USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 865 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 47 GLN : amide:sc= -0.234 K(o=-0.59,f=-1.7) USER MOD Set 1.2: A 100 MET CE :methyl -153:sc= -0.357 (180deg=-2.93!) USER MOD Set 2.1: A 69 CYS SG : rot -32:sc= -4.87! USER MOD Set 2.2: A 107 ASN :FLIP amide:sc= -5.89! C(o=-15!,f=-11!) USER MOD Set 3.1: A 56 GLN : amide:sc= -5.37! C(o=-6.2!,f=-7.3!) USER MOD Set 3.2: A 57 TYR OH : rot 142:sc= -0.84 USER MOD Set 4.1: A 52 ASN : amide:sc= -5.04! C(o=-7.8!,f=-18!) USER MOD Set 4.2: A 54 THR OG1 : rot 92:sc= -1.98! USER MOD Set 4.3: A 59 MET CE :methyl 170:sc= -0.82 (180deg=-0.000221) USER MOD Set 5.1: A 20 THR OG1 : rot 180:sc= -0.0345 USER MOD Set 5.2: A 98 THR OG1 : rot 138:sc= 0.0616 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.51 F(o=-7.2!,f=-2.5) USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.134 USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.0534 (180deg=-0.469) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -0.0248 (180deg=-0.278) USER MOD Single : A 34 ASN : amide:sc= -0.0828 X(o=-0.083,f=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -4.47! C(o=-5.2!,f=-4.5!) USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.113) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.0622 (180deg=-0.515) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= -0.205 (180deg=-1.02) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -2.63 K(o=-2.6,f=-7.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.11) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= -4.37! (180deg=-4.58!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 114:sc= 0.0791 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.1!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.499 F(o=-2.1,f=-0.5) USER MOD Single : A 84 ASN : amide:sc= -3.74! C(o=-3.7!,f=-3.6!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -49:sc= -0.146 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -140:sc= -0.0605 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 171:sc= -0.318 (180deg=-0.323) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 14 0.424 -7.612 -3.753 1.00 0.00 N ATOM 157 CA TYR A 14 0.499 -6.596 -4.795 1.00 0.00 C ATOM 158 C TYR A 14 -0.702 -6.701 -5.731 1.00 0.00 C ATOM 159 O TYR A 14 -1.431 -7.693 -5.710 1.00 0.00 O ATOM 160 CB TYR A 14 1.790 -6.764 -5.598 1.00 0.00 C ATOM 161 CG TYR A 14 2.959 -6.891 -4.652 1.00 0.00 C ATOM 162 CD1 TYR A 14 3.315 -8.146 -4.143 1.00 0.00 C ATOM 163 CD2 TYR A 14 3.688 -5.755 -4.283 1.00 0.00 C ATOM 164 CE1 TYR A 14 4.399 -8.264 -3.265 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.772 -5.872 -3.404 1.00 0.00 C ATOM 166 CZ TYR A 14 5.128 -7.127 -2.896 1.00 0.00 C ATOM 167 OH TYR A 14 6.197 -7.244 -2.031 1.00 0.00 O ATOM 0 HA TYR A 14 0.493 -5.615 -4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.724 -7.648 -6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.934 -5.909 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.753 -9.023 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.414 -4.787 -4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.673 -9.232 -2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.333 -4.995 -3.118 1.00 0.00 H new ATOM 0 HH TYR A 14 6.594 -6.361 -1.880 1.00 0.00 H new ATOM 177 N VAL A 15 -0.902 -5.675 -6.549 1.00 0.00 N ATOM 178 CA VAL A 15 -2.029 -5.657 -7.474 1.00 0.00 C ATOM 179 C VAL A 15 -1.611 -5.073 -8.820 1.00 0.00 C ATOM 180 O VAL A 15 -1.718 -5.733 -9.854 1.00 0.00 O ATOM 181 CB VAL A 15 -3.172 -4.827 -6.888 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.604 -3.768 -5.943 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.933 -4.138 -8.024 1.00 0.00 C ATOM 0 H VAL A 15 -0.304 -4.850 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.365 -6.683 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.849 -5.480 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.420 -3.177 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.060 -4.256 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.927 -3.115 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.748 -3.546 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.254 -3.486 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.339 -4.891 -8.699 1.00 0.00 H new ATOM 193 N ASN A 16 -1.137 -3.833 -8.799 1.00 0.00 N ATOM 194 CA ASN A 16 -0.733 -3.158 -10.028 1.00 0.00 C ATOM 195 C ASN A 16 0.549 -3.771 -10.581 1.00 0.00 C ATOM 196 O ASN A 16 0.804 -3.721 -11.784 1.00 0.00 O ATOM 197 CB ASN A 16 -0.515 -1.669 -9.758 1.00 0.00 C ATOM 198 CG ASN A 16 -1.839 -1.007 -9.391 1.00 0.00 C ATOM 199 OD1 ASN A 16 -1.921 -0.296 -8.300 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.824 -1.141 -10.118 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.023 -3.277 -7.951 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.527 -3.281 -10.765 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.203 -1.539 -8.948 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.091 -1.189 -10.640 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.757 -1.697 -10.970 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.707 -0.696 -9.868 1.00 0.00 H new ATOM 207 N GLY A 17 1.354 -4.349 -9.695 1.00 0.00 N ATOM 208 CA GLY A 17 2.609 -4.968 -10.107 1.00 0.00 C ATOM 209 C GLY A 17 3.545 -5.146 -8.917 1.00 0.00 C ATOM 210 O GLY A 17 3.221 -4.754 -7.796 1.00 0.00 O ATOM 0 H GLY A 17 1.162 -4.402 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.408 -5.937 -10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.092 -4.351 -10.865 1.00 0.00 H new ATOM 214 N ARG A 18 4.708 -5.738 -9.169 1.00 0.00 N ATOM 215 CA ARG A 18 5.683 -5.968 -8.109 1.00 0.00 C ATOM 216 C ARG A 18 6.751 -4.879 -8.119 1.00 0.00 C ATOM 217 O ARG A 18 7.096 -4.344 -9.172 1.00 0.00 O ATOM 218 CB ARG A 18 6.342 -7.336 -8.294 1.00 0.00 C ATOM 219 CG ARG A 18 5.294 -8.350 -8.755 1.00 0.00 C ATOM 220 CD ARG A 18 4.217 -8.498 -7.678 1.00 0.00 C ATOM 221 NE ARG A 18 4.834 -8.712 -6.374 1.00 0.00 N ATOM 222 CZ ARG A 18 5.273 -9.913 -6.010 1.00 0.00 C ATOM 223 NH1 ARG A 18 5.157 -10.925 -6.826 1.00 0.00 N ATOM 224 NH2 ARG A 18 5.821 -10.080 -4.838 1.00 0.00 N ATOM 0 H ARG A 18 4.997 -6.065 -10.091 1.00 0.00 H new ATOM 0 HA ARG A 18 5.164 -5.943 -7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.145 -7.268 -9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.793 -7.664 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.843 -8.023 -9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.765 -9.314 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.594 -7.604 -7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.563 -9.335 -7.921 1.00 0.00 H new ATOM 0 HE ARG A 18 4.930 -7.927 -5.730 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.730 -10.794 -7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.494 -11.846 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.913 -9.289 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.158 -11.002 -4.559 1.00 0.00 H new ATOM 238 N PRO A 19 7.271 -4.548 -6.969 1.00 0.00 N ATOM 239 CA PRO A 19 8.330 -3.509 -6.831 1.00 0.00 C ATOM 240 C PRO A 19 9.667 -3.969 -7.404 1.00 0.00 C ATOM 241 O PRO A 19 10.034 -5.138 -7.290 1.00 0.00 O ATOM 242 CB PRO A 19 8.426 -3.295 -5.320 1.00 0.00 C ATOM 243 CG PRO A 19 7.919 -4.557 -4.705 1.00 0.00 C ATOM 244 CD PRO A 19 6.883 -5.143 -5.669 1.00 0.00 C ATOM 0 HA PRO A 19 8.088 -2.600 -7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.454 -3.096 -5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.829 -2.438 -5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.735 -5.261 -4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.470 -4.358 -3.732 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.924 -6.232 -5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.867 -4.869 -5.386 1.00 0.00 H new ATOM 252 N THR A 20 10.391 -3.040 -8.022 1.00 0.00 N ATOM 253 CA THR A 20 11.685 -3.360 -8.612 1.00 0.00 C ATOM 254 C THR A 20 12.755 -3.466 -7.530 1.00 0.00 C ATOM 255 O THR A 20 13.877 -3.898 -7.794 1.00 0.00 O ATOM 256 CB THR A 20 12.080 -2.279 -9.621 1.00 0.00 C ATOM 257 OG1 THR A 20 12.259 -1.043 -8.943 1.00 0.00 O ATOM 258 CG2 THR A 20 10.980 -2.131 -10.672 1.00 0.00 C ATOM 0 H THR A 20 10.105 -2.066 -8.126 1.00 0.00 H new ATOM 0 HA THR A 20 11.604 -4.320 -9.122 1.00 0.00 H new ATOM 0 HB THR A 20 13.011 -2.564 -10.111 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.513 -0.350 -9.588 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.263 -1.361 -11.389 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.844 -3.079 -11.192 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.047 -1.847 -10.185 1.00 0.00 H new ATOM 266 N PHE A 21 12.400 -3.068 -6.314 1.00 0.00 N ATOM 267 CA PHE A 21 13.337 -3.120 -5.197 1.00 0.00 C ATOM 268 C PHE A 21 12.831 -4.072 -4.119 1.00 0.00 C ATOM 269 O PHE A 21 11.637 -4.110 -3.822 1.00 0.00 O ATOM 270 CB PHE A 21 13.519 -1.722 -4.603 1.00 0.00 C ATOM 271 CG PHE A 21 14.619 -1.753 -3.569 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.960 -1.758 -3.972 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.297 -1.776 -2.207 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.979 -1.787 -3.014 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.317 -1.805 -1.248 1.00 0.00 C ATOM 276 CZ PHE A 21 16.658 -1.810 -1.651 1.00 0.00 C ATOM 0 H PHE A 21 11.476 -2.708 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 21 14.296 -3.484 -5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.766 -1.010 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.588 -1.384 -4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.208 -1.739 -5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.263 -1.771 -1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.013 -1.792 -3.325 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.069 -1.824 -0.197 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.444 -1.832 -0.911 1.00 0.00 H new ATOM 286 N VAL A 22 13.746 -4.840 -3.535 1.00 0.00 N ATOM 287 CA VAL A 22 13.378 -5.792 -2.493 1.00 0.00 C ATOM 288 C VAL A 22 14.394 -5.761 -1.355 1.00 0.00 C ATOM 289 O VAL A 22 15.598 -5.886 -1.582 1.00 0.00 O ATOM 290 CB VAL A 22 13.308 -7.204 -3.078 1.00 0.00 C ATOM 291 CG1 VAL A 22 12.291 -8.033 -2.293 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.878 -7.127 -4.545 1.00 0.00 C ATOM 0 H VAL A 22 14.740 -4.822 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 22 12.401 -5.512 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 22 14.289 -7.674 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.242 -9.039 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.596 -8.088 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.309 -7.564 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.828 -8.133 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.897 -6.657 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.603 -6.537 -5.106 1.00 0.00 H new ATOM 302 N GLY A 23 13.901 -5.593 -0.133 1.00 0.00 N ATOM 303 CA GLY A 23 14.776 -5.548 1.032 1.00 0.00 C ATOM 304 C GLY A 23 14.593 -6.787 1.900 1.00 0.00 C ATOM 305 O GLY A 23 15.060 -7.873 1.554 1.00 0.00 O ATOM 0 H GLY A 23 12.908 -5.487 0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.814 -5.476 0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.562 -4.654 1.618 1.00 0.00 H new ATOM 309 N GLU A 24 13.913 -6.620 3.030 1.00 0.00 N ATOM 310 CA GLU A 24 13.674 -7.735 3.938 1.00 0.00 C ATOM 311 C GLU A 24 12.332 -7.572 4.647 1.00 0.00 C ATOM 312 O GLU A 24 11.467 -8.443 4.564 1.00 0.00 O ATOM 313 CB GLU A 24 14.795 -7.814 4.975 1.00 0.00 C ATOM 314 CG GLU A 24 14.645 -9.097 5.794 1.00 0.00 C ATOM 315 CD GLU A 24 15.728 -9.160 6.867 1.00 0.00 C ATOM 316 OE1 GLU A 24 16.557 -8.267 6.896 1.00 0.00 O ATOM 317 OE2 GLU A 24 15.711 -10.102 7.642 1.00 0.00 O ATOM 0 H GLU A 24 13.520 -5.730 3.337 1.00 0.00 H new ATOM 0 HA GLU A 24 13.654 -8.656 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.765 -7.798 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.759 -6.945 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.659 -9.129 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.718 -9.966 5.140 1.00 0.00 H new ATOM 324 N GLU A 25 12.169 -6.452 5.342 1.00 0.00 N ATOM 325 CA GLU A 25 10.924 -6.182 6.052 1.00 0.00 C ATOM 326 C GLU A 25 9.992 -5.331 5.196 1.00 0.00 C ATOM 327 O GLU A 25 10.381 -4.276 4.698 1.00 0.00 O ATOM 328 CB GLU A 25 11.220 -5.453 7.365 1.00 0.00 C ATOM 329 CG GLU A 25 9.940 -5.364 8.198 1.00 0.00 C ATOM 330 CD GLU A 25 9.531 -6.754 8.674 1.00 0.00 C ATOM 331 OE1 GLU A 25 10.395 -7.612 8.751 1.00 0.00 O ATOM 332 OE2 GLU A 25 8.358 -6.941 8.953 1.00 0.00 O ATOM 0 H GLU A 25 12.876 -5.722 5.429 1.00 0.00 H new ATOM 0 HA GLU A 25 10.436 -7.133 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.993 -5.983 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.604 -4.454 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.098 -4.709 9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.139 -4.924 7.604 1.00 0.00 H new ATOM 339 N VAL A 26 8.759 -5.799 5.029 1.00 0.00 N ATOM 340 CA VAL A 26 7.779 -5.072 4.231 1.00 0.00 C ATOM 341 C VAL A 26 6.615 -4.609 5.102 1.00 0.00 C ATOM 342 O VAL A 26 6.108 -5.364 5.930 1.00 0.00 O ATOM 343 CB VAL A 26 7.252 -5.967 3.108 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.593 -5.102 2.032 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.416 -6.746 2.491 1.00 0.00 C ATOM 0 H VAL A 26 8.417 -6.671 5.432 1.00 0.00 H new ATOM 0 HA VAL A 26 8.267 -4.197 3.801 1.00 0.00 H new ATOM 0 HB VAL A 26 6.519 -6.665 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.218 -5.740 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.765 -4.544 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.326 -4.405 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.043 -7.385 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.148 -6.047 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.888 -7.362 3.256 1.00 0.00 H new ATOM 355 N THR A 27 6.199 -3.361 4.909 1.00 0.00 N ATOM 356 CA THR A 27 5.103 -2.802 5.690 1.00 0.00 C ATOM 357 C THR A 27 4.298 -1.815 4.851 1.00 0.00 C ATOM 358 O THR A 27 4.860 -1.040 4.077 1.00 0.00 O ATOM 359 CB THR A 27 5.654 -2.092 6.929 1.00 0.00 C ATOM 360 OG1 THR A 27 6.902 -2.669 7.287 1.00 0.00 O ATOM 361 CG2 THR A 27 4.668 -2.245 8.088 1.00 0.00 C ATOM 0 H THR A 27 6.602 -2.722 4.223 1.00 0.00 H new ATOM 0 HA THR A 27 4.449 -3.617 6.000 1.00 0.00 H new ATOM 0 HB THR A 27 5.792 -1.033 6.710 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.030 -2.597 8.256 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.061 -1.739 8.970 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.711 -1.802 7.812 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.528 -3.303 8.309 1.00 0.00 H new ATOM 369 N LYS A 28 2.979 -1.849 5.008 1.00 0.00 N ATOM 370 CA LYS A 28 2.107 -0.953 4.257 1.00 0.00 C ATOM 371 C LYS A 28 1.902 0.354 5.015 1.00 0.00 C ATOM 372 O LYS A 28 1.687 0.353 6.227 1.00 0.00 O ATOM 373 CB LYS A 28 0.754 -1.623 4.013 1.00 0.00 C ATOM 374 CG LYS A 28 0.087 -1.931 5.355 1.00 0.00 C ATOM 375 CD LYS A 28 -1.188 -2.742 5.118 1.00 0.00 C ATOM 376 CE LYS A 28 -1.988 -2.829 6.419 1.00 0.00 C ATOM 377 NZ LYS A 28 -1.106 -3.330 7.511 1.00 0.00 N ATOM 0 H LYS A 28 2.493 -2.482 5.643 1.00 0.00 H new ATOM 0 HA LYS A 28 2.580 -0.734 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.115 -0.970 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.889 -2.542 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.772 -2.489 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.151 -1.004 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.790 -2.274 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.935 -3.742 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.387 -1.849 6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.841 -3.496 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.691 -3.708 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.490 -4.083 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.521 -2.549 7.870 1.00 0.00 H new ATOM 391 N GLY A 29 1.968 1.468 4.292 1.00 0.00 N ATOM 392 CA GLY A 29 1.783 2.777 4.906 1.00 0.00 C ATOM 393 C GLY A 29 0.304 3.068 5.132 1.00 0.00 C ATOM 394 O GLY A 29 -0.131 3.286 6.264 1.00 0.00 O ATOM 0 H GLY A 29 2.147 1.490 3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.315 2.815 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.216 3.547 4.267 1.00 0.00 H new ATOM 398 N PHE A 30 -0.466 3.072 4.049 1.00 0.00 N ATOM 399 CA PHE A 30 -1.898 3.337 4.141 1.00 0.00 C ATOM 400 C PHE A 30 -2.647 2.086 4.589 1.00 0.00 C ATOM 401 O PHE A 30 -2.523 1.024 3.979 1.00 0.00 O ATOM 402 CB PHE A 30 -2.431 3.796 2.783 1.00 0.00 C ATOM 403 CG PHE A 30 -1.688 5.035 2.344 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.096 6.294 2.800 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.593 4.924 1.479 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.408 7.443 2.393 1.00 0.00 C ATOM 407 CE2 PHE A 30 0.095 6.074 1.071 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.312 7.333 1.528 1.00 0.00 C ATOM 0 H PHE A 30 -0.126 2.896 3.104 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.057 4.124 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.307 3.004 2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.499 4.004 2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.942 6.379 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.279 3.953 1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.722 8.414 2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.940 5.989 0.404 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.219 8.219 1.214 1.00 0.00 H new ATOM 418 N GLU A 31 -3.425 2.221 5.658 1.00 0.00 N ATOM 419 CA GLU A 31 -4.200 1.098 6.174 1.00 0.00 C ATOM 420 C GLU A 31 -5.362 0.776 5.240 1.00 0.00 C ATOM 421 O GLU A 31 -5.784 -0.376 5.134 1.00 0.00 O ATOM 422 CB GLU A 31 -4.738 1.433 7.566 1.00 0.00 C ATOM 423 CG GLU A 31 -5.381 0.186 8.177 1.00 0.00 C ATOM 424 CD GLU A 31 -5.990 0.526 9.533 1.00 0.00 C ATOM 425 OE1 GLU A 31 -5.944 1.685 9.908 1.00 0.00 O ATOM 426 OE2 GLU A 31 -6.493 -0.380 10.178 1.00 0.00 O ATOM 0 H GLU A 31 -3.535 3.090 6.181 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.548 0.227 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.929 1.788 8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.470 2.238 7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.151 -0.200 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.634 -0.600 8.291 1.00 0.00 H new ATOM 433 N LYS A 32 -5.875 1.799 4.564 1.00 0.00 N ATOM 434 CA LYS A 32 -6.991 1.613 3.644 1.00 0.00 C ATOM 435 C LYS A 32 -6.565 0.758 2.454 1.00 0.00 C ATOM 436 O LYS A 32 -5.401 0.765 2.057 1.00 0.00 O ATOM 437 CB LYS A 32 -7.491 2.970 3.147 1.00 0.00 C ATOM 438 CG LYS A 32 -8.857 2.798 2.479 1.00 0.00 C ATOM 439 CD LYS A 32 -9.942 2.701 3.553 1.00 0.00 C ATOM 440 CE LYS A 32 -11.316 2.905 2.911 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.500 4.347 2.582 1.00 0.00 N ATOM 0 H LYS A 32 -5.538 2.759 4.635 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.795 1.104 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.567 3.669 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.779 3.395 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.059 3.641 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.861 1.900 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.898 1.728 4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.774 3.453 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.401 2.301 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.100 2.573 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.515 4.555 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.097 4.931 3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.017 4.563 1.687 1.00 0.00 H new ATOM 455 N ASP A 33 -7.518 0.022 1.890 1.00 0.00 N ATOM 456 CA ASP A 33 -7.230 -0.832 0.743 1.00 0.00 C ATOM 457 C ASP A 33 -6.133 -1.835 1.085 1.00 0.00 C ATOM 458 O ASP A 33 -5.689 -1.918 2.230 1.00 0.00 O ATOM 459 CB ASP A 33 -6.793 0.024 -0.447 1.00 0.00 C ATOM 460 CG ASP A 33 -7.921 0.962 -0.858 1.00 0.00 C ATOM 461 OD1 ASP A 33 -9.052 0.695 -0.488 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.638 1.936 -1.538 1.00 0.00 O ATOM 0 H ASP A 33 -8.488 -0.001 2.205 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.136 -1.379 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.907 0.601 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.519 -0.617 -1.285 1.00 0.00 H new ATOM 467 N ASN A 34 -5.699 -2.593 0.084 1.00 0.00 N ATOM 468 CA ASN A 34 -4.656 -3.590 0.291 1.00 0.00 C ATOM 469 C ASN A 34 -3.452 -2.969 0.992 1.00 0.00 C ATOM 470 O ASN A 34 -2.797 -3.615 1.810 1.00 0.00 O ATOM 471 CB ASN A 34 -4.220 -4.178 -1.052 1.00 0.00 C ATOM 472 CG ASN A 34 -3.409 -5.450 -0.827 1.00 0.00 C ATOM 473 OD1 ASN A 34 -3.966 -6.547 -0.813 1.00 0.00 O ATOM 474 ND2 ASN A 34 -2.119 -5.367 -0.647 1.00 0.00 N ATOM 0 H ASN A 34 -6.050 -2.537 -0.872 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.059 -4.384 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.095 -4.399 -1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.624 -3.449 -1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.570 -6.213 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.660 -4.456 -0.659 1.00 0.00 H new ATOM 481 N GLY A 35 -3.166 -1.713 0.664 1.00 0.00 N ATOM 482 CA GLY A 35 -2.038 -1.014 1.270 1.00 0.00 C ATOM 483 C GLY A 35 -1.540 0.105 0.361 1.00 0.00 C ATOM 484 O GLY A 35 -0.865 1.029 0.812 1.00 0.00 O ATOM 0 H GLY A 35 -3.695 -1.162 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.336 -0.600 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.229 -1.719 1.463 1.00 0.00 H new ATOM 488 N LEU A 36 -1.877 0.012 -0.920 1.00 0.00 N ATOM 489 CA LEU A 36 -1.460 1.023 -1.885 1.00 0.00 C ATOM 490 C LEU A 36 0.062 1.093 -1.965 1.00 0.00 C ATOM 491 O LEU A 36 0.667 0.586 -2.910 1.00 0.00 O ATOM 492 CB LEU A 36 -2.015 2.391 -1.481 1.00 0.00 C ATOM 493 CG LEU A 36 -3.488 2.250 -1.095 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.079 3.634 -0.821 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.255 1.589 -2.244 1.00 0.00 C ATOM 0 H LEU A 36 -2.434 -0.747 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.851 0.747 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.445 2.793 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.910 3.096 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.571 1.635 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.129 3.533 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.534 4.107 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.996 4.249 -1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.305 1.488 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.171 2.205 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.835 0.603 -2.442 1.00 0.00 H new ATOM 507 N LEU A 37 0.675 1.725 -0.968 1.00 0.00 N ATOM 508 CA LEU A 37 2.127 1.856 -0.938 1.00 0.00 C ATOM 509 C LEU A 37 2.733 0.879 0.063 1.00 0.00 C ATOM 510 O LEU A 37 2.343 0.848 1.230 1.00 0.00 O ATOM 511 CB LEU A 37 2.515 3.286 -0.556 1.00 0.00 C ATOM 512 CG LEU A 37 4.037 3.437 -0.622 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.465 3.672 -2.071 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.468 4.627 0.236 1.00 0.00 C ATOM 0 H LEU A 37 0.193 2.151 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 37 2.513 1.627 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.039 3.996 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.159 3.515 0.449 1.00 0.00 H new ATOM 0 HG LEU A 37 4.508 2.528 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.549 3.779 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.158 2.824 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.994 4.580 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.552 4.735 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.996 5.535 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.164 4.460 1.269 1.00 0.00 H new ATOM 526 N PHE A 38 3.691 0.084 -0.401 1.00 0.00 N ATOM 527 CA PHE A 38 4.352 -0.886 0.464 1.00 0.00 C ATOM 528 C PHE A 38 5.754 -0.411 0.828 1.00 0.00 C ATOM 529 O PHE A 38 6.592 -0.190 -0.047 1.00 0.00 O ATOM 530 CB PHE A 38 4.436 -2.242 -0.240 1.00 0.00 C ATOM 531 CG PHE A 38 3.056 -2.671 -0.674 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.141 -3.148 0.272 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.689 -2.590 -2.023 1.00 0.00 C ATOM 534 CE1 PHE A 38 0.861 -3.546 -0.130 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.409 -2.986 -2.425 1.00 0.00 C ATOM 536 CZ PHE A 38 0.495 -3.465 -1.480 1.00 0.00 C ATOM 0 H PHE A 38 4.025 0.092 -1.365 1.00 0.00 H new ATOM 0 HA PHE A 38 3.767 -0.988 1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.096 -2.174 -1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.865 -2.986 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.423 -3.209 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.394 -2.222 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.156 -3.915 0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.126 -2.922 -3.465 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.492 -3.772 -1.791 1.00 0.00 H new ATOM 546 N ARG A 39 6.004 -0.255 2.124 1.00 0.00 N ATOM 547 CA ARG A 39 7.310 0.194 2.591 1.00 0.00 C ATOM 548 C ARG A 39 8.324 -0.943 2.529 1.00 0.00 C ATOM 549 O ARG A 39 8.126 -1.999 3.131 1.00 0.00 O ATOM 550 CB ARG A 39 7.204 0.706 4.029 1.00 0.00 C ATOM 551 CG ARG A 39 8.549 1.290 4.463 1.00 0.00 C ATOM 552 CD ARG A 39 8.400 1.950 5.835 1.00 0.00 C ATOM 553 NE ARG A 39 8.167 0.938 6.859 1.00 0.00 N ATOM 554 CZ ARG A 39 7.653 1.262 8.041 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.348 2.504 8.301 1.00 0.00 N ATOM 556 NH2 ARG A 39 7.454 0.338 8.940 1.00 0.00 N ATOM 0 H ARG A 39 5.325 -0.431 2.864 1.00 0.00 H new ATOM 0 HA ARG A 39 7.647 1.002 1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.426 1.466 4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.916 -0.107 4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.302 0.503 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.893 2.021 3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.299 2.518 6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.571 2.658 5.818 1.00 0.00 H new ATOM 0 HE ARG A 39 8.403 -0.035 6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.504 3.226 7.597 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.953 2.753 9.208 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.693 -0.632 8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.060 0.586 9.847 1.00 0.00 H new ATOM 570 N ILE A 40 9.411 -0.721 1.796 1.00 0.00 N ATOM 571 CA ILE A 40 10.449 -1.736 1.660 1.00 0.00 C ATOM 572 C ILE A 40 11.692 -1.339 2.449 1.00 0.00 C ATOM 573 O ILE A 40 12.189 -0.221 2.320 1.00 0.00 O ATOM 574 CB ILE A 40 10.814 -1.912 0.184 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.544 -2.181 -0.626 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.774 -3.093 0.033 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.866 -2.110 -2.120 1.00 0.00 C ATOM 0 H ILE A 40 9.595 0.146 1.291 1.00 0.00 H new ATOM 0 HA ILE A 40 10.067 -2.677 2.055 1.00 0.00 H new ATOM 0 HB ILE A 40 11.294 -1.005 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.142 -3.163 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.777 -1.449 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.034 -3.218 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.679 -2.903 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.294 -4.001 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.961 -2.302 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.248 -1.119 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.619 -2.859 -2.366 1.00 0.00 H new ATOM 589 N VAL A 41 12.187 -2.262 3.267 1.00 0.00 N ATOM 590 CA VAL A 41 13.367 -1.992 4.082 1.00 0.00 C ATOM 591 C VAL A 41 14.355 -3.151 3.996 1.00 0.00 C ATOM 592 O VAL A 41 13.981 -4.312 4.165 1.00 0.00 O ATOM 593 CB VAL A 41 12.955 -1.775 5.539 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.172 -1.336 6.354 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.878 -0.690 5.607 1.00 0.00 C ATOM 0 H VAL A 41 11.794 -3.196 3.383 1.00 0.00 H new ATOM 0 HA VAL A 41 13.850 -1.091 3.703 1.00 0.00 H new ATOM 0 HB VAL A 41 12.561 -2.706 5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.878 -1.181 7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.940 -2.108 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.567 -0.405 5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.583 -0.534 6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.272 0.240 5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.010 -1.002 5.026 1.00 0.00 H new ATOM 605 N ASN A 42 15.616 -2.828 3.733 1.00 0.00 N ATOM 606 CA ASN A 42 16.654 -3.848 3.643 1.00 0.00 C ATOM 607 C ASN A 42 17.645 -3.705 4.793 1.00 0.00 C ATOM 608 O ASN A 42 18.534 -2.854 4.758 1.00 0.00 O ATOM 609 CB ASN A 42 17.394 -3.724 2.310 1.00 0.00 C ATOM 610 CG ASN A 42 18.101 -5.036 1.981 1.00 0.00 C ATOM 611 OD1 ASN A 42 17.516 -6.169 2.260 1.00 0.00 O flip ATOM 612 ND2 ASN A 42 19.215 -5.027 1.459 1.00 0.00 N flip ATOM 0 H ASN A 42 15.943 -1.874 3.579 1.00 0.00 H new ATOM 0 HA ASN A 42 16.181 -4.828 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.691 -3.471 1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.120 -2.913 2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.669 -4.140 1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 42 19.684 -5.907 1.243 1.00 0.00 H new ATOM 619 N LYS A 43 17.487 -4.545 5.812 1.00 0.00 N ATOM 620 CA LYS A 43 18.359 -4.487 6.980 1.00 0.00 C ATOM 621 C LYS A 43 19.825 -4.542 6.561 1.00 0.00 C ATOM 622 O LYS A 43 20.693 -3.984 7.232 1.00 0.00 O ATOM 623 CB LYS A 43 18.051 -5.654 7.919 1.00 0.00 C ATOM 624 CG LYS A 43 16.631 -5.508 8.467 1.00 0.00 C ATOM 625 CD LYS A 43 16.385 -6.571 9.540 1.00 0.00 C ATOM 626 CE LYS A 43 14.930 -6.501 10.003 1.00 0.00 C ATOM 627 NZ LYS A 43 14.724 -5.264 10.810 1.00 0.00 N ATOM 0 H LYS A 43 16.769 -5.268 5.853 1.00 0.00 H new ATOM 0 HA LYS A 43 18.177 -3.545 7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.151 -6.599 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.768 -5.673 8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.493 -4.512 8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.906 -5.616 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.604 -7.562 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.055 -6.412 10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.263 -6.501 9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.684 -7.381 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.789 -5.298 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.462 -5.199 11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.777 -4.432 10.189 1.00 0.00 H new ATOM 641 N LYS A 44 20.093 -5.219 5.450 1.00 0.00 N ATOM 642 CA LYS A 44 21.459 -5.345 4.956 1.00 0.00 C ATOM 643 C LYS A 44 22.130 -3.977 4.874 1.00 0.00 C ATOM 644 O LYS A 44 23.182 -3.754 5.473 1.00 0.00 O ATOM 645 CB LYS A 44 21.457 -5.999 3.573 1.00 0.00 C ATOM 646 CG LYS A 44 22.892 -6.343 3.168 1.00 0.00 C ATOM 647 CD LYS A 44 22.874 -7.199 1.900 1.00 0.00 C ATOM 648 CE LYS A 44 22.310 -6.380 0.738 1.00 0.00 C ATOM 649 NZ LYS A 44 22.728 -6.996 -0.553 1.00 0.00 N ATOM 0 H LYS A 44 19.389 -5.686 4.878 1.00 0.00 H new ATOM 0 HA LYS A 44 22.019 -5.969 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.846 -6.901 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.013 -5.324 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.461 -5.430 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.390 -6.880 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.882 -7.538 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.267 -8.090 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.222 -6.342 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 44 22.668 -5.352 0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 22.345 -6.439 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.766 -7.010 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 22.365 -7.969 -0.607 1.00 0.00 H new ATOM 663 N LYS A 45 21.515 -3.067 4.126 1.00 0.00 N ATOM 664 CA LYS A 45 22.058 -1.722 3.979 1.00 0.00 C ATOM 665 C LYS A 45 21.191 -0.708 4.718 1.00 0.00 C ATOM 666 O LYS A 45 21.505 0.481 4.757 1.00 0.00 O ATOM 667 CB LYS A 45 22.132 -1.350 2.497 1.00 0.00 C ATOM 668 CG LYS A 45 23.165 -2.240 1.800 1.00 0.00 C ATOM 669 CD LYS A 45 23.336 -1.785 0.349 1.00 0.00 C ATOM 670 CE LYS A 45 24.308 -2.723 -0.368 1.00 0.00 C ATOM 671 NZ LYS A 45 25.636 -2.673 0.306 1.00 0.00 N ATOM 0 H LYS A 45 20.648 -3.234 3.616 1.00 0.00 H new ATOM 0 HA LYS A 45 23.059 -1.706 4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.155 -1.474 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.407 -0.301 2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 45 24.119 -2.186 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.843 -3.281 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.372 -1.785 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 45 23.712 -0.762 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.921 -3.742 -0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.408 -2.431 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.364 -3.052 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 25.866 -1.688 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 25.606 -3.244 1.175 1.00 0.00 H new ATOM 685 N LYS A 46 20.098 -1.187 5.304 1.00 0.00 N ATOM 686 CA LYS A 46 19.190 -0.314 6.038 1.00 0.00 C ATOM 687 C LYS A 46 18.709 0.831 5.151 1.00 0.00 C ATOM 688 O LYS A 46 18.503 1.949 5.624 1.00 0.00 O ATOM 689 CB LYS A 46 19.894 0.255 7.271 1.00 0.00 C ATOM 690 CG LYS A 46 19.303 -0.376 8.534 1.00 0.00 C ATOM 691 CD LYS A 46 17.955 0.274 8.847 1.00 0.00 C ATOM 692 CE LYS A 46 17.408 -0.294 10.158 1.00 0.00 C ATOM 693 NZ LYS A 46 17.662 -1.761 10.208 1.00 0.00 N ATOM 0 H LYS A 46 19.821 -2.169 5.285 1.00 0.00 H new ATOM 0 HA LYS A 46 18.327 -0.902 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.964 0.053 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.775 1.338 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.177 -1.449 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.986 -0.244 9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.070 1.355 8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.252 0.087 8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.884 0.197 11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.339 -0.096 10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.021 -2.201 10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.496 -2.174 9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.647 -1.933 10.492 1.00 0.00 H new ATOM 707 N GLN A 47 18.531 0.545 3.866 1.00 0.00 N ATOM 708 CA GLN A 47 18.073 1.562 2.925 1.00 0.00 C ATOM 709 C GLN A 47 16.566 1.460 2.719 1.00 0.00 C ATOM 710 O GLN A 47 16.054 0.412 2.325 1.00 0.00 O ATOM 711 CB GLN A 47 18.787 1.396 1.583 1.00 0.00 C ATOM 712 CG GLN A 47 18.446 0.029 0.987 1.00 0.00 C ATOM 713 CD GLN A 47 19.499 -0.369 -0.042 1.00 0.00 C ATOM 714 OE1 GLN A 47 19.896 -1.531 -0.108 1.00 0.00 O ATOM 715 NE2 GLN A 47 19.976 0.534 -0.854 1.00 0.00 N ATOM 0 H GLN A 47 18.695 -0.374 3.454 1.00 0.00 H new ATOM 0 HA GLN A 47 18.307 2.543 3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.485 2.188 0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.865 1.486 1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.397 -0.720 1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.462 0.062 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.645 1.497 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.680 0.277 -1.546 1.00 0.00 H new ATOM 724 N TRP A 48 15.860 2.553 2.989 1.00 0.00 N ATOM 725 CA TRP A 48 14.411 2.573 2.830 1.00 0.00 C ATOM 726 C TRP A 48 14.034 2.861 1.380 1.00 0.00 C ATOM 727 O TRP A 48 14.690 3.652 0.702 1.00 0.00 O ATOM 728 CB TRP A 48 13.800 3.640 3.739 1.00 0.00 C ATOM 729 CG TRP A 48 13.930 3.216 5.167 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.708 2.200 5.609 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.282 3.778 6.345 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.577 2.102 6.982 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.709 3.052 7.483 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.374 4.834 6.534 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.251 3.365 8.764 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.910 5.151 7.822 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.348 4.418 8.934 1.00 0.00 C ATOM 0 H TRP A 48 16.264 3.430 3.317 1.00 0.00 H new ATOM 0 HA TRP A 48 14.021 1.593 3.107 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.303 4.595 3.585 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.750 3.789 3.487 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.329 1.569 4.990 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.062 1.412 7.555 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.031 5.405 5.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.592 2.798 9.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.212 5.964 7.956 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.988 4.667 9.921 1.00 0.00 H new ATOM 748 N ALA A 49 12.971 2.215 0.911 1.00 0.00 N ATOM 749 CA ALA A 49 12.509 2.411 -0.459 1.00 0.00 C ATOM 750 C ALA A 49 10.988 2.336 -0.524 1.00 0.00 C ATOM 751 O ALA A 49 10.355 1.674 0.298 1.00 0.00 O ATOM 752 CB ALA A 49 13.115 1.344 -1.372 1.00 0.00 C ATOM 0 H ALA A 49 12.416 1.555 1.456 1.00 0.00 H new ATOM 0 HA ALA A 49 12.828 3.398 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.765 1.497 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.202 1.418 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.810 0.355 -1.029 1.00 0.00 H new ATOM 758 N TYR A 50 10.406 3.018 -1.505 1.00 0.00 N ATOM 759 CA TYR A 50 8.956 3.022 -1.660 1.00 0.00 C ATOM 760 C TYR A 50 8.565 2.703 -3.099 1.00 0.00 C ATOM 761 O TYR A 50 9.196 3.177 -4.044 1.00 0.00 O ATOM 762 CB TYR A 50 8.392 4.388 -1.269 1.00 0.00 C ATOM 763 CG TYR A 50 8.518 4.574 0.224 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.676 3.867 1.091 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.478 5.451 0.743 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.793 4.038 2.475 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.596 5.622 2.127 1.00 0.00 C ATOM 768 CZ TYR A 50 8.754 4.915 2.993 1.00 0.00 C ATOM 769 OH TYR A 50 8.869 5.083 4.358 1.00 0.00 O ATOM 0 H TYR A 50 10.910 3.570 -2.199 1.00 0.00 H new ATOM 0 HA TYR A 50 8.541 2.255 -1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.930 5.179 -1.792 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.347 4.461 -1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.936 3.189 0.691 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.128 5.996 0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.142 3.494 3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.336 6.299 2.527 1.00 0.00 H new ATOM 0 HH TYR A 50 9.584 5.725 4.549 1.00 0.00 H new ATOM 779 N TYR A 51 7.521 1.896 -3.257 1.00 0.00 N ATOM 780 CA TYR A 51 7.043 1.529 -4.585 1.00 0.00 C ATOM 781 C TYR A 51 5.583 1.938 -4.757 1.00 0.00 C ATOM 782 O TYR A 51 4.709 1.475 -4.025 1.00 0.00 O ATOM 783 CB TYR A 51 7.181 0.020 -4.790 1.00 0.00 C ATOM 784 CG TYR A 51 6.372 -0.402 -5.993 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.750 0.018 -7.273 1.00 0.00 C ATOM 786 CD2 TYR A 51 5.244 -1.215 -5.827 1.00 0.00 C ATOM 787 CE1 TYR A 51 6.000 -0.374 -8.388 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.494 -1.607 -6.943 1.00 0.00 C ATOM 789 CZ TYR A 51 4.872 -1.187 -8.223 1.00 0.00 C ATOM 790 OH TYR A 51 4.132 -1.573 -9.323 1.00 0.00 O ATOM 0 H TYR A 51 6.993 1.486 -2.487 1.00 0.00 H new ATOM 0 HA TYR A 51 7.646 2.052 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.229 -0.244 -4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.837 -0.511 -3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.620 0.645 -7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.953 -1.540 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.291 -0.049 -9.376 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.624 -2.234 -6.816 1.00 0.00 H new ATOM 0 HH TYR A 51 3.384 -2.136 -9.033 1.00 0.00 H new ATOM 800 N ASN A 52 5.328 2.809 -5.728 1.00 0.00 N ATOM 801 CA ASN A 52 3.970 3.281 -5.980 1.00 0.00 C ATOM 802 C ASN A 52 3.192 2.267 -6.814 1.00 0.00 C ATOM 803 O ASN A 52 3.701 1.744 -7.805 1.00 0.00 O ATOM 804 CB ASN A 52 4.010 4.622 -6.712 1.00 0.00 C ATOM 805 CG ASN A 52 2.591 5.120 -6.965 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.630 4.370 -6.800 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.402 6.351 -7.358 1.00 0.00 N ATOM 0 H ASN A 52 6.037 3.200 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 52 3.467 3.405 -5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.561 5.353 -6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.540 4.514 -7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.456 6.692 -7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.200 6.971 -7.494 1.00 0.00 H new ATOM 814 N ASP A 53 1.957 1.998 -6.405 1.00 0.00 N ATOM 815 CA ASP A 53 1.116 1.046 -7.121 1.00 0.00 C ATOM 816 C ASP A 53 -0.064 1.760 -7.772 1.00 0.00 C ATOM 817 O ASP A 53 -0.428 1.469 -8.912 1.00 0.00 O ATOM 818 CB ASP A 53 0.600 -0.024 -6.158 1.00 0.00 C ATOM 819 CG ASP A 53 -0.480 0.566 -5.256 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.329 1.707 -4.852 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.442 -0.133 -4.982 1.00 0.00 O ATOM 0 H ASP A 53 1.518 2.422 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 53 1.715 0.573 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.197 -0.867 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.422 -0.408 -5.553 1.00 0.00 H new ATOM 826 N THR A 54 -0.657 2.699 -7.042 1.00 0.00 N ATOM 827 CA THR A 54 -1.799 3.447 -7.555 1.00 0.00 C ATOM 828 C THR A 54 -1.431 4.159 -8.854 1.00 0.00 C ATOM 829 O THR A 54 -0.634 5.097 -8.854 1.00 0.00 O ATOM 830 CB THR A 54 -2.258 4.475 -6.520 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.124 5.140 -5.980 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.020 3.768 -5.398 1.00 0.00 C ATOM 0 H THR A 54 -0.368 2.959 -6.099 1.00 0.00 H new ATOM 0 HA THR A 54 -2.610 2.746 -7.754 1.00 0.00 H new ATOM 0 HB THR A 54 -2.914 5.203 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.944 5.952 -6.498 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.346 4.502 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.890 3.259 -5.813 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.367 3.038 -4.919 1.00 0.00 H new ATOM 840 N THR A 55 -2.017 3.706 -9.957 1.00 0.00 N ATOM 841 CA THR A 55 -1.734 4.300 -11.259 1.00 0.00 C ATOM 842 C THR A 55 -2.552 5.573 -11.457 1.00 0.00 C ATOM 843 O THR A 55 -2.383 6.282 -12.449 1.00 0.00 O ATOM 844 CB THR A 55 -2.064 3.302 -12.370 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.435 2.941 -12.289 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.195 2.053 -12.211 1.00 0.00 C ATOM 0 H THR A 55 -2.686 2.936 -9.977 1.00 0.00 H new ATOM 0 HA THR A 55 -0.674 4.553 -11.300 1.00 0.00 H new ATOM 0 HB THR A 55 -1.866 3.759 -13.340 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.648 2.303 -13.002 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.431 1.342 -13.003 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.143 2.331 -12.274 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.391 1.594 -11.242 1.00 0.00 H new ATOM 854 N GLN A 56 -3.437 5.857 -10.507 1.00 0.00 N ATOM 855 CA GLN A 56 -4.274 7.049 -10.587 1.00 0.00 C ATOM 856 C GLN A 56 -3.655 8.193 -9.790 1.00 0.00 C ATOM 857 O GLN A 56 -3.587 9.327 -10.263 1.00 0.00 O ATOM 858 CB GLN A 56 -5.670 6.745 -10.044 1.00 0.00 C ATOM 859 CG GLN A 56 -6.550 7.989 -10.174 1.00 0.00 C ATOM 860 CD GLN A 56 -7.986 7.656 -9.782 1.00 0.00 C ATOM 861 OE1 GLN A 56 -8.310 6.492 -9.542 1.00 0.00 O ATOM 862 NE2 GLN A 56 -8.869 8.612 -9.698 1.00 0.00 N ATOM 0 H GLN A 56 -3.593 5.283 -9.678 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.348 7.347 -11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.113 5.914 -10.594 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.607 6.439 -9.000 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.165 8.785 -9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.521 8.360 -11.199 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.598 9.575 -9.897 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.830 8.397 -9.433 1.00 0.00 H new ATOM 871 N TYR A 57 -3.207 7.887 -8.576 1.00 0.00 N ATOM 872 CA TYR A 57 -2.598 8.900 -7.722 1.00 0.00 C ATOM 873 C TYR A 57 -1.125 8.583 -7.478 1.00 0.00 C ATOM 874 O TYR A 57 -0.713 7.425 -7.525 1.00 0.00 O ATOM 875 CB TYR A 57 -3.335 8.965 -6.383 1.00 0.00 C ATOM 876 CG TYR A 57 -4.792 8.631 -6.593 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.694 9.635 -6.963 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.241 7.316 -6.418 1.00 0.00 C ATOM 879 CE1 TYR A 57 -7.046 9.325 -7.159 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.593 7.006 -6.613 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.495 8.011 -6.983 1.00 0.00 C ATOM 882 OH TYR A 57 -8.826 7.705 -7.175 1.00 0.00 O ATOM 0 H TYR A 57 -3.254 6.955 -8.165 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.672 9.864 -8.226 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.889 8.265 -5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.238 9.961 -5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.348 10.649 -7.097 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.545 6.541 -6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.742 10.100 -7.446 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.940 5.992 -6.478 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.901 6.828 -7.606 1.00 0.00 H new ATOM 892 N GLU A 58 -0.337 9.622 -7.218 1.00 0.00 N ATOM 893 CA GLU A 58 1.083 9.441 -6.943 1.00 0.00 C ATOM 894 C GLU A 58 1.324 9.309 -5.443 1.00 0.00 C ATOM 895 O GLU A 58 0.578 9.859 -4.634 1.00 0.00 O ATOM 896 CB GLU A 58 1.876 10.630 -7.488 1.00 0.00 C ATOM 897 CG GLU A 58 0.970 11.860 -7.556 1.00 0.00 C ATOM 898 CD GLU A 58 1.769 13.072 -8.021 1.00 0.00 C ATOM 899 OE1 GLU A 58 2.976 12.948 -8.149 1.00 0.00 O ATOM 900 OE2 GLU A 58 1.162 14.108 -8.242 1.00 0.00 O ATOM 0 H GLU A 58 -0.655 10.591 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 58 1.417 8.527 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.734 10.833 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.266 10.397 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.143 11.675 -8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.535 12.056 -6.576 1.00 0.00 H new ATOM 907 N MET A 59 2.371 8.575 -5.078 1.00 0.00 N ATOM 908 CA MET A 59 2.693 8.369 -3.672 1.00 0.00 C ATOM 909 C MET A 59 3.700 9.408 -3.191 1.00 0.00 C ATOM 910 O MET A 59 4.813 9.495 -3.711 1.00 0.00 O ATOM 911 CB MET A 59 3.267 6.966 -3.467 1.00 0.00 C ATOM 912 CG MET A 59 2.125 5.974 -3.243 1.00 0.00 C ATOM 913 SD MET A 59 0.767 6.348 -4.381 1.00 0.00 S ATOM 914 CE MET A 59 -0.581 5.771 -3.322 1.00 0.00 C ATOM 0 H MET A 59 3.006 8.117 -5.732 1.00 0.00 H new ATOM 0 HA MET A 59 1.776 8.475 -3.092 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.853 6.671 -4.337 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.942 6.959 -2.611 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.478 4.955 -3.403 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.776 6.032 -2.212 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.536 6.069 -3.754 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.542 4.685 -3.243 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.478 6.211 -2.330 1.00 0.00 H new ATOM 924 N HIS A 60 3.305 10.192 -2.192 1.00 0.00 N ATOM 925 CA HIS A 60 4.189 11.207 -1.633 1.00 0.00 C ATOM 926 C HIS A 60 4.646 10.801 -0.236 1.00 0.00 C ATOM 927 O HIS A 60 3.825 10.560 0.651 1.00 0.00 O ATOM 928 CB HIS A 60 3.466 12.554 -1.566 1.00 0.00 C ATOM 929 CG HIS A 60 3.141 13.019 -2.958 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.811 14.073 -3.561 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.222 12.583 -3.881 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.289 14.235 -4.790 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.317 13.352 -5.036 1.00 0.00 N ATOM 0 H HIS A 60 2.384 10.144 -1.756 1.00 0.00 H new ATOM 0 HA HIS A 60 5.062 11.299 -2.279 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.552 12.459 -0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.092 13.290 -1.062 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.563 14.625 -3.148 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.531 11.767 -3.732 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.616 14.987 -5.493 1.00 0.00 H new ATOM 942 N VAL A 61 5.959 10.723 -0.045 1.00 0.00 N ATOM 943 CA VAL A 61 6.509 10.322 1.246 1.00 0.00 C ATOM 944 C VAL A 61 7.052 11.531 2.000 1.00 0.00 C ATOM 945 O VAL A 61 7.773 12.356 1.439 1.00 0.00 O ATOM 946 CB VAL A 61 7.629 9.302 1.038 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.287 8.984 2.383 1.00 0.00 C ATOM 948 CG2 VAL A 61 7.044 8.019 0.443 1.00 0.00 C ATOM 0 H VAL A 61 6.657 10.930 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 61 5.710 9.873 1.836 1.00 0.00 H new ATOM 0 HB VAL A 61 8.374 9.714 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.085 8.257 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.702 9.897 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.542 8.571 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.841 7.291 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.300 7.608 1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.574 8.243 -0.514 1.00 0.00 H new ATOM 958 N LEU A 62 6.703 11.625 3.280 1.00 0.00 N ATOM 959 CA LEU A 62 7.178 12.723 4.115 1.00 0.00 C ATOM 960 C LEU A 62 7.451 12.232 5.532 1.00 0.00 C ATOM 961 O LEU A 62 6.554 12.212 6.376 1.00 0.00 O ATOM 962 CB LEU A 62 6.136 13.842 4.151 1.00 0.00 C ATOM 963 CG LEU A 62 6.686 15.026 4.949 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.746 15.752 4.121 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.545 15.992 5.277 1.00 0.00 C ATOM 0 H LEU A 62 6.097 10.959 3.759 1.00 0.00 H new ATOM 0 HA LEU A 62 8.105 13.107 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.889 14.156 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.214 13.480 4.606 1.00 0.00 H new ATOM 0 HG LEU A 62 7.134 14.664 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.137 16.595 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.558 15.064 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.299 16.115 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.935 16.836 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.097 16.354 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.789 15.475 5.868 1.00 0.00 H new ATOM 977 N VAL A 63 8.692 11.832 5.787 1.00 0.00 N ATOM 978 CA VAL A 63 9.065 11.323 7.101 1.00 0.00 C ATOM 979 C VAL A 63 10.034 12.275 7.795 1.00 0.00 C ATOM 980 O VAL A 63 10.980 12.769 7.183 1.00 0.00 O ATOM 981 CB VAL A 63 9.716 9.946 6.960 1.00 0.00 C ATOM 982 CG1 VAL A 63 10.017 9.377 8.348 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.761 9.005 6.223 1.00 0.00 C ATOM 0 H VAL A 63 9.452 11.850 5.106 1.00 0.00 H new ATOM 0 HA VAL A 63 8.162 11.241 7.705 1.00 0.00 H new ATOM 0 HB VAL A 63 10.644 10.040 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.481 8.396 8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.696 10.046 8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.089 9.283 8.912 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.224 8.023 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.833 8.913 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.545 9.408 5.234 1.00 0.00 H new ATOM 993 N THR A 64 9.791 12.524 9.079 1.00 0.00 N ATOM 994 CA THR A 64 10.655 13.409 9.853 1.00 0.00 C ATOM 995 C THR A 64 11.425 12.613 10.902 1.00 0.00 C ATOM 996 O THR A 64 10.869 11.733 11.559 1.00 0.00 O ATOM 997 CB THR A 64 9.817 14.489 10.541 1.00 0.00 C ATOM 998 OG1 THR A 64 9.130 15.250 9.557 1.00 0.00 O ATOM 999 CG2 THR A 64 10.732 15.407 11.352 1.00 0.00 C ATOM 0 H THR A 64 9.009 12.129 9.602 1.00 0.00 H new ATOM 0 HA THR A 64 11.365 13.882 9.174 1.00 0.00 H new ATOM 0 HB THR A 64 9.094 14.020 11.208 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.591 15.941 9.995 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.134 16.176 11.842 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.259 14.822 12.106 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.456 15.879 10.687 1.00 0.00 H new ATOM 1007 N PHE A 65 12.708 12.925 11.053 1.00 0.00 N ATOM 1008 CA PHE A 65 13.543 12.230 12.025 1.00 0.00 C ATOM 1009 C PHE A 65 14.119 13.211 13.041 1.00 0.00 C ATOM 1010 O PHE A 65 14.065 14.426 12.847 1.00 0.00 O ATOM 1011 CB PHE A 65 14.682 11.503 11.309 1.00 0.00 C ATOM 1012 CG PHE A 65 14.192 10.998 9.974 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.284 11.813 8.839 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.645 9.713 9.870 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.830 11.343 7.601 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.189 9.243 8.632 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.282 10.058 7.498 1.00 0.00 C ATOM 0 H PHE A 65 13.189 13.649 10.519 1.00 0.00 H new ATOM 0 HA PHE A 65 12.924 11.504 12.553 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.527 12.177 11.168 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.037 10.671 11.917 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.705 12.804 8.919 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.575 9.084 10.745 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.902 11.971 6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.766 8.252 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.931 9.696 6.543 1.00 0.00 H new ATOM 1027 N ASN A 66 14.671 12.675 14.125 1.00 0.00 N ATOM 1028 CA ASN A 66 15.265 13.510 15.163 1.00 0.00 C ATOM 1029 C ASN A 66 16.717 13.832 14.827 1.00 0.00 C ATOM 1030 O ASN A 66 17.389 13.066 14.138 1.00 0.00 O ATOM 1031 CB ASN A 66 15.200 12.790 16.512 1.00 0.00 C ATOM 1032 CG ASN A 66 15.466 13.777 17.643 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.686 14.705 17.856 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.529 13.632 18.387 1.00 0.00 N ATOM 0 H ASN A 66 14.719 11.673 14.307 1.00 0.00 H new ATOM 0 HA ASN A 66 14.702 14.442 15.220 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.220 12.331 16.642 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.935 11.985 16.540 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.714 14.288 19.146 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.175 12.863 18.210 1.00 0.00 H new ATOM 1041 N GLU A 67 17.193 14.970 15.319 1.00 0.00 N ATOM 1042 CA GLU A 67 18.568 15.386 15.065 1.00 0.00 C ATOM 1043 C GLU A 67 19.530 14.231 15.320 1.00 0.00 C ATOM 1044 O GLU A 67 20.450 13.990 14.538 1.00 0.00 O ATOM 1045 CB GLU A 67 18.934 16.566 15.966 1.00 0.00 C ATOM 1046 CG GLU A 67 20.455 16.717 16.019 1.00 0.00 C ATOM 1047 CD GLU A 67 20.823 18.119 16.494 1.00 0.00 C ATOM 1048 OE1 GLU A 67 19.922 18.853 16.864 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.001 18.437 16.480 1.00 0.00 O ATOM 0 H GLU A 67 16.652 15.617 15.892 1.00 0.00 H new ATOM 0 HA GLU A 67 18.649 15.690 14.021 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.480 17.481 15.586 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.539 16.407 16.969 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.879 15.973 16.693 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.882 16.534 15.033 1.00 0.00 H new ATOM 1056 N ASP A 68 19.312 13.519 16.422 1.00 0.00 N ATOM 1057 CA ASP A 68 20.166 12.391 16.772 1.00 0.00 C ATOM 1058 C ASP A 68 19.750 11.144 15.999 1.00 0.00 C ATOM 1059 O ASP A 68 19.151 10.227 16.560 1.00 0.00 O ATOM 1060 CB ASP A 68 20.078 12.117 18.275 1.00 0.00 C ATOM 1061 CG ASP A 68 20.669 13.285 19.055 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.318 14.115 18.440 1.00 0.00 O ATOM 1063 OD2 ASP A 68 20.466 13.334 20.257 1.00 0.00 O ATOM 0 H ASP A 68 18.557 13.702 17.083 1.00 0.00 H new ATOM 0 HA ASP A 68 21.194 12.641 16.508 1.00 0.00 H new ATOM 0 HB2 ASP A 68 19.038 11.965 18.565 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.614 11.199 18.517 1.00 0.00 H new ATOM 1068 N CYS A 69 20.071 11.118 14.710 1.00 0.00 N ATOM 1069 CA CYS A 69 19.733 9.972 13.873 1.00 0.00 C ATOM 1070 C CYS A 69 20.704 9.858 12.702 1.00 0.00 C ATOM 1071 O CYS A 69 20.772 10.746 11.851 1.00 0.00 O ATOM 1072 CB CYS A 69 18.306 10.117 13.342 1.00 0.00 C ATOM 1073 SG CYS A 69 17.180 10.447 14.721 1.00 0.00 S ATOM 0 H CYS A 69 20.560 11.870 14.225 1.00 0.00 H new ATOM 0 HA CYS A 69 19.806 9.069 14.479 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.257 10.929 12.616 1.00 0.00 H new ATOM 0 HB3 CYS A 69 18.005 9.207 12.823 1.00 0.00 H new ATOM 0 HG CYS A 69 17.618 9.852 15.791 1.00 0.00 H new ATOM 1079 N ASP A 70 21.450 8.759 12.663 1.00 0.00 N ATOM 1080 CA ASP A 70 22.415 8.541 11.591 1.00 0.00 C ATOM 1081 C ASP A 70 21.702 8.116 10.311 1.00 0.00 C ATOM 1082 O ASP A 70 21.631 6.928 9.994 1.00 0.00 O ATOM 1083 CB ASP A 70 23.418 7.461 12.002 1.00 0.00 C ATOM 1084 CG ASP A 70 24.595 7.448 11.034 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.637 8.310 10.170 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.438 6.577 11.169 1.00 0.00 O ATOM 0 H ASP A 70 21.406 8.011 13.355 1.00 0.00 H new ATOM 0 HA ASP A 70 22.945 9.476 11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.772 7.649 13.016 1.00 0.00 H new ATOM 0 HB3 ASP A 70 22.932 6.485 12.010 1.00 0.00 H new ATOM 1091 N ILE A 71 21.172 9.093 9.583 1.00 0.00 N ATOM 1092 CA ILE A 71 20.458 8.810 8.344 1.00 0.00 C ATOM 1093 C ILE A 71 21.055 9.602 7.187 1.00 0.00 C ATOM 1094 O ILE A 71 21.741 10.603 7.395 1.00 0.00 O ATOM 1095 CB ILE A 71 18.980 9.168 8.502 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.852 10.650 8.863 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.364 8.318 9.616 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.374 11.009 9.036 1.00 0.00 C ATOM 0 H ILE A 71 21.223 10.082 9.828 1.00 0.00 H new ATOM 0 HA ILE A 71 20.554 7.746 8.126 1.00 0.00 H new ATOM 0 HB ILE A 71 18.457 8.973 7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.398 10.859 9.783 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.297 11.265 8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.310 8.574 9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.456 7.262 9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.886 8.512 10.553 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.284 12.064 9.293 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.841 10.815 8.105 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.943 10.403 9.833 1.00 0.00 H new ATOM 1110 N LYS A 72 20.791 9.148 5.965 1.00 0.00 N ATOM 1111 CA LYS A 72 21.314 9.821 4.781 1.00 0.00 C ATOM 1112 C LYS A 72 20.293 9.788 3.649 1.00 0.00 C ATOM 1113 O LYS A 72 19.332 9.021 3.689 1.00 0.00 O ATOM 1114 CB LYS A 72 22.606 9.142 4.323 1.00 0.00 C ATOM 1115 CG LYS A 72 23.408 10.105 3.445 1.00 0.00 C ATOM 1116 CD LYS A 72 23.705 9.441 2.099 1.00 0.00 C ATOM 1117 CE LYS A 72 24.821 8.410 2.272 1.00 0.00 C ATOM 1118 NZ LYS A 72 24.746 7.822 3.640 1.00 0.00 N ATOM 0 H LYS A 72 20.223 8.324 5.770 1.00 0.00 H new ATOM 0 HA LYS A 72 21.520 10.860 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 72 23.198 8.843 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.374 8.234 3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 72 22.847 11.027 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 72 24.339 10.377 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.807 8.959 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.001 10.193 1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.725 7.625 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 72 25.792 8.880 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 25.402 7.018 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 25.007 8.543 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.776 7.495 3.824 1.00 0.00 H new ATOM 1132 N ALA A 73 20.509 10.625 2.639 1.00 0.00 N ATOM 1133 CA ALA A 73 19.601 10.684 1.499 1.00 0.00 C ATOM 1134 C ALA A 73 20.103 9.789 0.370 1.00 0.00 C ATOM 1135 O ALA A 73 21.304 9.719 0.107 1.00 0.00 O ATOM 1136 CB ALA A 73 19.484 12.124 0.998 1.00 0.00 C ATOM 0 H ALA A 73 21.299 11.268 2.586 1.00 0.00 H new ATOM 0 HA ALA A 73 18.621 10.332 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.804 12.159 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.098 12.757 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.466 12.484 0.693 1.00 0.00 H new ATOM 1142 N LEU A 74 19.177 9.105 -0.294 1.00 0.00 N ATOM 1143 CA LEU A 74 19.538 8.207 -1.384 1.00 0.00 C ATOM 1144 C LEU A 74 19.246 8.856 -2.733 1.00 0.00 C ATOM 1145 O LEU A 74 20.010 9.696 -3.208 1.00 0.00 O ATOM 1146 CB LEU A 74 18.757 6.897 -1.263 1.00 0.00 C ATOM 1147 CG LEU A 74 19.101 6.221 0.065 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.190 5.010 0.274 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.560 5.762 0.039 1.00 0.00 C ATOM 0 H LEU A 74 18.177 9.155 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 74 20.606 7.999 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.686 7.093 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.003 6.236 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 74 18.956 6.929 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.436 4.529 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.150 5.336 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.334 4.301 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.807 5.280 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.704 5.054 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.210 6.624 -0.109 1.00 0.00 H new ATOM 1161 N GLY A 75 18.135 8.460 -3.347 1.00 0.00 N ATOM 1162 CA GLY A 75 17.759 8.999 -4.648 1.00 0.00 C ATOM 1163 C GLY A 75 17.624 10.516 -4.591 1.00 0.00 C ATOM 1164 O GLY A 75 18.277 11.177 -3.782 1.00 0.00 O ATOM 0 H GLY A 75 17.484 7.773 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.509 8.724 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.816 8.558 -4.970 1.00 0.00 H new ATOM 1168 N LYS A 76 16.773 11.062 -5.453 1.00 0.00 N ATOM 1169 CA LYS A 76 16.567 12.505 -5.497 1.00 0.00 C ATOM 1170 C LYS A 76 15.998 13.005 -4.174 1.00 0.00 C ATOM 1171 O LYS A 76 15.758 14.200 -4.001 1.00 0.00 O ATOM 1172 CB LYS A 76 15.609 12.862 -6.635 1.00 0.00 C ATOM 1173 CG LYS A 76 14.330 12.031 -6.505 1.00 0.00 C ATOM 1174 CD LYS A 76 13.116 12.915 -6.797 1.00 0.00 C ATOM 1175 CE LYS A 76 13.079 13.257 -8.287 1.00 0.00 C ATOM 1176 NZ LYS A 76 12.280 14.498 -8.492 1.00 0.00 N ATOM 0 H LYS A 76 16.219 10.532 -6.126 1.00 0.00 H new ATOM 0 HA LYS A 76 17.530 12.985 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.370 13.925 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.083 12.671 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.357 11.191 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.256 11.613 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.200 12.399 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.167 13.829 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.092 13.397 -8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.641 12.433 -8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.255 14.731 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.311 14.348 -8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.717 15.283 -7.967 1.00 0.00 H new ATOM 1190 N THR A 77 15.785 12.082 -3.242 1.00 0.00 N ATOM 1191 CA THR A 77 15.236 12.439 -1.939 1.00 0.00 C ATOM 1192 C THR A 77 15.968 13.647 -1.362 1.00 0.00 C ATOM 1193 O THR A 77 17.159 13.577 -1.060 1.00 0.00 O ATOM 1194 CB THR A 77 15.364 11.256 -0.976 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.712 10.123 -1.533 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.717 11.612 0.363 1.00 0.00 C ATOM 0 H THR A 77 15.982 11.089 -3.363 1.00 0.00 H new ATOM 0 HA THR A 77 14.183 12.692 -2.066 1.00 0.00 H new ATOM 0 HB THR A 77 16.418 11.029 -0.817 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.376 9.432 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.809 10.769 1.047 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.218 12.481 0.789 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.662 11.840 0.208 1.00 0.00 H new ATOM 1204 N LYS A 78 15.247 14.753 -1.213 1.00 0.00 N ATOM 1205 CA LYS A 78 15.839 15.970 -0.670 1.00 0.00 C ATOM 1206 C LYS A 78 15.947 15.880 0.849 1.00 0.00 C ATOM 1207 O LYS A 78 14.943 15.729 1.546 1.00 0.00 O ATOM 1208 CB LYS A 78 14.986 17.182 -1.051 1.00 0.00 C ATOM 1209 CG LYS A 78 15.761 18.466 -0.753 1.00 0.00 C ATOM 1210 CD LYS A 78 16.624 18.835 -1.961 1.00 0.00 C ATOM 1211 CE LYS A 78 15.805 19.689 -2.931 1.00 0.00 C ATOM 1212 NZ LYS A 78 16.495 19.741 -4.251 1.00 0.00 N ATOM 0 H LYS A 78 14.260 14.832 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 78 16.839 16.084 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.726 17.139 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.050 17.172 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.069 19.277 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.389 18.328 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.509 19.382 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.974 17.932 -2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.806 19.269 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.683 20.696 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.939 20.321 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.439 20.160 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.589 18.778 -4.632 1.00 0.00 H new ATOM 1226 N LEU A 79 17.172 15.971 1.356 1.00 0.00 N ATOM 1227 CA LEU A 79 17.401 15.888 2.794 1.00 0.00 C ATOM 1228 C LEU A 79 17.926 17.214 3.331 1.00 0.00 C ATOM 1229 O LEU A 79 18.877 17.781 2.794 1.00 0.00 O ATOM 1230 CB LEU A 79 18.409 14.777 3.098 1.00 0.00 C ATOM 1231 CG LEU A 79 18.723 14.770 4.595 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.426 14.604 5.389 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.665 13.607 4.911 1.00 0.00 C ATOM 0 H LEU A 79 18.016 16.101 0.798 1.00 0.00 H new ATOM 0 HA LEU A 79 16.453 15.662 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.004 13.811 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.323 14.933 2.524 1.00 0.00 H new ATOM 0 HG LEU A 79 19.199 15.711 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.650 14.599 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.753 15.431 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.949 13.663 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.890 13.600 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.188 12.667 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.590 13.724 4.346 1.00 0.00 H new ATOM 1245 N GLU A 80 17.299 17.705 4.397 1.00 0.00 N ATOM 1246 CA GLU A 80 17.712 18.967 4.999 1.00 0.00 C ATOM 1247 C GLU A 80 17.349 18.997 6.480 1.00 0.00 C ATOM 1248 O GLU A 80 16.425 18.309 6.916 1.00 0.00 O ATOM 1249 CB GLU A 80 17.033 20.134 4.282 1.00 0.00 C ATOM 1250 CG GLU A 80 15.521 19.908 4.252 1.00 0.00 C ATOM 1251 CD GLU A 80 14.843 21.010 3.445 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.523 21.957 3.086 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.654 20.891 3.200 1.00 0.00 O ATOM 0 H GLU A 80 16.510 17.252 4.858 1.00 0.00 H new ATOM 0 HA GLU A 80 18.793 19.059 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.261 21.070 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.418 20.223 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.299 18.936 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.127 19.896 5.268 1.00 0.00 H new ATOM 1260 N GLN A 81 18.081 19.796 7.249 1.00 0.00 N ATOM 1261 CA GLN A 81 17.829 19.903 8.681 1.00 0.00 C ATOM 1262 C GLN A 81 17.177 21.243 9.011 1.00 0.00 C ATOM 1263 O GLN A 81 17.407 22.241 8.328 1.00 0.00 O ATOM 1264 CB GLN A 81 19.142 19.768 9.454 1.00 0.00 C ATOM 1265 CG GLN A 81 18.846 19.693 10.953 1.00 0.00 C ATOM 1266 CD GLN A 81 20.142 19.482 11.729 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.188 19.226 11.135 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.133 19.573 13.032 1.00 0.00 N ATOM 0 H GLN A 81 18.848 20.375 6.908 1.00 0.00 H new ATOM 0 HA GLN A 81 17.152 19.100 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.675 18.873 9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.790 20.619 9.243 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.360 20.611 11.283 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.154 18.876 11.155 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.264 19.785 13.522 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.995 19.432 13.559 1.00 0.00 H new ATOM 1277 N GLN A 82 16.365 21.256 10.062 1.00 0.00 N ATOM 1278 CA GLN A 82 15.683 22.478 10.474 1.00 0.00 C ATOM 1279 C GLN A 82 16.393 23.112 11.666 1.00 0.00 C ATOM 1280 O GLN A 82 17.388 22.582 12.160 1.00 0.00 O ATOM 1281 CB GLN A 82 14.232 22.167 10.846 1.00 0.00 C ATOM 1282 CG GLN A 82 13.702 21.052 9.945 1.00 0.00 C ATOM 1283 CD GLN A 82 13.915 21.419 8.480 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.514 20.574 7.686 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 13.526 22.504 8.049 1.00 0.00 N flip ATOM 0 H GLN A 82 16.164 20.441 10.641 1.00 0.00 H new ATOM 0 HA GLN A 82 15.700 23.180 9.641 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.170 21.864 11.891 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.618 23.061 10.736 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.213 20.116 10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.641 20.891 10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.058 23.162 8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.671 22.745 7.069 1.00 0.00 H new ATOM 1294 N GLU A 83 15.874 24.247 12.123 1.00 0.00 N ATOM 1295 CA GLU A 83 16.470 24.945 13.257 1.00 0.00 C ATOM 1296 C GLU A 83 16.183 24.199 14.556 1.00 0.00 C ATOM 1297 O GLU A 83 17.054 24.071 15.416 1.00 0.00 O ATOM 1298 CB GLU A 83 15.910 26.366 13.348 1.00 0.00 C ATOM 1299 CG GLU A 83 16.199 27.113 12.044 1.00 0.00 C ATOM 1300 CD GLU A 83 17.704 27.291 11.869 1.00 0.00 C ATOM 1301 OE1 GLU A 83 18.415 27.163 12.852 1.00 0.00 O ATOM 1302 OE2 GLU A 83 18.123 27.556 10.754 1.00 0.00 O ATOM 0 H GLU A 83 15.049 24.700 11.730 1.00 0.00 H new ATOM 0 HA GLU A 83 17.549 24.989 13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.836 26.334 13.531 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.361 26.893 14.189 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.789 26.559 11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.708 28.086 12.056 1.00 0.00 H new ATOM 1309 N ASN A 84 14.955 23.708 14.691 1.00 0.00 N ATOM 1310 CA ASN A 84 14.560 22.986 15.895 1.00 0.00 C ATOM 1311 C ASN A 84 15.463 21.778 16.116 1.00 0.00 C ATOM 1312 O ASN A 84 15.632 21.315 17.245 1.00 0.00 O ATOM 1313 CB ASN A 84 13.107 22.524 15.772 1.00 0.00 C ATOM 1314 CG ASN A 84 12.786 22.192 14.318 1.00 0.00 C ATOM 1315 OD1 ASN A 84 12.141 22.982 13.629 1.00 0.00 O ATOM 1316 ND2 ASN A 84 13.203 21.066 13.808 1.00 0.00 N ATOM 0 H ASN A 84 14.222 23.796 13.988 1.00 0.00 H new ATOM 0 HA ASN A 84 14.657 23.658 16.748 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.941 21.648 16.399 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.437 23.305 16.132 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.995 20.838 12.836 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.737 20.413 14.381 1.00 0.00 H new ATOM 1323 N GLY A 85 16.039 21.270 15.031 1.00 0.00 N ATOM 1324 CA GLY A 85 16.942 20.128 15.122 1.00 0.00 C ATOM 1325 C GLY A 85 16.250 18.849 14.664 1.00 0.00 C ATOM 1326 O GLY A 85 16.203 17.861 15.395 1.00 0.00 O ATOM 0 H GLY A 85 15.898 21.627 14.086 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.825 20.308 14.509 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.286 20.012 16.150 1.00 0.00 H new ATOM 1330 N GLU A 86 15.712 18.877 13.449 1.00 0.00 N ATOM 1331 CA GLU A 86 15.050 17.704 12.890 1.00 0.00 C ATOM 1332 C GLU A 86 15.436 17.515 11.426 1.00 0.00 C ATOM 1333 O GLU A 86 15.723 18.483 10.721 1.00 0.00 O ATOM 1334 CB GLU A 86 13.532 17.860 13.002 1.00 0.00 C ATOM 1335 CG GLU A 86 13.055 17.293 14.341 1.00 0.00 C ATOM 1336 CD GLU A 86 13.612 18.129 15.488 1.00 0.00 C ATOM 1337 OE1 GLU A 86 13.771 19.324 15.302 1.00 0.00 O ATOM 1338 OE2 GLU A 86 13.873 17.562 16.536 1.00 0.00 O ATOM 0 H GLU A 86 15.721 19.693 12.837 1.00 0.00 H new ATOM 0 HA GLU A 86 15.369 16.827 13.454 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.258 18.912 12.923 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.041 17.340 12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.966 17.291 14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.380 16.258 14.443 1.00 0.00 H new ATOM 1345 N TRP A 87 15.438 16.265 10.978 1.00 0.00 N ATOM 1346 CA TRP A 87 15.786 15.960 9.594 1.00 0.00 C ATOM 1347 C TRP A 87 14.531 15.652 8.783 1.00 0.00 C ATOM 1348 O TRP A 87 13.664 14.899 9.228 1.00 0.00 O ATOM 1349 CB TRP A 87 16.736 14.763 9.543 1.00 0.00 C ATOM 1350 CG TRP A 87 18.084 15.172 10.043 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.535 14.983 11.304 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.160 15.836 9.320 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.818 15.489 11.401 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.248 16.026 10.204 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.298 16.287 7.994 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.430 16.642 9.789 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.485 16.908 7.574 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.549 17.084 8.469 1.00 0.00 C ATOM 0 H TRP A 87 15.205 15.451 11.547 1.00 0.00 H new ATOM 0 HA TRP A 87 16.280 16.831 9.163 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.343 13.948 10.151 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.813 14.390 8.522 1.00 0.00 H new ATOM 0 HD1 TRP A 87 17.983 14.513 12.105 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.378 15.468 12.253 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.485 16.155 7.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.246 16.776 10.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.579 17.252 6.555 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.460 17.561 8.139 1.00 0.00 H new ATOM 1369 N VAL A 88 14.441 16.238 7.594 1.00 0.00 N ATOM 1370 CA VAL A 88 13.281 16.025 6.735 1.00 0.00 C ATOM 1371 C VAL A 88 13.702 15.384 5.416 1.00 0.00 C ATOM 1372 O VAL A 88 14.725 15.747 4.837 1.00 0.00 O ATOM 1373 CB VAL A 88 12.585 17.357 6.459 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.450 17.141 5.455 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.009 17.911 7.765 1.00 0.00 C ATOM 0 H VAL A 88 15.151 16.859 7.205 1.00 0.00 H new ATOM 0 HA VAL A 88 12.591 15.355 7.247 1.00 0.00 H new ATOM 0 HB VAL A 88 13.305 18.065 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.953 18.091 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.857 16.745 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.730 16.433 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.512 18.861 7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.289 17.203 8.174 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.815 18.064 8.482 1.00 0.00 H new ATOM 1385 N ALA A 89 12.904 14.430 4.947 1.00 0.00 N ATOM 1386 CA ALA A 89 13.201 13.747 3.693 1.00 0.00 C ATOM 1387 C ALA A 89 11.915 13.447 2.929 1.00 0.00 C ATOM 1388 O ALA A 89 11.155 12.555 3.302 1.00 0.00 O ATOM 1389 CB ALA A 89 13.946 12.440 3.973 1.00 0.00 C ATOM 0 H ALA A 89 12.053 14.114 5.412 1.00 0.00 H new ATOM 0 HA ALA A 89 13.828 14.400 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.164 11.936 3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.879 12.657 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.326 11.794 4.595 1.00 0.00 H new ATOM 1395 N SER A 90 11.680 14.200 1.859 1.00 0.00 N ATOM 1396 CA SER A 90 10.474 14.016 1.061 1.00 0.00 C ATOM 1397 C SER A 90 10.831 13.633 -0.372 1.00 0.00 C ATOM 1398 O SER A 90 11.840 14.085 -0.912 1.00 0.00 O ATOM 1399 CB SER A 90 9.650 15.305 1.054 1.00 0.00 C ATOM 1400 OG SER A 90 10.320 16.285 0.272 1.00 0.00 O ATOM 0 H SER A 90 12.303 14.937 1.527 1.00 0.00 H new ATOM 0 HA SER A 90 9.888 13.211 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.657 15.114 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.512 15.668 2.073 1.00 0.00 H new ATOM 0 HG SER A 90 9.794 17.112 0.263 1.00 0.00 H new ATOM 1406 N VAL A 91 9.995 12.798 -0.980 1.00 0.00 N ATOM 1407 CA VAL A 91 10.226 12.368 -2.354 1.00 0.00 C ATOM 1408 C VAL A 91 8.944 11.800 -2.958 1.00 0.00 C ATOM 1409 O VAL A 91 8.134 11.194 -2.258 1.00 0.00 O ATOM 1410 CB VAL A 91 11.324 11.304 -2.392 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.776 9.985 -1.848 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.791 11.105 -3.836 1.00 0.00 C ATOM 0 H VAL A 91 9.158 12.408 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 91 10.540 13.233 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 91 12.165 11.628 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.559 9.227 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.443 10.126 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.935 9.660 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.574 10.347 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.950 10.781 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.183 12.045 -4.225 1.00 0.00 H new ATOM 1422 N VAL A 92 8.769 12.004 -4.260 1.00 0.00 N ATOM 1423 CA VAL A 92 7.582 11.506 -4.946 1.00 0.00 C ATOM 1424 C VAL A 92 7.924 10.290 -5.800 1.00 0.00 C ATOM 1425 O VAL A 92 8.933 10.279 -6.506 1.00 0.00 O ATOM 1426 CB VAL A 92 6.994 12.605 -5.833 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.670 12.126 -6.432 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.747 13.860 -4.992 1.00 0.00 C ATOM 0 H VAL A 92 9.427 12.506 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 92 6.849 11.212 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 92 7.694 12.835 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.252 12.910 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.844 11.232 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.970 11.895 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.328 14.644 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.048 13.628 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.689 14.203 -4.565 1.00 0.00 H new ATOM 1438 N VAL A 93 7.077 9.269 -5.731 1.00 0.00 N ATOM 1439 CA VAL A 93 7.299 8.051 -6.502 1.00 0.00 C ATOM 1440 C VAL A 93 6.159 7.830 -7.492 1.00 0.00 C ATOM 1441 O VAL A 93 4.986 7.935 -7.134 1.00 0.00 O ATOM 1442 CB VAL A 93 7.401 6.848 -5.562 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.836 5.615 -6.355 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.432 7.141 -4.470 1.00 0.00 C ATOM 0 H VAL A 93 6.236 9.260 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 93 8.232 8.158 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 93 6.429 6.661 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.909 4.758 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.102 5.406 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.808 5.801 -6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.505 6.285 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.403 7.328 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.123 8.019 -3.904 1.00 0.00 H new ATOM 1454 N TYR A 94 6.511 7.523 -8.736 1.00 0.00 N ATOM 1455 CA TYR A 94 5.508 7.301 -9.770 1.00 0.00 C ATOM 1456 C TYR A 94 5.090 5.835 -9.803 1.00 0.00 C ATOM 1457 O TYR A 94 5.882 4.945 -9.495 1.00 0.00 O ATOM 1458 CB TYR A 94 6.066 7.710 -11.134 1.00 0.00 C ATOM 1459 CG TYR A 94 6.282 9.205 -11.161 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.191 10.072 -11.029 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.575 9.722 -11.295 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.393 11.457 -11.033 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.778 11.107 -11.299 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.686 11.975 -11.169 1.00 0.00 C ATOM 1465 OH TYR A 94 6.886 13.340 -11.175 1.00 0.00 O ATOM 0 H TYR A 94 7.476 7.423 -9.051 1.00 0.00 H new ATOM 0 HA TYR A 94 4.633 7.909 -9.541 1.00 0.00 H new ATOM 0 HB2 TYR A 94 7.006 7.192 -11.325 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.375 7.417 -11.924 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.193 9.672 -10.924 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.417 9.053 -11.395 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.551 12.126 -10.931 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.776 11.506 -11.402 1.00 0.00 H new ATOM 0 HH TYR A 94 7.842 13.530 -11.277 1.00 0.00 H new ATOM 1475 N PRO A 95 3.864 5.576 -10.169 1.00 0.00 N ATOM 1476 CA PRO A 95 3.309 4.192 -10.204 1.00 0.00 C ATOM 1477 C PRO A 95 4.309 3.185 -10.769 1.00 0.00 C ATOM 1478 O PRO A 95 4.878 2.381 -10.030 1.00 0.00 O ATOM 1479 CB PRO A 95 2.079 4.306 -11.112 1.00 0.00 C ATOM 1480 CG PRO A 95 1.618 5.721 -10.993 1.00 0.00 C ATOM 1481 CD PRO A 95 2.840 6.551 -10.606 1.00 0.00 C ATOM 0 HA PRO A 95 3.070 3.827 -9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.330 4.062 -12.144 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.298 3.612 -10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 95 1.196 6.071 -11.935 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.835 5.811 -10.240 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.196 7.141 -11.451 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.600 7.252 -9.806 1.00 0.00 H new ATOM 1489 N CYS A 96 4.515 3.236 -12.079 1.00 0.00 N ATOM 1490 CA CYS A 96 5.430 2.310 -12.735 1.00 0.00 C ATOM 1491 C CYS A 96 6.874 2.774 -12.565 1.00 0.00 C ATOM 1492 O CYS A 96 7.642 2.814 -13.526 1.00 0.00 O ATOM 1493 CB CYS A 96 5.096 2.212 -14.225 1.00 0.00 C ATOM 1494 SG CYS A 96 6.137 0.947 -14.994 1.00 0.00 S ATOM 0 H CYS A 96 4.064 3.904 -12.705 1.00 0.00 H new ATOM 0 HA CYS A 96 5.318 1.329 -12.273 1.00 0.00 H new ATOM 0 HB2 CYS A 96 4.043 1.962 -14.357 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.258 3.175 -14.709 1.00 0.00 H new ATOM 0 HG CYS A 96 7.376 1.137 -14.650 1.00 0.00 H new ATOM 1500 N GLU A 97 7.235 3.125 -11.334 1.00 0.00 N ATOM 1501 CA GLU A 97 8.590 3.578 -11.045 1.00 0.00 C ATOM 1502 C GLU A 97 8.907 3.409 -9.562 1.00 0.00 C ATOM 1503 O GLU A 97 8.027 3.540 -8.710 1.00 0.00 O ATOM 1504 CB GLU A 97 8.743 5.049 -11.437 1.00 0.00 C ATOM 1505 CG GLU A 97 10.146 5.285 -11.998 1.00 0.00 C ATOM 1506 CD GLU A 97 11.195 4.875 -10.970 1.00 0.00 C ATOM 1507 OE1 GLU A 97 11.104 5.336 -9.844 1.00 0.00 O ATOM 1508 OE2 GLU A 97 12.073 4.105 -11.323 1.00 0.00 O ATOM 0 H GLU A 97 6.612 3.105 -10.526 1.00 0.00 H new ATOM 0 HA GLU A 97 9.287 2.973 -11.625 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.993 5.318 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.575 5.687 -10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.281 4.712 -12.915 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.271 6.336 -12.257 1.00 0.00 H new ATOM 1515 N THR A 98 10.169 3.119 -9.261 1.00 0.00 N ATOM 1516 CA THR A 98 10.594 2.949 -7.876 1.00 0.00 C ATOM 1517 C THR A 98 11.852 3.765 -7.599 1.00 0.00 C ATOM 1518 O THR A 98 12.803 3.742 -8.381 1.00 0.00 O ATOM 1519 CB THR A 98 10.867 1.471 -7.591 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.845 0.680 -8.179 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.892 1.236 -6.080 1.00 0.00 C ATOM 0 H THR A 98 10.910 2.998 -9.951 1.00 0.00 H new ATOM 0 HA THR A 98 9.795 3.302 -7.224 1.00 0.00 H new ATOM 0 HB THR A 98 11.832 1.192 -8.015 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.245 -0.106 -8.607 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.087 0.183 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.678 1.843 -5.630 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.929 1.515 -5.652 1.00 0.00 H new ATOM 1529 N GLU A 99 11.850 4.486 -6.482 1.00 0.00 N ATOM 1530 CA GLU A 99 12.988 5.326 -6.126 1.00 0.00 C ATOM 1531 C GLU A 99 13.455 5.024 -4.706 1.00 0.00 C ATOM 1532 O GLU A 99 12.689 4.521 -3.884 1.00 0.00 O ATOM 1533 CB GLU A 99 12.601 6.802 -6.235 1.00 0.00 C ATOM 1534 CG GLU A 99 12.024 7.079 -7.625 1.00 0.00 C ATOM 1535 CD GLU A 99 11.740 8.568 -7.785 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.846 9.281 -6.801 1.00 0.00 O ATOM 1537 OE2 GLU A 99 11.422 8.974 -8.891 1.00 0.00 O ATOM 0 H GLU A 99 11.080 4.506 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 99 13.804 5.112 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.868 7.054 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.474 7.431 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.726 6.750 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.106 6.508 -7.767 1.00 0.00 H new ATOM 1544 N MET A 100 14.715 5.337 -4.425 1.00 0.00 N ATOM 1545 CA MET A 100 15.271 5.110 -3.095 1.00 0.00 C ATOM 1546 C MET A 100 14.923 6.266 -2.163 1.00 0.00 C ATOM 1547 O MET A 100 14.848 7.418 -2.590 1.00 0.00 O ATOM 1548 CB MET A 100 16.792 4.964 -3.182 1.00 0.00 C ATOM 1549 CG MET A 100 17.144 3.843 -4.161 1.00 0.00 C ATOM 1550 SD MET A 100 16.435 2.284 -3.574 1.00 0.00 S ATOM 1551 CE MET A 100 17.392 2.164 -2.042 1.00 0.00 C ATOM 0 H MET A 100 15.367 5.746 -5.094 1.00 0.00 H new ATOM 0 HA MET A 100 14.840 4.193 -2.695 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.239 5.902 -3.511 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.203 4.743 -2.197 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.760 4.079 -5.154 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.226 3.751 -4.252 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.495 1.117 -1.758 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.380 2.597 -2.196 1.00 0.00 H new ATOM 0 HE3 MET A 100 16.878 2.706 -1.248 1.00 0.00 H new ATOM 1561 N PHE A 101 14.713 5.949 -0.890 1.00 0.00 N ATOM 1562 CA PHE A 101 14.353 6.968 0.090 1.00 0.00 C ATOM 1563 C PHE A 101 15.572 7.370 0.916 1.00 0.00 C ATOM 1564 O PHE A 101 16.442 8.101 0.442 1.00 0.00 O ATOM 1565 CB PHE A 101 13.258 6.440 1.018 1.00 0.00 C ATOM 1566 CG PHE A 101 12.808 7.545 1.943 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.548 8.823 1.434 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.586 7.273 3.298 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.077 9.832 2.282 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.118 8.284 4.147 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.865 9.563 3.640 1.00 0.00 C ATOM 0 H PHE A 101 14.785 5.003 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 101 13.983 7.843 -0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.414 6.075 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.633 5.596 1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.711 9.030 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.775 6.284 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.877 10.818 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.952 8.076 5.194 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.506 10.343 4.296 1.00 0.00 H new ATOM 1581 N ILE A 102 15.627 6.886 2.152 1.00 0.00 N ATOM 1582 CA ILE A 102 16.750 7.195 3.032 1.00 0.00 C ATOM 1583 C ILE A 102 17.343 5.916 3.612 1.00 0.00 C ATOM 1584 O ILE A 102 16.700 4.865 3.612 1.00 0.00 O ATOM 1585 CB ILE A 102 16.283 8.105 4.169 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.366 7.318 5.108 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.516 9.296 3.590 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.215 6.536 6.112 1.00 0.00 C ATOM 0 H ILE A 102 14.915 6.284 2.565 1.00 0.00 H new ATOM 0 HA ILE A 102 17.517 7.705 2.449 1.00 0.00 H new ATOM 0 HB ILE A 102 17.150 8.466 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.696 7.998 5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.740 6.634 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.184 9.944 4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.168 9.858 2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.650 8.936 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.563 5.975 6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.867 5.845 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.822 7.230 6.694 1.00 0.00 H new ATOM 1600 N GLU A 103 18.573 6.011 4.108 1.00 0.00 N ATOM 1601 CA GLU A 103 19.241 4.855 4.694 1.00 0.00 C ATOM 1602 C GLU A 103 19.911 5.234 6.011 1.00 0.00 C ATOM 1603 O GLU A 103 19.825 6.379 6.456 1.00 0.00 O ATOM 1604 CB GLU A 103 20.292 4.310 3.723 1.00 0.00 C ATOM 1605 CG GLU A 103 21.453 5.301 3.618 1.00 0.00 C ATOM 1606 CD GLU A 103 22.442 5.065 4.755 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.669 3.914 5.086 1.00 0.00 O ATOM 1608 OE2 GLU A 103 22.957 6.040 5.277 1.00 0.00 O ATOM 0 H GLU A 103 19.123 6.870 4.116 1.00 0.00 H new ATOM 0 HA GLU A 103 18.493 4.087 4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.656 3.343 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.847 4.150 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.955 5.185 2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.075 6.323 3.659 1.00 0.00 H new ATOM 1615 N GLY A 104 20.579 4.265 6.630 1.00 0.00 N ATOM 1616 CA GLY A 104 21.267 4.510 7.893 1.00 0.00 C ATOM 1617 C GLY A 104 20.435 4.016 9.071 1.00 0.00 C ATOM 1618 O GLY A 104 19.549 3.176 8.909 1.00 0.00 O ATOM 0 H GLY A 104 20.658 3.310 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.234 4.006 7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.464 5.576 8.004 1.00 0.00 H new ATOM 1622 N ARG A 105 20.723 4.542 10.257 1.00 0.00 N ATOM 1623 CA ARG A 105 19.998 4.142 11.457 1.00 0.00 C ATOM 1624 C ARG A 105 18.856 5.114 11.739 1.00 0.00 C ATOM 1625 O ARG A 105 18.985 6.318 11.518 1.00 0.00 O ATOM 1626 CB ARG A 105 20.950 4.106 12.656 1.00 0.00 C ATOM 1627 CG ARG A 105 20.230 3.498 13.861 1.00 0.00 C ATOM 1628 CD ARG A 105 21.222 3.324 15.012 1.00 0.00 C ATOM 1629 NE ARG A 105 21.579 4.623 15.572 1.00 0.00 N ATOM 1630 CZ ARG A 105 22.613 5.313 15.103 1.00 0.00 C ATOM 1631 NH1 ARG A 105 23.321 4.837 14.115 1.00 0.00 N ATOM 1632 NH2 ARG A 105 22.919 6.467 15.628 1.00 0.00 N ATOM 0 H ARG A 105 21.449 5.242 10.412 1.00 0.00 H new ATOM 0 HA ARG A 105 19.583 3.147 11.295 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.835 3.518 12.413 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.291 5.114 12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.407 4.143 14.170 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.796 2.535 13.591 1.00 0.00 H new ATOM 0 HD2 ARG A 105 20.784 2.694 15.786 1.00 0.00 H new ATOM 0 HD3 ARG A 105 22.118 2.815 14.656 1.00 0.00 H new ATOM 0 HE ARG A 105 21.025 5.008 16.337 1.00 0.00 H new ATOM 0 HH11 ARG A 105 23.080 3.935 13.703 1.00 0.00 H new ATOM 0 HH12 ARG A 105 24.115 5.367 13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 105 22.365 6.840 16.399 1.00 0.00 H new ATOM 0 HH22 ARG A 105 23.713 6.997 15.268 1.00 0.00 H new ATOM 1646 N VAL A 106 17.739 4.583 12.227 1.00 0.00 N ATOM 1647 CA VAL A 106 16.581 5.417 12.531 1.00 0.00 C ATOM 1648 C VAL A 106 16.072 5.142 13.943 1.00 0.00 C ATOM 1649 O VAL A 106 15.971 3.990 14.365 1.00 0.00 O ATOM 1650 CB VAL A 106 15.464 5.143 11.524 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.438 6.278 11.576 1.00 0.00 C ATOM 1652 CG2 VAL A 106 16.057 5.060 10.115 1.00 0.00 C ATOM 0 H VAL A 106 17.611 3.589 12.419 1.00 0.00 H new ATOM 0 HA VAL A 106 16.885 6.462 12.466 1.00 0.00 H new ATOM 0 HB VAL A 106 14.977 4.200 11.772 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.642 6.082 10.858 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.015 6.340 12.579 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.926 7.221 11.329 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.261 4.865 9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.544 6.003 9.869 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.788 4.253 10.075 1.00 0.00 H new ATOM 1662 N ASN A 107 15.752 6.210 14.666 1.00 0.00 N ATOM 1663 CA ASN A 107 15.250 6.079 16.029 1.00 0.00 C ATOM 1664 C ASN A 107 14.091 7.042 16.262 1.00 0.00 C ATOM 1665 O ASN A 107 14.236 8.253 16.092 1.00 0.00 O ATOM 1666 CB ASN A 107 16.369 6.371 17.031 1.00 0.00 C ATOM 1667 CG ASN A 107 16.575 7.876 17.158 1.00 0.00 C ATOM 1668 OD1 ASN A 107 17.587 8.440 16.558 1.00 0.00 O flip ATOM 1669 ND2 ASN A 107 15.794 8.556 17.823 1.00 0.00 N flip ATOM 0 H ASN A 107 15.831 7.171 14.333 1.00 0.00 H new ATOM 0 HA ASN A 107 14.897 5.058 16.171 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.118 5.947 18.003 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.294 5.895 16.705 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.003 8.113 18.291 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.937 9.562 17.906 1.00 0.00 H new ATOM 1676 N GLY A 108 12.941 6.499 16.646 1.00 0.00 N ATOM 1677 CA GLY A 108 11.766 7.325 16.896 1.00 0.00 C ATOM 1678 C GLY A 108 11.604 8.376 15.803 1.00 0.00 C ATOM 1679 O GLY A 108 12.221 9.440 15.858 1.00 0.00 O ATOM 0 H GLY A 108 12.798 5.499 16.790 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.876 6.697 16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.858 7.813 17.866 1.00 0.00 H new ATOM 1683 N PHE A 109 10.777 8.071 14.809 1.00 0.00 N ATOM 1684 CA PHE A 109 10.565 8.995 13.701 1.00 0.00 C ATOM 1685 C PHE A 109 9.078 9.122 13.381 1.00 0.00 C ATOM 1686 O PHE A 109 8.289 8.224 13.676 1.00 0.00 O ATOM 1687 CB PHE A 109 11.311 8.498 12.462 1.00 0.00 C ATOM 1688 CG PHE A 109 10.840 7.104 12.120 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.373 5.998 12.794 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.858 6.919 11.139 1.00 0.00 C ATOM 1691 CE1 PHE A 109 10.926 4.708 12.486 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.412 5.629 10.830 1.00 0.00 C ATOM 1693 CZ PHE A 109 9.946 4.523 11.504 1.00 0.00 C ATOM 0 H PHE A 109 10.248 7.201 14.747 1.00 0.00 H new ATOM 0 HA PHE A 109 10.946 9.974 13.992 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.133 9.170 11.623 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.385 8.496 12.647 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.129 6.141 13.552 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.445 7.772 10.621 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.337 3.855 13.006 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.656 5.486 10.072 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.601 3.528 11.266 1.00 0.00 H new ATOM 1703 N LYS A 110 8.705 10.243 12.772 1.00 0.00 N ATOM 1704 CA LYS A 110 7.316 10.472 12.393 1.00 0.00 C ATOM 1705 C LYS A 110 7.146 10.321 10.885 1.00 0.00 C ATOM 1706 O LYS A 110 7.854 10.955 10.103 1.00 0.00 O ATOM 1707 CB LYS A 110 6.882 11.876 12.822 1.00 0.00 C ATOM 1708 CG LYS A 110 5.372 12.027 12.624 1.00 0.00 C ATOM 1709 CD LYS A 110 4.974 13.491 12.817 1.00 0.00 C ATOM 1710 CE LYS A 110 5.210 13.896 14.274 1.00 0.00 C ATOM 1711 NZ LYS A 110 4.420 15.122 14.583 1.00 0.00 N ATOM 0 H LYS A 110 9.341 11.003 12.532 1.00 0.00 H new ATOM 0 HA LYS A 110 6.692 9.733 12.895 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.141 12.045 13.867 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.413 12.627 12.237 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.090 11.691 11.626 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.837 11.397 13.335 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.557 14.128 12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.925 13.632 12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.917 13.084 14.940 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.271 14.081 14.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.580 15.398 15.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.720 15.895 13.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.409 14.929 14.436 1.00 0.00 H new ATOM 1725 N SER A 111 6.206 9.472 10.483 1.00 0.00 N ATOM 1726 CA SER A 111 5.968 9.225 9.065 1.00 0.00 C ATOM 1727 C SER A 111 4.615 9.784 8.634 1.00 0.00 C ATOM 1728 O SER A 111 3.607 9.596 9.316 1.00 0.00 O ATOM 1729 CB SER A 111 6.014 7.723 8.785 1.00 0.00 C ATOM 1730 OG SER A 111 7.228 7.188 9.295 1.00 0.00 O ATOM 0 H SER A 111 5.600 8.947 11.114 1.00 0.00 H new ATOM 0 HA SER A 111 6.749 9.728 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.161 7.228 9.250 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.944 7.539 7.713 1.00 0.00 H new ATOM 0 HG SER A 111 7.583 6.525 8.666 1.00 0.00 H new ATOM 1736 N LYS A 112 4.603 10.468 7.494 1.00 0.00 N ATOM 1737 CA LYS A 112 3.368 11.030 6.959 1.00 0.00 C ATOM 1738 C LYS A 112 3.329 10.870 5.443 1.00 0.00 C ATOM 1739 O LYS A 112 4.218 11.347 4.737 1.00 0.00 O ATOM 1740 CB LYS A 112 3.266 12.513 7.322 1.00 0.00 C ATOM 1741 CG LYS A 112 1.855 13.017 7.014 1.00 0.00 C ATOM 1742 CD LYS A 112 1.829 14.545 7.091 1.00 0.00 C ATOM 1743 CE LYS A 112 2.115 14.988 8.526 1.00 0.00 C ATOM 1744 NZ LYS A 112 1.659 16.395 8.712 1.00 0.00 N ATOM 0 H LYS A 112 5.431 10.646 6.925 1.00 0.00 H new ATOM 0 HA LYS A 112 2.525 10.495 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.492 12.656 8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.000 13.088 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.549 12.687 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.144 12.595 7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.572 14.967 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.857 14.919 6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.602 14.332 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.182 14.909 8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.853 16.697 9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.168 17.015 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.637 16.456 8.528 1.00 0.00 H new ATOM 1758 N MET A 113 2.299 10.191 4.948 1.00 0.00 N ATOM 1759 CA MET A 113 2.171 9.961 3.513 1.00 0.00 C ATOM 1760 C MET A 113 0.791 10.380 3.013 1.00 0.00 C ATOM 1761 O MET A 113 -0.134 10.575 3.799 1.00 0.00 O ATOM 1762 CB MET A 113 2.397 8.482 3.201 1.00 0.00 C ATOM 1763 CG MET A 113 3.772 8.055 3.720 1.00 0.00 C ATOM 1764 SD MET A 113 3.642 7.603 5.467 1.00 0.00 S ATOM 1765 CE MET A 113 3.193 5.868 5.219 1.00 0.00 C ATOM 0 H MET A 113 1.548 9.794 5.512 1.00 0.00 H new ATOM 0 HA MET A 113 2.923 10.564 3.004 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.618 7.878 3.666 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.333 8.312 2.126 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.145 7.210 3.141 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.488 8.867 3.596 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.217 5.346 6.175 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.189 5.809 4.798 1.00 0.00 H new ATOM 0 HE3 MET A 113 3.902 5.403 4.534 1.00 0.00 H new ATOM 1775 N ASP A 114 0.666 10.512 1.696 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.601 10.903 1.088 1.00 0.00 C ATOM 1777 C ASP A 114 -0.662 10.428 -0.361 1.00 0.00 C ATOM 1778 O ASP A 114 0.340 9.983 -0.920 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.757 12.423 1.138 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.228 12.801 0.998 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -2.784 12.555 -0.059 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.777 13.331 1.951 1.00 0.00 O ATOM 0 H ASP A 114 1.424 10.355 1.032 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.414 10.439 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.362 12.807 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.177 12.883 0.338 1.00 0.00 H new ATOM 1787 N ALA A 115 -1.843 10.524 -0.963 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.016 10.099 -2.349 1.00 0.00 C ATOM 1789 C ALA A 115 -2.646 11.211 -3.180 1.00 0.00 C ATOM 1790 O ALA A 115 -3.864 11.385 -3.182 1.00 0.00 O ATOM 1791 CB ALA A 115 -2.903 8.854 -2.408 1.00 0.00 C ATOM 0 H ALA A 115 -2.686 10.888 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.033 9.867 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.027 8.544 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.437 8.048 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.879 9.082 -1.979 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.806 11.961 -3.886 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.289 13.063 -4.711 1.00 0.00 C ATOM 1799 C LEU A 116 -2.421 12.623 -6.166 1.00 0.00 C ATOM 1800 O LEU A 116 -1.710 11.728 -6.622 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.324 14.246 -4.616 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.723 14.301 -3.209 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.249 15.479 -3.112 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.844 14.481 -2.184 1.00 0.00 C ATOM 0 H LEU A 116 -0.795 11.828 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.270 13.366 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.532 14.144 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.849 15.176 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.189 13.373 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.676 15.517 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.048 15.352 -3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.284 16.408 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.418 14.520 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.378 15.409 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.536 13.642 -2.251 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.317 13.234 -6.890 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.521 12.943 -8.340 1.00 0.00 C ATOM 1818 C PRO A 117 -2.221 13.036 -9.134 1.00 0.00 C ATOM 1819 O PRO A 117 -1.283 13.723 -8.729 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.516 14.014 -8.796 1.00 0.00 C ATOM 1821 CG PRO A 117 -5.249 14.431 -7.564 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.274 14.271 -6.399 1.00 0.00 C ATOM 0 HA PRO A 117 -3.881 11.927 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.000 14.860 -9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.202 13.618 -9.545 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.588 15.464 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.136 13.815 -7.414 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.767 15.208 -6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.783 13.950 -5.490 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.173 12.342 -10.266 1.00 0.00 N ATOM 1831 CA LEU A 118 -0.985 12.364 -11.113 1.00 0.00 C ATOM 1832 C LEU A 118 -1.010 13.582 -12.032 1.00 0.00 C ATOM 1833 O LEU A 118 -1.872 13.695 -12.904 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.916 11.090 -11.956 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.751 9.877 -11.038 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.216 8.618 -11.771 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.723 9.726 -10.653 1.00 0.00 C ATOM 0 H LEU A 118 -2.935 11.762 -10.616 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.106 12.420 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.822 10.987 -12.553 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.080 11.148 -12.653 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.350 10.017 -10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.099 7.753 -11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.265 8.725 -12.048 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.616 8.478 -12.670 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.842 8.862 -9.999 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.321 9.585 -11.553 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.057 10.624 -10.133 1.00 0.00 H new ATOM 1849 N SER A 119 -0.061 14.488 -11.831 1.00 0.00 N ATOM 1850 CA SER A 119 0.013 15.696 -12.644 1.00 0.00 C ATOM 1851 C SER A 119 0.403 15.353 -14.078 1.00 0.00 C ATOM 1852 O SER A 119 0.816 14.229 -14.368 1.00 0.00 O ATOM 1853 CB SER A 119 1.039 16.661 -12.052 1.00 0.00 C ATOM 1854 OG SER A 119 0.641 17.021 -10.737 1.00 0.00 O ATOM 0 H SER A 119 0.664 14.411 -11.117 1.00 0.00 H new ATOM 0 HA SER A 119 -0.969 16.169 -12.649 1.00 0.00 H new ATOM 0 HB2 SER A 119 2.024 16.195 -12.031 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.121 17.551 -12.676 1.00 0.00 H new ATOM 0 HG SER A 119 1.298 17.639 -10.354 1.00 0.00 H new ATOM 1860 N GLU A 120 0.270 16.327 -14.972 1.00 0.00 N ATOM 1861 CA GLU A 120 0.613 16.115 -16.373 1.00 0.00 C ATOM 1862 C GLU A 120 2.058 15.644 -16.502 1.00 0.00 C ATOM 1863 O GLU A 120 2.414 14.958 -17.461 1.00 0.00 O ATOM 1864 CB GLU A 120 0.425 17.414 -17.159 1.00 0.00 C ATOM 1865 CG GLU A 120 1.448 18.449 -16.691 1.00 0.00 C ATOM 1866 CD GLU A 120 1.122 19.813 -17.292 1.00 0.00 C ATOM 1867 OE1 GLU A 120 0.178 19.889 -18.061 1.00 0.00 O ATOM 1868 OE2 GLU A 120 1.821 20.761 -16.975 1.00 0.00 O ATOM 0 H GLU A 120 -0.070 17.264 -14.754 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.046 15.348 -16.779 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.545 17.226 -18.226 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.586 17.796 -17.014 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.443 18.511 -15.603 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.451 18.142 -16.988 1.00 0.00 H new ATOM 1875 N GLU A 121 2.885 16.017 -15.530 1.00 0.00 N ATOM 1876 CA GLU A 121 4.289 15.625 -15.544 1.00 0.00 C ATOM 1877 C GLU A 121 4.419 14.106 -15.565 1.00 0.00 C ATOM 1878 O GLU A 121 5.321 13.558 -16.200 1.00 0.00 O ATOM 1879 CB GLU A 121 5.001 16.183 -14.310 1.00 0.00 C ATOM 1880 CG GLU A 121 4.995 17.712 -14.364 1.00 0.00 C ATOM 1881 CD GLU A 121 5.762 18.279 -13.175 1.00 0.00 C ATOM 1882 OE1 GLU A 121 6.069 17.515 -12.275 1.00 0.00 O ATOM 1883 OE2 GLU A 121 6.031 19.468 -13.181 1.00 0.00 O ATOM 0 H GLU A 121 2.610 16.586 -14.729 1.00 0.00 H new ATOM 0 HA GLU A 121 4.751 16.032 -16.443 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.503 15.839 -13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 121 6.026 15.814 -14.271 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.448 18.053 -15.295 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.969 18.080 -14.355 1.00 0.00 H new ATOM 1890 N TYR A 122 3.510 13.429 -14.871 1.00 0.00 N ATOM 1891 CA TYR A 122 3.530 11.972 -14.823 1.00 0.00 C ATOM 1892 C TYR A 122 3.316 11.392 -16.218 1.00 0.00 C ATOM 1893 O TYR A 122 3.992 10.443 -16.616 1.00 0.00 O ATOM 1894 CB TYR A 122 2.436 11.461 -13.883 1.00 0.00 C ATOM 1895 CG TYR A 122 2.225 9.984 -14.113 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.224 9.071 -13.758 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.035 9.530 -14.694 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.033 7.703 -13.981 1.00 0.00 C ATOM 1899 CE2 TYR A 122 0.843 8.161 -14.914 1.00 0.00 C ATOM 1900 CZ TYR A 122 1.842 7.247 -14.559 1.00 0.00 C ATOM 1901 OH TYR A 122 1.653 5.898 -14.778 1.00 0.00 O ATOM 0 H TYR A 122 2.756 13.862 -14.338 1.00 0.00 H new ATOM 0 HA TYR A 122 4.503 11.652 -14.450 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.719 11.642 -12.846 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.507 12.004 -14.059 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.143 9.422 -13.312 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.266 10.235 -14.972 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.804 6.999 -13.707 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.077 7.810 -15.358 1.00 0.00 H new ATOM 0 HH TYR A 122 0.773 5.753 -15.185 1.00 0.00 H new