1.00 0.00 H new ATOM 346 N PHE A 55 -5.699 -2.981 6.842 1.00 0.00 N ATOM 347 CA PHE A 55 -4.636 -2.049 6.492 1.00 0.00 C ATOM 348 C PHE A 55 -5.129 -1.030 5.465 1.00 0.00 C ATOM 349 O PHE A 55 -5.035 0.167 5.727 1.00 0.00 O ATOM 350 CB PHE A 55 -3.389 -2.818 6.015 1.00 0.00 C ATOM 351 CG PHE A 55 -2.111 -1.998 6.017 1.00 0.00 C ATOM 352 CD1 PHE A 55 -1.674 -1.392 7.211 1.00 0.00 C ATOM 353 CD2 PHE A 55 -1.335 -1.866 4.848 1.00 0.00 C ATOM 354 CE1 PHE A 55 -0.490 -0.635 7.233 1.00 0.00 C ATOM 355 CE2 PHE A 55 -0.145 -1.115 4.872 1.00 0.00 C ATOM 356 CZ PHE A 55 0.273 -0.493 6.062 1.00 0.00 C ATOM 0 H PHE A 55 -5.454 -3.955 6.666 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.345 -1.484 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.248 -3.690 6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.568 -3.187 5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.252 -1.510 8.115 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.654 -2.342 3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.167 -0.163 8.149 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.448 -1.016 3.975 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.180 0.093 6.076 1.00 0.00 H new ATOM 366 N GLY A 56 -5.717 -1.495 4.351 1.00 0.00 N ATOM 367 CA GLY A 56 -6.279 -0.648 3.300 1.00 0.00 C ATOM 368 C GLY A 56 -7.373 0.306 3.787 1.00 0.00 C ATOM 369 O GLY A 56 -7.371 1.477 3.408 1.00 0.00 O ATOM 0 H GLY A 56 -5.814 -2.492 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.476 -0.064 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.689 -1.284 2.515 1.00 0.00 H new ATOM 373 N VAL A 57 -8.283 -0.164 4.653 1.00 0.00 N ATOM 374 CA VAL A 57 -9.310 0.667 5.304 1.00 0.00 C ATOM 375 C VAL A 57 -8.661 1.816 6.079 1.00 0.00 C ATOM 376 O VAL A 57 -8.953 2.986 5.809 1.00 0.00 O ATOM 377 CB VAL A 57 -10.209 -0.199 6.217 1.00 0.00 C ATOM 378 CG1 VAL A 57 -11.030 0.624 7.224 1.00 0.00 C ATOM 379 CG2 VAL A 57 -11.190 -1.042 5.390 1.00 0.00 C ATOM 0 H VAL A 57 -8.328 -1.146 4.926 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.945 1.106 4.534 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.519 -0.836 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.638 -0.046 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.356 1.188 7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.679 1.315 6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.809 -1.640 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.826 -0.384 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.632 -1.701 4.725 1.00 0.00 H new ATOM 389 N ARG A 58 -7.800 1.498 7.060 1.00 0.00 N ATOM 390 CA ARG A 58 -7.212 2.528 7.925 1.00 0.00 C ATOM 391 C ARG A 58 -6.286 3.454 7.140 1.00 0.00 C ATOM 392 O ARG A 58 -6.394 4.670 7.295 1.00 0.00 O ATOM 393 CB ARG A 58 -6.481 1.929 9.134 1.00 0.00 C ATOM 394 CG ARG A 58 -7.359 0.979 9.964 1.00 0.00 C ATOM 395 CD ARG A 58 -6.791 0.774 11.372 1.00 0.00 C ATOM 396 NE ARG A 58 -7.045 1.938 12.247 1.00 0.00 N ATOM 397 CZ ARG A 58 -6.505 2.169 13.440 1.00 0.00 C ATOM 398 NH1 ARG A 58 -5.602 1.367 13.949 1.00 0.00 N ATOM 399 NH2 ARG A 58 -6.852 3.216 14.151 1.00 0.00 N ATOM 0 H ARG A 58 -7.500 0.546 7.271 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.043 3.119 8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.600 1.389 8.787 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.127 2.738 9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.369 1.383 10.033 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.435 0.017 9.458 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.235 -0.117 11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.717 0.596 11.307 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.702 2.636 11.900 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.299 0.544 13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.202 1.566 14.866 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.547 3.870 13.791 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.427 3.376 15.064 1.00 0.00 H new ATOM 413 N SER A 59 -5.415 2.897 6.289 1.00 0.00 N ATOM 414 CA SER A 59 -4.510 3.667 5.432 1.00 0.00 C ATOM 415 C SER A 59 -5.283 4.616 4.512 1.00 0.00 C ATOM 416 O SER A 59 -4.916 5.784 4.406 1.00 0.00 O ATOM 417 CB SER A 59 -3.581 2.746 4.626 1.00 0.00 C ATOM 418 OG SER A 59 -4.251 2.151 3.534 1.00 0.00 O ATOM 0 H SER A 59 -5.319 1.888 6.176 1.00 0.00 H new ATOM 0 HA SER A 59 -3.885 4.277 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.729 3.319 4.261 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.186 1.967 5.278 1.00 0.00 H new ATOM 0 HG SER A 59 -3.629 1.573 3.044 1.00 0.00 H new ATOM 424 N GLY A 60 -6.387 4.149 3.911 1.00 0.00 N ATOM 425 CA GLY A 60 -7.259 4.940 3.051 1.00 0.00 C ATOM 426 C GLY A 60 -7.854 6.151 3.768 1.00 0.00 C ATOM 427 O GLY A 60 -7.678 7.288 3.325 1.00 0.00 O ATOM 0 H GLY A 60 -6.700 3.184 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.695 5.279 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.067 4.309 2.681 1.00 0.00 H new ATOM 431 N ALA A 61 -8.530 5.909 4.898 1.00 0.00 N ATOM 432 CA ALA A 61 -9.085 6.972 5.733 1.00 0.00 C ATOM 433 C ALA A 61 -8.004 7.953 6.226 1.00 0.00 C ATOM 434 O ALA A 61 -8.177 9.167 6.089 1.00 0.00 O ATOM 435 CB ALA A 61 -9.852 6.340 6.899 1.00 0.00 C ATOM 0 H ALA A 61 -8.705 4.970 5.256 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.772 7.567 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.270 7.126 7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.659 5.719 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.173 5.725 7.490 1.00 0.00 H new ATOM 441 N ALA A 62 -6.887 7.437 6.763 1.00 0.00 N ATOM 442 CA ALA A 62 -5.757 8.243 7.227 1.00 0.00 C ATOM 443 C ALA A 62 -5.161 9.115 6.110 1.00 0.00 C ATOM 444 O ALA A 62 -4.878 10.290 6.335 1.00 0.00 O ATOM 445 CB ALA A 62 -4.699 7.329 7.850 1.00 0.00 C ATOM 0 H ALA A 62 -6.746 6.434 6.887 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.123 8.935 7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.857 7.929 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.133 6.793 8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.352 6.613 7.105 1.00 0.00 H new ATOM 451 N ALA A 63 -5.010 8.571 4.898 1.00 0.00 N ATOM 452 CA ALA A 63 -4.593 9.332 3.729 1.00 0.00 C ATOM 453 C ALA A 63 -5.594 10.442 3.371 1.00 0.00 C ATOM 454 O ALA A 63 -5.180 11.592 3.239 1.00 0.00 O ATOM 455 CB ALA A 63 -4.349 8.368 2.573 1.00 0.00 C ATOM 0 H ALA A 63 -5.176 7.583 4.706 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.661 9.851 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.036 8.928 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.568 7.659 2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.268 7.826 2.351 1.00 0.00 H new ATOM 461 N LEU A 64 -6.898 10.139 3.265 1.00 0.00 N ATOM 462 CA LEU A 64 -7.933 11.149 3.003 1.00 0.00 C ATOM 463 C LEU A 64 -7.826 12.342 3.958 1.00 0.00 C ATOM 464 O LEU A 64 -7.741 13.480 3.491 1.00 0.00 O ATOM 465 CB LEU A 64 -9.329 10.495 2.998 1.00 0.00 C ATOM 466 CG LEU A 64 -10.520 11.480 3.144 1.00 0.00 C ATOM 467 CD1 LEU A 64 -11.703 11.033 2.286 1.00 0.00 C ATOM 468 CD2 LEU A 64 -10.994 11.609 4.604 1.00 0.00 C ATOM 0 H LEU A 64 -7.262 9.191 3.358 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.769 11.563 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.449 9.940 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.376 9.770 3.810 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.158 12.451 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.526 11.738 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.401 11.000 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.027 10.041 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.828 12.309 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.315 10.634 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.174 11.976 5.222 1.00 0.00 H new ATOM 480 N THR A 65 -7.817 12.095 5.277 1.00 0.00 N ATOM 481 CA THR A 65 -7.745 13.179 6.268 1.00 0.00 C ATOM 482 C THR A 65 -6.461 14.002 6.115 1.00 0.00 C ATOM 483 O THR A 65 -6.519 15.231 6.108 1.00 0.00 O ATOM 484 CB THR A 65 -7.986 12.674 7.699 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.013 13.743 8.613 1.00 0.00 O ATOM 486 CG2 THR A 65 -6.966 11.662 8.199 1.00 0.00 C ATOM 0 H THR A 65 -7.858 11.159 5.680 1.00 0.00 H new ATOM 0 HA THR A 65 -8.566 13.866 6.063 1.00 0.00 H new ATOM 0 HB THR A 65 -8.950 12.169 7.643 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.169 13.397 9.516 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.218 11.364 9.217 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.975 10.785 7.551 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.973 12.111 8.188 1.00 0.00 H new ATOM 494 N LEU A 66 -5.310 13.360 5.880 1.00 0.00 N ATOM 495 CA LEU A 66 -4.047 14.064 5.636 1.00 0.00 C ATOM 496 C LEU A 66 -4.129 14.974 4.386 1.00 0.00 C ATOM 497 O LEU A 66 -3.627 16.100 4.414 1.00 0.00 O ATOM 498 CB LEU A 66 -2.884 13.040 5.641 1.00 0.00 C ATOM 499 CG LEU A 66 -2.191 12.789 4.290 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.234 13.938 3.946 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.481 11.436 4.242 1.00 0.00 C ATOM 0 H LEU A 66 -5.229 12.344 5.854 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.839 14.765 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.132 13.380 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.267 12.089 6.011 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.971 12.756 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.756 13.738 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.793 14.872 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.472 14.021 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.008 11.308 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.721 11.396 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.207 10.638 4.401 1.00 0.00 H new ATOM 513 N ILE A 67 -4.775 14.511 3.305 1.00 0.00 N ATOM 514 CA ILE A 67 -4.906 15.261 2.048 1.00 0.00 C ATOM 515 C ILE A 67 -5.708 16.546 2.290 1.00 0.00 C ATOM 516 O ILE A 67 -5.210 17.636 1.996 1.00 0.00 O ATOM 517 CB ILE A 67 -5.529 14.384 0.934 1.00 0.00 C ATOM 518 CG1 ILE A 67 -4.608 13.204 0.547 1.00 0.00 C ATOM 519 CG2 ILE A 67 -5.836 15.213 -0.327 1.00 0.00 C ATOM 520 CD1 ILE A 67 -5.381 12.011 -0.041 1.00 0.00 C ATOM 0 H ILE A 67 -5.225 13.596 3.279 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.913 15.545 1.699 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.459 13.987 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.872 13.547 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.057 12.875 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.272 14.568 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.540 16.007 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.914 15.652 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.682 11.214 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.099 11.645 0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.910 12.328 -0.940 1.00 0.00 H new ATOM 532 N VAL A 68 -6.921 16.433 2.856 1.00 0.00 N ATOM 533 CA VAL A 68 -7.737 17.614 3.196 1.00 0.00 C ATOM 534 C VAL A 68 -6.991 18.565 4.135 1.00 0.00 C ATOM 535 O VAL A 68 -7.002 19.771 3.895 1.00 0.00 O ATOM 536 CB VAL A 68 -9.147 17.250 3.709 1.00 0.00 C ATOM 537 CG1 VAL A 68 -9.154 16.325 4.924 1.00 0.00 C ATOM 538 CG2 VAL A 68 -9.968 18.496 4.072 1.00 0.00 C ATOM 0 H VAL A 68 -7.358 15.541 3.088 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.903 18.155 2.264 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.596 16.720 2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.183 16.120 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.655 15.389 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.629 16.805 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.952 18.192 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.455 19.054 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.080 19.127 3.191 1.00 0.00 H new ATOM 548 N VAL A 69 -6.276 18.041 5.142 1.00 0.00 N ATOM 549 CA VAL A 69 -5.447 18.859 6.038 1.00 0.00 C ATOM 550 C VAL A 69 -4.436 19.678 5.231 1.00 0.00 C ATOM 551 O VAL A 69 -4.419 20.897 5.380 1.00 0.00 O ATOM 552 CB VAL A 69 -4.764 18.003 7.124 1.00 0.00 C ATOM 553 CG1 VAL A 69 -3.778 18.814 7.978 1.00 0.00 C ATOM 554 CG2 VAL A 69 -5.792 17.380 8.084 1.00 0.00 C ATOM 0 H VAL A 69 -6.256 17.044 5.357 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.100 19.557 6.562 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.227 17.227 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.325 18.164 8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.999 19.229 7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.309 19.625 8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.274 16.784 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.357 18.172 8.576 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.474 16.742 7.522 1.00 0.00 H new ATOM 564 N TRP A 70 -3.631 19.064 4.356 1.00 0.00 N ATOM 565 CA TRP A 70 -2.679 19.816 3.527 1.00 0.00 C ATOM 566 C TRP A 70 -3.349 20.911 2.678 1.00 0.00 C ATOM 567 O TRP A 70 -2.802 22.006 2.559 1.00 0.00 O ATOM 568 CB TRP A 70 -1.855 18.856 2.662 1.00 0.00 C ATOM 569 CG TRP A 70 -0.930 19.495 1.665 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.784 19.087 0.384 1.00 0.00 C ATOM 571 CD2 TRP A 70 -0.031 20.646 1.818 1.00 0.00 C ATOM 572 NE1 TRP A 70 0.112 19.910 -0.270 1.00 0.00 N ATOM 573 CE2 TRP A 70 0.589 20.901 0.559 1.00 0.00 C ATOM 574 CE3 TRP A 70 0.338 21.498 2.884 1.00 0.00 C ATOM 575 CZ2 TRP A 70 1.485 21.961 0.354 1.00 0.00 C ATOM 576 CZ3 TRP A 70 1.261 22.544 2.696 1.00 0.00 C ATOM 577 CH2 TRP A 70 1.818 22.793 1.434 1.00 0.00 C ATOM 0 H TRP A 70 -3.619 18.056 4.203 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.008 20.341 4.206 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -1.263 18.221 3.322 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.542 18.203 2.124 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.292 18.244 -0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.386 19.798 -1.246 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.096 21.344 3.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.913 22.134 -0.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.544 23.163 3.535 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.499 23.620 1.294 1.00 0.00 H new ATOM 588 N ILE A 71 -4.552 20.667 2.143 1.00 0.00 N ATOM 589 CA ILE A 71 -5.297 21.651 1.340 1.00 0.00 C ATOM 590 C ILE A 71 -5.644 22.924 2.144 1.00 0.00 C ATOM 591 O ILE A 71 -5.358 24.035 1.681 1.00 0.00 O ATOM 592 CB ILE A 71 -6.551 20.981 0.729 1.00 0.00 C ATOM 593 CG1 ILE A 71 -6.170 19.907 -0.317 1.00 0.00 C ATOM 594 CG2 ILE A 71 -7.477 22.013 0.059 1.00 0.00 C ATOM 595 CD1 ILE A 71 -7.236 18.811 -0.452 1.00 0.00 C ATOM 0 H ILE A 71 -5.040 19.778 2.254 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.655 21.988 0.526 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.078 20.508 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.021 20.385 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.220 19.452 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.346 21.505 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.804 22.743 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.937 22.523 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.918 18.084 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.368 18.311 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.181 19.258 -0.761 1.00 0.00 H new ATOM 607 N THR A 72 -6.284 22.767 3.316 1.00 0.00 N ATOM 608 CA THR A 72 -6.795 23.880 4.152 1.00 0.00 C ATOM 609 C THR A 72 -5.816 24.333 5.242 1.00 0.00 C ATOM 610 O THR A 72 -5.515 25.526 5.323 1.00 0.00 O ATOM 611 CB THR A 72 -8.180 23.569 4.769 1.00 0.00 C ATOM 612 OG1 THR A 72 -8.458 24.407 5.871 1.00 0.00 O ATOM 613 CG2 THR A 72 -8.364 22.128 5.251 1.00 0.00 C ATOM 0 H THR A 72 -6.466 21.849 3.721 1.00 0.00 H new ATOM 0 HA THR A 72 -6.907 24.714 3.459 1.00 0.00 H new ATOM 0 HB THR A 72 -8.867 23.744 3.941 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.340 24.186 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.364 22.008 5.667 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.236 21.444 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.623 21.904 6.018 1.00 0.00 H new ATOM 621 N SER A 73 -5.333 23.404 6.077 1.00 0.00 N ATOM 622 CA SER A 73 -4.382 23.665 7.166 1.00 0.00 C ATOM 623 C SER A 73 -3.036 24.151 6.633 1.00 0.00 C ATOM 624 O SER A 73 -2.307 24.837 7.346 1.00 0.00 O ATOM 625 CB SER A 73 -4.153 22.377 7.972 1.00 0.00 C ATOM 626 OG SER A 73 -3.548 22.623 9.223 1.00 0.00 O ATOM 0 H SER A 73 -5.601 22.422 6.012 1.00 0.00 H new ATOM 0 HA SER A 73 -4.810 24.444 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.108 21.874 8.126 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.525 21.698 7.395 1.00 0.00 H new ATOM 0 HG SER A 73 -3.424 21.775 9.699 1.00 0.00 H new ATOM 632 N ARG A 74 -2.707 23.781 5.380 1.00 0.00 N ATOM 633 CA ARG A 74 -1.477 24.148 4.667 1.00 0.00 C ATOM 634 C ARG A 74 -0.208 23.867 5.486 1.00 0.00 C ATOM 635 O ARG A 74 0.814 24.540 5.353 1.00 0.00 O ATOM 636 CB ARG A 74 -1.592 25.605 4.166 1.00 0.00 C ATOM 637 CG ARG A 74 -1.143 25.745 2.700 1.00 0.00 C ATOM 638 CD ARG A 74 -2.351 25.821 1.760 1.00 0.00 C ATOM 639 NE ARG A 74 -2.951 27.167 1.788 1.00 0.00 N ATOM 640 CZ ARG A 74 -4.086 27.544 1.218 1.00 0.00 C ATOM 641 NH1 ARG A 74 -4.923 26.681 0.686 1.00 0.00 N ATOM 642 NH2 ARG A 74 -4.395 28.822 1.180 1.00 0.00 N ATOM 0 H ARG A 74 -3.321 23.193 4.816 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.369 23.506 3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.624 25.942 4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.984 26.254 4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.533 26.641 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.517 24.896 2.425 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.043 25.576 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.094 25.080 2.055 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.438 27.884 2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.708 25.684 0.704 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.788 27.008 0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.763 29.512 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.266 29.123 0.744 1.00 0.00 H new ATOM 656 N SER A 75 -0.286 22.852 6.352 1.00 0.00 N ATOM 657 CA SER A 75 0.754 22.520 7.312 1.00 0.00 C ATOM 658 C SER A 75 1.988 21.931 6.631 1.00 0.00 C ATOM 659 O SER A 75 1.904 20.973 5.854 1.00 0.00 O ATOM 660 CB SER A 75 0.229 21.530 8.347 1.00 0.00 C ATOM 661 OG SER A 75 1.157 21.483 9.412 1.00 0.00 O ATOM 0 H SER A 75 -1.093 22.230 6.401 1.00 0.00 H new ATOM 0 HA SER A 75 1.044 23.448 7.804 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.751 21.840 8.709 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.107 20.542 7.903 1.00 0.00 H new ATOM 0 HG SER A 75 0.719 21.125 10.212 1.00 0.00 H new ATOM 667 N ARG A 76 3.159 22.457 7.010 1.00 0.00 N ATOM 668 CA ARG A 76 4.474 22.063 6.489 1.00 0.00 C ATOM 669 C ARG A 76 4.886 20.625 6.844 1.00 0.00 C ATOM 670 O ARG A 76 5.871 20.132 6.303 1.00 0.00 O ATOM 671 CB ARG A 76 5.532 23.075 6.961 1.00 0.00 C ATOM 672 CG ARG A 76 5.272 24.519 6.495 1.00 0.00 C ATOM 673 CD ARG A 76 5.200 24.630 4.964 1.00 0.00 C ATOM 674 NE ARG A 76 5.438 26.011 4.508 1.00 0.00 N ATOM 675 CZ ARG A 76 6.621 26.602 4.374 1.00 0.00 C ATOM 676 NH1 ARG A 76 7.744 25.975 4.649 1.00 0.00 N ATOM 677 NH2 ARG A 76 6.698 27.845 3.959 1.00 0.00 N ATOM 0 H ARG A 76 3.219 23.194 7.712 1.00 0.00 H new ATOM 0 HA ARG A 76 4.401 22.074 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.575 23.058 8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.510 22.758 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.338 24.876 6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.065 25.168 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.939 23.966 4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.221 24.296 4.620 1.00 0.00 H new ATOM 0 HE ARG A 76 4.616 26.567 4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.722 25.009 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.637 26.455 4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.847 28.362 3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.609 28.293 3.858 1.00 0.00 H new ATOM 691 N LYS A 77 4.105 19.931 7.685 1.00 0.00 N ATOM 692 CA LYS A 77 4.267 18.517 8.065 1.00 0.00 C ATOM 693 C LYS A 77 3.849 17.511 6.976 1.00 0.00 C ATOM 694 O LYS A 77 3.757 16.318 7.252 1.00 0.00 O ATOM 695 CB LYS A 77 3.530 18.264 9.393 1.00 0.00 C ATOM 696 CG LYS A 77 2.000 18.170 9.248 1.00 0.00 C ATOM 697 CD LYS A 77 1.242 18.451 10.556 1.00 0.00 C ATOM 698 CE LYS A 77 1.262 17.318 11.593 1.00 0.00 C ATOM 699 NZ LYS A 77 2.574 17.165 12.270 1.00 0.00 N ATOM 0 H LYS A 77 3.302 20.362 8.143 1.00 0.00 H new ATOM 0 HA LYS A 77 5.335 18.340 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.901 17.338 9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.771 19.067 10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.671 18.878 8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.737 17.174 8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.664 19.346 11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.204 18.677 10.312 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.494 17.508 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.003 16.380 11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.431 16.753 13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.184 16.538 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.027 18.096 12.364 1.00 0.00 H new ATOM 713 N THR A 78 3.589 17.985 5.754 1.00 0.00 N ATOM 714 CA THR A 78 3.174 17.189 4.595 1.00 0.00 C ATOM 715 C THR A 78 4.248 17.219 3.495 1.00 0.00 C ATOM 716 O THR A 78 4.123 17.943 2.508 1.00 0.00 O ATOM 717 CB THR A 78 1.790 17.625 4.090 1.00 0.00 C ATOM 718 OG1 THR A 78 1.693 19.024 3.922 1.00 0.00 O ATOM 719 CG2 THR A 78 0.670 17.154 5.025 1.00 0.00 C ATOM 0 H THR A 78 3.665 18.978 5.536 1.00 0.00 H new ATOM 0 HA THR A 78 3.075 16.149 4.906 1.00 0.00 H new ATOM 0 HB THR A 78 1.669 17.150 3.116 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.980 19.228 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.293 17.482 4.633 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.684 16.066 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.822 17.579 6.017 1.00 0.00 H new ATOM 727 N PRO A 79 5.337 16.437 3.644 1.00 0.00 N ATOM 728 CA PRO A 79 6.379 16.355 2.630 1.00 0.00 C ATOM 729 C PRO A 79 5.875 15.638 1.371 1.00 0.00 C ATOM 730 O PRO A 79 5.043 14.730 1.434 1.00 0.00 O ATOM 731 CB PRO A 79 7.536 15.602 3.295 1.00 0.00 C ATOM 732 CG PRO A 79 6.858 14.739 4.354 1.00 0.00 C ATOM 733 CD PRO A 79 5.653 15.578 4.775 1.00 0.00 C ATOM 0 HA PRO A 79 6.695 17.342 2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.082 14.993 2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.255 16.289 3.741 1.00 0.00 H new ATOM 0 HG2 PRO A 79 6.554 13.773 3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.522 14.539 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.805 14.941 5.028 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.882 16.170 5.661 1.00 0.00 H new ATOM 849 N VAL A 86 1.499 7.871 -0.089 1.00 0.00 N ATOM 850 CA VAL A 86 0.079 7.620 0.195 1.00 0.00 C ATOM 851 C VAL A 86 -0.745 7.609 -1.092 1.00 0.00 C ATOM 852 O VAL A 86 -1.562 6.712 -1.253 1.00 0.00 O ATOM 853 CB VAL A 86 -0.506 8.607 1.228 1.00 0.00 C ATOM 854 CG1 VAL A 86 0.235 8.487 2.571 1.00 0.00 C ATOM 855 CG2 VAL A 86 -0.526 10.046 0.698 1.00 0.00 C ATOM 0 HA VAL A 86 0.020 6.630 0.647 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.547 8.336 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.192 9.190 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.131 7.472 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.291 8.713 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.945 10.707 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.491 10.361 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.138 10.093 -0.203 1.00 0.00 H new ATOM 865 N SER A 87 -0.499 8.534 -2.034 1.00 0.00 N ATOM 866 CA SER A 87 -1.166 8.579 -3.341 1.00 0.00 C ATOM 867 C SER A 87 -1.019 7.256 -4.091 1.00 0.00 C ATOM 868 O SER A 87 -2.022 6.617 -4.412 1.00 0.00 O ATOM 869 CB SER A 87 -0.616 9.749 -4.166 1.00 0.00 C ATOM 870 OG SER A 87 -1.126 9.748 -5.482 1.00 0.00 O ATOM 0 H SER A 87 0.181 9.283 -1.904 1.00 0.00 H new ATOM 0 HA SER A 87 -2.232 8.736 -3.179 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.871 10.690 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.472 9.692 -4.198 1.00 0.00 H new ATOM 0 HG SER A 87 -0.755 10.508 -5.977 1.00 0.00 H new ATOM 876 N LEU A 88 0.222 6.813 -4.336 1.00 0.00 N ATOM 877 CA LEU A 88 0.478 5.519 -4.968 1.00 0.00 C ATOM 878 C LEU A 88 -0.229 4.387 -4.217 1.00 0.00 C ATOM 879 O LEU A 88 -0.997 3.653 -4.839 1.00 0.00 O ATOM 880 CB LEU A 88 1.992 5.278 -5.078 1.00 0.00 C ATOM 881 CG LEU A 88 2.592 5.851 -6.376 1.00 0.00 C ATOM 882 CD1 LEU A 88 4.100 6.058 -6.204 1.00 0.00 C ATOM 883 CD2 LEU A 88 2.344 4.909 -7.561 1.00 0.00 C ATOM 0 H LEU A 88 1.065 7.337 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 88 0.065 5.532 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.491 5.731 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.190 4.207 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 88 2.106 6.805 -6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.519 6.463 -7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.281 6.755 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.575 5.103 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.778 5.338 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.806 3.942 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.271 4.776 -7.702 1.00 0.00 H new ATOM 895 N PHE A 89 -0.027 4.272 -2.896 1.00 0.00 N ATOM 896 CA PHE A 89 -0.703 3.253 -2.091 1.00 0.00 C ATOM 897 C PHE A 89 -2.224 3.278 -2.259 1.00 0.00 C ATOM 898 O PHE A 89 -2.792 2.223 -2.515 1.00 0.00 O ATOM 899 CB PHE A 89 -0.301 3.346 -0.611 1.00 0.00 C ATOM 900 CG PHE A 89 0.946 2.555 -0.263 1.00 0.00 C ATOM 901 CD1 PHE A 89 0.972 1.160 -0.459 1.00 0.00 C ATOM 902 CD2 PHE A 89 2.072 3.199 0.280 1.00 0.00 C ATOM 903 CE1 PHE A 89 2.127 0.422 -0.146 1.00 0.00 C ATOM 904 CE2 PHE A 89 3.226 2.461 0.600 1.00 0.00 C ATOM 905 CZ PHE A 89 3.257 1.073 0.380 1.00 0.00 C ATOM 0 H PHE A 89 0.601 4.875 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.365 2.288 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.139 4.393 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.128 2.991 0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.101 0.656 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.051 4.265 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.146 -0.645 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.089 2.961 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.147 0.508 0.614 1.00 0.00 H new ATOM 915 N LEU A 90 -2.877 4.444 -2.177 1.00 0.00 N ATOM 916 CA LEU A 90 -4.321 4.607 -2.371 1.00 0.00 C ATOM 917 C LEU A 90 -4.798 3.996 -3.694 1.00 0.00 C ATOM 918 O LEU A 90 -5.702 3.157 -3.696 1.00 0.00 O ATOM 919 CB LEU A 90 -4.687 6.103 -2.320 1.00 0.00 C ATOM 920 CG LEU A 90 -4.728 6.733 -0.919 1.00 0.00 C ATOM 921 CD1 LEU A 90 -4.797 8.266 -1.034 1.00 0.00 C ATOM 922 CD2 LEU A 90 -5.926 6.188 -0.142 1.00 0.00 C ATOM 0 H LEU A 90 -2.402 5.322 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.825 4.074 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.968 6.655 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.663 6.235 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.819 6.473 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.826 8.705 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.918 8.631 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.696 8.550 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.951 6.638 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.846 6.431 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.837 5.106 -0.048 1.00 0.00 H new ATOM 934 N ILE A 91 -4.195 4.412 -4.816 1.00 0.00 N ATOM 935 CA ILE A 91 -4.581 3.917 -6.144 1.00 0.00 C ATOM 936 C ILE A 91 -4.291 2.422 -6.274 1.00 0.00 C ATOM 937 O ILE A 91 -5.166 1.669 -6.705 1.00 0.00 O ATOM 938 CB ILE A 91 -3.892 4.722 -7.268 1.00 0.00 C ATOM 939 CG1 ILE A 91 -4.335 6.209 -7.239 1.00 0.00 C ATOM 940 CG2 ILE A 91 -4.222 4.104 -8.642 1.00 0.00 C ATOM 941 CD1 ILE A 91 -3.172 7.209 -7.168 1.00 0.00 C ATOM 0 H ILE A 91 -3.435 5.093 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.656 4.061 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.815 4.681 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.926 6.418 -8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.988 6.366 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.731 4.679 -9.427 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.868 3.074 -8.672 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.300 4.122 -8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.566 8.225 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.593 7.030 -6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.530 7.083 -8.040 1.00 0.00 H new ATOM 953 N ILE A 92 -3.080 1.986 -5.899 1.00 0.00 N ATOM 954 CA ILE A 92 -2.665 0.581 -5.970 1.00 0.00 C ATOM 955 C ILE A 92 -3.610 -0.291 -5.137 1.00 0.00 C ATOM 956 O ILE A 92 -4.063 -1.320 -5.632 1.00 0.00 O ATOM 957 CB ILE A 92 -1.188 0.415 -5.545 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.235 1.155 -6.515 1.00 0.00 C ATOM 959 CG2 ILE A 92 -0.803 -1.077 -5.494 1.00 0.00 C ATOM 960 CD1 ILE A 92 1.135 1.442 -5.886 1.00 0.00 C ATOM 0 H ILE A 92 -2.356 2.605 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.731 0.245 -7.005 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.085 0.852 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.100 0.555 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.694 2.094 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.240 -1.173 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.438 -1.592 -4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.939 -1.522 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.765 1.962 -6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.006 2.066 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.609 0.502 -5.602 1.00 0.00 H new ATOM 972 N LEU A 93 -3.959 0.139 -3.916 1.00 0.00 N ATOM 973 CA LEU A 93 -4.950 -0.507 -3.058 1.00 0.00 C ATOM 974 C LEU A 93 -6.304 -0.593 -3.757 1.00 0.00 C ATOM 975 O LEU A 93 -6.816 -1.697 -3.896 1.00 0.00 O ATOM 976 CB LEU A 93 -5.069 0.225 -1.708 1.00 0.00 C ATOM 977 CG LEU A 93 -3.900 -0.078 -0.749 1.00 0.00 C ATOM 978 CD1 LEU A 93 -3.811 0.981 0.354 1.00 0.00 C ATOM 979 CD2 LEU A 93 -4.075 -1.451 -0.089 1.00 0.00 C ATOM 0 H LEU A 93 -3.546 0.969 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.612 -1.524 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.115 1.299 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.006 -0.059 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.986 -0.070 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.979 0.746 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.651 1.961 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.739 0.990 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.238 -1.641 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.006 -1.466 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.106 -2.223 -0.858 1.00 0.00 H new ATOM 991 N HIS A 94 -6.876 0.526 -4.220 1.00 0.00 N ATOM 992 CA HIS A 94 -8.181 0.519 -4.887 1.00 0.00 C ATOM 993 C HIS A 94 -8.190 -0.408 -6.116 1.00 0.00 C ATOM 994 O HIS A 94 -9.074 -1.260 -6.240 1.00 0.00 O ATOM 995 CB HIS A 94 -8.584 1.958 -5.252 1.00 0.00 C ATOM 996 CG HIS A 94 -10.003 2.132 -5.751 1.00 0.00 C ATOM 997 ND1 HIS A 94 -10.532 3.315 -6.218 1.00 0.00 N ATOM 998 CD2 HIS A 94 -11.005 1.194 -5.798 1.00 0.00 C ATOM 999 CE1 HIS A 94 -11.808 3.084 -6.568 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -12.141 1.807 -6.331 1.00 0.00 N ATOM 0 H HIS A 94 -6.452 1.451 -4.144 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.922 0.117 -4.196 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.447 2.589 -4.374 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.901 2.325 -6.018 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.928 0.165 -5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.475 3.825 -6.983 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.046 1.369 -6.506 1.00 0.00 H new ATOM 1008 N SER A 95 -7.189 -0.275 -6.997 1.00 0.00 N ATOM 1009 CA SER A 95 -7.064 -1.094 -8.202 1.00 0.00 C ATOM 1010 C SER A 95 -6.913 -2.576 -7.853 1.00 0.00 C ATOM 1011 O SER A 95 -7.694 -3.396 -8.336 1.00 0.00 O ATOM 1012 CB SER A 95 -5.893 -0.607 -9.062 1.00 0.00 C ATOM 1013 OG SER A 95 -6.055 -1.071 -10.386 1.00 0.00 O ATOM 0 H SER A 95 -6.440 0.409 -6.889 1.00 0.00 H new ATOM 0 HA SER A 95 -7.981 -0.987 -8.781 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.848 0.482 -9.050 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.951 -0.970 -8.651 1.00 0.00 H new ATOM 0 HG SER A 95 -5.307 -0.758 -10.936 1.00 0.00 H new ATOM 1019 N ALA A 96 -5.958 -2.923 -6.976 1.00 0.00 N ATOM 1020 CA ALA A 96 -5.727 -4.291 -6.525 1.00 0.00 C ATOM 1021 C ALA A 96 -6.962 -4.886 -5.836 1.00 0.00 C ATOM 1022 O ALA A 96 -7.323 -6.019 -6.146 1.00 0.00 O ATOM 1023 CB ALA A 96 -4.502 -4.330 -5.603 1.00 0.00 C ATOM 0 H ALA A 96 -5.319 -2.246 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.533 -4.911 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.332 -5.353 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.626 -3.976 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.676 -3.689 -4.739 1.00 0.00 H new ATOM 1029 N LEU A 97 -7.622 -4.133 -4.945 1.00 0.00 N ATOM 1030 CA LEU A 97 -8.869 -4.530 -4.286 1.00 0.00 C ATOM 1031 C LEU A 97 -9.929 -4.896 -5.322 1.00 0.00 C ATOM 1032 O LEU A 97 -10.387 -6.037 -5.336 1.00 0.00 O ATOM 1033 CB LEU A 97 -9.394 -3.413 -3.359 1.00 0.00 C ATOM 1034 CG LEU A 97 -8.718 -3.361 -1.977 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -9.162 -2.091 -1.243 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -9.062 -4.598 -1.129 1.00 0.00 C ATOM 0 H LEU A 97 -7.294 -3.211 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.656 -5.406 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.255 -2.452 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.467 -3.548 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.638 -3.351 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.685 -2.051 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.872 -1.215 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.245 -2.102 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.566 -4.525 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.141 -4.649 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.723 -5.497 -1.643 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.314 -3.946 -6.185 1.00 0.00 N ATOM 1049 CA TYR A 98 -11.372 -4.174 -7.169 1.00 0.00 C ATOM 1050 C TYR A 98 -11.000 -5.311 -8.131 1.00 0.00 C ATOM 1051 O TYR A 98 -11.796 -6.225 -8.336 1.00 0.00 O ATOM 1052 CB TYR A 98 -11.713 -2.869 -7.905 1.00 0.00 C ATOM 1053 CG TYR A 98 -13.177 -2.771 -8.298 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -14.110 -2.235 -7.385 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -13.612 -3.220 -9.558 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -15.473 -2.148 -7.727 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -14.974 -3.134 -9.907 1.00 0.00 C ATOM 1058 CZ TYR A 98 -15.909 -2.601 -8.993 1.00 0.00 C ATOM 1059 OH TYR A 98 -17.225 -2.526 -9.344 1.00 0.00 O ATOM 0 H TYR A 98 -9.906 -3.012 -6.219 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.272 -4.494 -6.645 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.457 -2.022 -7.268 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -11.097 -2.792 -8.801 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.776 -1.889 -6.418 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -12.901 -3.631 -10.259 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -16.183 -1.737 -7.025 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -15.304 -3.477 -10.877 1.00 0.00 H new ATOM 0 HH TYR A 98 -17.343 -2.881 -10.250 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.772 -5.315 -8.664 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.262 -6.380 -9.530 1.00 0.00 C ATOM 1071 C PHE A 99 -9.371 -7.768 -8.878 1.00 0.00 C ATOM 1072 O PHE A 99 -9.924 -8.691 -9.483 1.00 0.00 O ATOM 1073 CB PHE A 99 -7.813 -6.060 -9.922 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.129 -7.140 -10.739 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -7.720 -7.613 -11.928 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -5.902 -7.679 -10.308 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -7.093 -8.626 -12.672 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -5.275 -8.691 -11.055 1.00 0.00 C ATOM 1079 CZ PHE A 99 -5.871 -9.166 -12.236 1.00 0.00 C ATOM 0 H PHE A 99 -9.097 -4.567 -8.502 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.881 -6.419 -10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.801 -5.130 -10.490 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.234 -5.887 -9.015 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.657 -7.196 -12.268 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.442 -7.314 -9.402 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.550 -8.990 -13.580 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.335 -9.104 -10.721 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.390 -9.946 -12.808 1.00 0.00 H new ATOM 1089 N LYS A 100 -8.887 -7.916 -7.635 1.00 0.00 N ATOM 1090 CA LYS A 100 -8.988 -9.167 -6.874 1.00 0.00 C ATOM 1091 C LYS A 100 -10.437 -9.541 -6.578 1.00 0.00 C ATOM 1092 O LYS A 100 -10.800 -10.702 -6.741 1.00 0.00 O ATOM 1093 CB LYS A 100 -8.171 -9.072 -5.582 1.00 0.00 C ATOM 1094 CG LYS A 100 -6.659 -9.046 -5.867 1.00 0.00 C ATOM 1095 CD LYS A 100 -5.888 -8.617 -4.612 1.00 0.00 C ATOM 1096 CE LYS A 100 -4.432 -8.241 -4.909 1.00 0.00 C ATOM 1097 NZ LYS A 100 -3.649 -9.372 -5.460 1.00 0.00 N ATOM 0 H LYS A 100 -8.413 -7.168 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.574 -9.964 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.454 -8.171 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.406 -9.920 -4.939 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.325 -10.033 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.448 -8.357 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.392 -7.766 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.908 -9.428 -3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.412 -7.412 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.958 -7.889 -3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.673 -9.062 -5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.642 -10.155 -4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.082 -9.693 -6.349 1.00 0.00 H new ATOM 1111 N TYR A 101 -11.272 -8.574 -6.189 1.00 0.00 N ATOM 1112 CA TYR A 101 -12.697 -8.784 -5.932 1.00 0.00 C ATOM 1113 C TYR A 101 -13.438 -9.302 -7.175 1.00 0.00 C ATOM 1114 O TYR A 101 -14.303 -10.171 -7.062 1.00 0.00 O ATOM 1115 CB TYR A 101 -13.312 -7.479 -5.412 1.00 0.00 C ATOM 1116 CG TYR A 101 -14.668 -7.664 -4.768 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -14.736 -8.075 -3.423 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -15.848 -7.428 -5.499 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -15.985 -8.230 -2.797 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -17.103 -7.581 -4.875 1.00 0.00 C ATOM 1121 CZ TYR A 101 -17.169 -7.970 -3.516 1.00 0.00 C ATOM 1122 OH TYR A 101 -18.365 -8.072 -2.878 1.00 0.00 O ATOM 0 H TYR A 101 -10.972 -7.610 -6.042 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.804 -9.558 -5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.633 -7.030 -4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.405 -6.776 -6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.828 -8.271 -2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -15.792 -7.130 -6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -16.037 -8.548 -1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -18.011 -7.402 -5.432 1.00 0.00 H new ATOM 0 HH TYR A 101 -19.089 -7.862 -3.504 1.00 0.00 H new ATOM 1132 N LEU A 102 -13.064 -8.821 -8.369 1.00 0.00 N ATOM 1133 CA LEU A 102 -13.570 -9.341 -9.637 1.00 0.00 C ATOM 1134 C LEU A 102 -13.043 -10.756 -9.938 1.00 0.00 C ATOM 1135 O LEU A 102 -13.846 -11.655 -10.202 1.00 0.00 O ATOM 1136 CB LEU A 102 -13.241 -8.354 -10.773 1.00 0.00 C ATOM 1137 CG LEU A 102 -13.981 -7.000 -10.699 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -13.548 -6.135 -11.889 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -15.505 -7.164 -10.678 1.00 0.00 C ATOM 0 H LEU A 102 -12.398 -8.056 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.653 -9.434 -9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.168 -8.165 -10.769 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.478 -8.828 -11.725 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.712 -6.514 -9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.064 -5.176 -11.848 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.471 -5.970 -11.846 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.801 -6.643 -12.819 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -15.976 -6.182 -10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.829 -7.674 -11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.796 -7.753 -9.808 1.00 0.00 H new ATOM 1151 N LEU A 103 -11.719 -10.979 -9.892 1.00 0.00 N ATOM 1152 CA LEU A 103 -11.134 -12.299 -10.180 1.00 0.00 C ATOM 1153 C LEU A 103 -11.609 -13.382 -9.187 1.00 0.00 C ATOM 1154 O LEU A 103 -11.768 -14.541 -9.568 1.00 0.00 O ATOM 1155 CB LEU A 103 -9.594 -12.193 -10.324 1.00 0.00 C ATOM 1156 CG LEU A 103 -8.769 -12.582 -9.078 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -8.487 -14.093 -9.022 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -7.427 -11.844 -9.033 1.00 0.00 C ATOM 0 H LEU A 103 -11.033 -10.261 -9.658 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.507 -12.640 -11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.282 -12.827 -11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.344 -11.167 -10.595 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.377 -12.294 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.904 -14.322 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.430 -14.638 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.926 -14.392 -9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.876 -12.145 -8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.845 -12.093 -9.920 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.604 -10.769 -9.005 1.00 0.00 H new