USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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: B 14 LYS NZ :NH3+ -174:sc= 1.94 (180deg=0.594) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.27 K(o=4.1,f=-11!) USER MOD Set 1.3: B 84 THR OG1 : rot -169:sc= 0.885 USER MOD Set 2.1: A 52 GLN : amide:sc= -4.4! C(o=-5.6!,f=-8.9!) USER MOD Set 2.2: B 56 SER OG : rot 69:sc= 2.54 USER MOD Set 2.3: B 60 LYS NZ :NH3+ -179:sc= -1.18! (180deg=-2.45!) USER MOD Set 2.4: B 64 GLN : amide:sc= -2.56! C(o=-5.6!,f=-22!) USER MOD Set 3.1: B 51 LYS NZ :NH3+ -169:sc=-0.00899 (180deg=-0.143) USER MOD Set 3.2: B 52 CYS SG : rot 111:sc= -5.05! USER MOD Set 4.1: B 18 LYS NZ :NH3+ -167:sc= 2.32 (180deg=0.669) USER MOD Set 4.2: B 20 GLN : amide:sc= 1.01 K(o=3.3,f=-12!) USER MOD Single : B 13 LYS NZ :NH3+ -129:sc= 0.845 (180deg=-4.02!) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.781 F(o=-2.9!,f=-0.78) USER MOD Single : B 19 LYS NZ :NH3+ -123:sc= -1.28 (180deg=-2.97!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 160:sc= 0 (180deg=-0.495) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0.00182 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.26) USER MOD Single : B 46 MET CE :methyl -118:sc= 0 (180deg=-1.14) USER MOD Single : B 47 TYR OH : rot 136:sc= 1.21 USER MOD Single : B 53 GLN : amide:sc= -1.8 X(o=-1.8,f=-2.1) USER MOD Single : B 54 LYS NZ :NH3+ 167:sc= 1.17 (180deg=1.08) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -3.17! C(o=-3.2!,f=-3.7!) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -0.928 F(o=-1.9,f=-0.93) USER MOD Single : B 74 THR OG1 : rot 35:sc= 0.121 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.5!) USER MOD Single : B 78 HIS : no HD1:sc= -3.03! X(o=-3!,f=-3.3) USER MOD Single : B 80 SER OG : rot -56:sc= 0.929 USER MOD Single : B 83 SER OG : rot 71:sc= 0.112 USER MOD Single : B 87 LYS NZ :NH3+ 139:sc= 1.16 (180deg=-0.0176!) USER MOD Single : B 93 LYS NZ :NH3+ -127:sc= 0.819 (180deg=-0.126) USER MOD Single : B 97 GLN : amide:sc= 0.884 K(o=0.88,f=-0.14) USER MOD Single : B 98 GLN : amide:sc= 0.365 X(o=0.37,f=0) USER MOD Single : B 102 LYS NZ :NH3+ 162:sc= 1.26 (180deg=0.49) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.621 8.397 14.036 1.00 0.00 N ATOM 135 CA ILE A 50 -1.338 7.747 12.986 1.00 0.00 C ATOM 136 C ILE A 50 -2.032 6.475 13.450 1.00 0.00 C ATOM 137 O ILE A 50 -1.402 5.448 13.693 1.00 0.00 O ATOM 138 CB ILE A 50 -0.401 7.448 11.797 1.00 0.00 C ATOM 139 CG1 ILE A 50 -0.330 8.635 10.865 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.880 6.265 11.013 1.00 0.00 C ATOM 141 CD1 ILE A 50 0.787 8.527 9.858 1.00 0.00 C ATOM 0 HA ILE A 50 -2.120 8.435 12.663 1.00 0.00 H new ATOM 0 HB ILE A 50 0.585 7.236 12.211 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.279 8.733 10.338 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.196 9.544 11.452 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.199 6.079 10.182 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.911 5.388 11.660 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.879 6.465 10.626 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.786 9.409 9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.742 8.458 10.380 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.642 7.636 9.248 1.00 0.00 H new ATOM 153 N GLU A 51 -3.332 6.611 13.613 1.00 0.00 N ATOM 154 CA GLU A 51 -4.236 5.514 13.951 1.00 0.00 C ATOM 155 C GLU A 51 -5.670 6.005 13.828 1.00 0.00 C ATOM 156 O GLU A 51 -6.576 5.586 14.540 1.00 0.00 O ATOM 157 CB GLU A 51 -3.963 4.870 15.310 1.00 0.00 C ATOM 158 CG GLU A 51 -3.161 3.578 15.185 1.00 0.00 C ATOM 159 CD GLU A 51 -3.678 2.678 14.074 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.588 1.866 14.334 1.00 0.00 O ATOM 161 OE2 GLU A 51 -3.181 2.792 12.931 1.00 0.00 O ATOM 0 H GLU A 51 -3.808 7.508 13.513 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.056 4.709 13.239 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.419 5.573 15.941 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.910 4.661 15.808 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.115 3.820 14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.197 3.039 16.132 1.00 0.00 H new ATOM 168 N GLN A 52 -5.825 6.926 12.892 1.00 0.00 N ATOM 169 CA GLN A 52 -7.102 7.510 12.533 1.00 0.00 C ATOM 170 C GLN A 52 -7.411 7.001 11.154 1.00 0.00 C ATOM 171 O GLN A 52 -7.214 7.661 10.129 1.00 0.00 O ATOM 172 CB GLN A 52 -7.054 9.046 12.601 1.00 0.00 C ATOM 173 CG GLN A 52 -6.101 9.712 11.604 1.00 0.00 C ATOM 174 CD GLN A 52 -4.648 9.290 11.755 1.00 0.00 C ATOM 175 OE1 GLN A 52 -3.935 9.787 12.613 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.194 8.377 10.900 1.00 0.00 N ATOM 0 H GLN A 52 -5.045 7.296 12.348 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.889 7.224 13.231 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.059 9.433 12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.764 9.340 13.609 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.432 9.480 10.592 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.168 10.794 11.721 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.818 7.983 10.196 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.222 8.071 10.949 1.00 0.00 H new ATOM 185 N TRP A 53 -7.846 5.779 11.141 1.00 0.00 N ATOM 186 CA TRP A 53 -8.099 5.099 9.919 1.00 0.00 C ATOM 187 C TRP A 53 -9.495 4.553 9.846 1.00 0.00 C ATOM 188 O TRP A 53 -10.291 4.665 10.772 1.00 0.00 O ATOM 189 CB TRP A 53 -7.132 3.926 9.814 1.00 0.00 C ATOM 190 CG TRP A 53 -5.686 4.306 9.849 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.972 4.790 10.890 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.790 4.208 8.774 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.672 5.019 10.511 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.536 4.665 9.199 1.00 0.00 C ATOM 195 CE3 TRP A 53 -4.947 3.780 7.492 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.437 4.699 8.338 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -3.894 3.807 6.651 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.648 4.261 7.063 1.00 0.00 C ATOM 0 H TRP A 53 -8.034 5.229 11.979 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.970 5.815 9.107 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.332 3.233 10.631 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.331 3.390 8.886 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.368 4.971 11.879 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.933 5.391 11.108 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.907 3.422 7.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.470 5.053 8.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.022 3.468 5.634 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.829 4.268 6.359 1.00 0.00 H new ATOM 209 N PHE A 54 -9.772 4.027 8.683 1.00 0.00 N ATOM 210 CA PHE A 54 -10.996 3.343 8.404 1.00 0.00 C ATOM 211 C PHE A 54 -10.548 1.966 8.053 1.00 0.00 C ATOM 212 O PHE A 54 -10.105 1.733 6.926 1.00 0.00 O ATOM 213 CB PHE A 54 -11.743 3.962 7.235 1.00 0.00 C ATOM 214 CG PHE A 54 -11.770 5.450 7.273 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.105 6.116 8.435 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.477 6.183 6.144 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.145 7.479 8.472 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.522 7.546 6.167 1.00 0.00 C ATOM 219 CZ PHE A 54 -11.861 8.206 7.336 1.00 0.00 C ATOM 0 H PHE A 54 -9.135 4.066 7.888 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.687 3.383 9.246 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.278 3.638 6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.767 3.587 7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.338 5.551 9.325 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.209 5.673 5.231 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.399 7.988 9.390 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.294 8.110 5.275 1.00 0.00 H new ATOM 0 HZ PHE A 54 -11.903 9.285 7.358 1.00 0.00 H new ATOM 246 N GLU A 56 -10.741 -0.722 6.575 1.00 0.00 N ATOM 247 CA GLU A 56 -11.436 -1.372 5.471 1.00 0.00 C ATOM 248 C GLU A 56 -11.591 -2.866 5.710 1.00 0.00 C ATOM 249 O GLU A 56 -12.669 -3.434 5.534 1.00 0.00 O ATOM 250 CB GLU A 56 -10.638 -1.139 4.199 1.00 0.00 C ATOM 251 CG GLU A 56 -11.065 0.107 3.435 1.00 0.00 C ATOM 252 CD GLU A 56 -11.710 -0.242 2.106 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.202 -1.156 1.419 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.709 0.403 1.728 1.00 0.00 O ATOM 0 HA GLU A 56 -12.436 -0.947 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.581 -1.056 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.743 -2.008 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.766 0.682 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.197 0.743 3.262 1.00 0.00 H new ATOM 261 N ASP A 57 -10.503 -3.489 6.108 1.00 0.00 N ATOM 262 CA ASP A 57 -10.496 -4.907 6.397 1.00 0.00 C ATOM 263 C ASP A 57 -10.061 -5.108 7.838 1.00 0.00 C ATOM 264 O ASP A 57 -9.054 -4.543 8.256 1.00 0.00 O ATOM 265 CB ASP A 57 -9.562 -5.641 5.432 1.00 0.00 C ATOM 266 CG ASP A 57 -9.656 -7.144 5.563 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.110 -7.688 6.539 1.00 0.00 O ATOM 268 OD2 ASP A 57 -10.271 -7.785 4.685 1.00 0.00 O ATOM 0 H ASP A 57 -9.602 -3.030 6.240 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.496 -5.320 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.804 -5.353 4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.535 -5.327 5.617 1.00 0.00 H new ATOM 415 N GLU B 7 3.905 -9.134 -11.890 1.00 0.00 N ATOM 416 CA GLU B 7 3.408 -8.112 -12.788 1.00 0.00 C ATOM 417 C GLU B 7 3.112 -6.839 -11.994 1.00 0.00 C ATOM 418 O GLU B 7 2.866 -6.890 -10.790 1.00 0.00 O ATOM 419 CB GLU B 7 2.171 -8.628 -13.545 1.00 0.00 C ATOM 420 CG GLU B 7 0.868 -7.927 -13.203 1.00 0.00 C ATOM 421 CD GLU B 7 0.231 -8.507 -11.966 1.00 0.00 C ATOM 422 OE1 GLU B 7 0.978 -8.832 -11.020 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.005 -8.653 -11.943 1.00 0.00 O ATOM 0 HA GLU B 7 4.164 -7.871 -13.536 1.00 0.00 H new ATOM 0 HB2 GLU B 7 2.350 -8.526 -14.615 1.00 0.00 H new ATOM 0 HB3 GLU B 7 2.057 -9.693 -13.341 1.00 0.00 H new ATOM 0 HG2 GLU B 7 1.056 -6.864 -13.052 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.178 -8.012 -14.042 1.00 0.00 H new ATOM 430 N VAL B 8 3.214 -5.696 -12.641 1.00 0.00 N ATOM 431 CA VAL B 8 2.947 -4.442 -11.973 1.00 0.00 C ATOM 432 C VAL B 8 1.521 -3.997 -12.269 1.00 0.00 C ATOM 433 O VAL B 8 1.208 -3.559 -13.376 1.00 0.00 O ATOM 434 CB VAL B 8 3.949 -3.354 -12.395 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.849 -2.154 -11.468 1.00 0.00 C ATOM 436 CG2 VAL B 8 5.366 -3.915 -12.403 1.00 0.00 C ATOM 0 H VAL B 8 3.478 -5.611 -13.622 1.00 0.00 H new ATOM 0 HA VAL B 8 3.063 -4.594 -10.900 1.00 0.00 H new ATOM 0 HB VAL B 8 3.705 -3.026 -13.405 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.564 -1.393 -11.780 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.840 -1.744 -11.512 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.071 -2.464 -10.447 1.00 0.00 H new ATOM 0 HG21 VAL B 8 6.065 -3.134 -12.703 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.623 -4.268 -11.404 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.425 -4.745 -13.107 1.00 0.00 H new ATOM 446 N LEU B 9 0.669 -4.118 -11.265 1.00 0.00 N ATOM 447 CA LEU B 9 -0.733 -3.768 -11.380 1.00 0.00 C ATOM 448 C LEU B 9 -0.923 -2.277 -11.256 1.00 0.00 C ATOM 449 O LEU B 9 -1.645 -1.664 -12.039 1.00 0.00 O ATOM 450 CB LEU B 9 -1.548 -4.457 -10.283 1.00 0.00 C ATOM 451 CG LEU B 9 -1.947 -5.903 -10.559 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.407 -6.576 -9.277 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.049 -5.962 -11.603 1.00 0.00 C ATOM 0 H LEU B 9 0.934 -4.464 -10.343 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.077 -4.099 -12.360 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.972 -4.429 -9.358 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.455 -3.877 -10.112 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.075 -6.433 -10.943 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.689 -7.607 -9.488 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.596 -6.563 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.266 -6.041 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.321 -7.001 -11.787 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.922 -5.417 -11.242 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.697 -5.510 -12.530 1.00 0.00 H new ATOM 465 N LEU B 10 -0.272 -1.686 -10.269 1.00 0.00 N ATOM 466 CA LEU B 10 -0.426 -0.265 -10.058 1.00 0.00 C ATOM 467 C LEU B 10 0.869 0.396 -9.630 1.00 0.00 C ATOM 468 O LEU B 10 1.554 -0.078 -8.724 1.00 0.00 O ATOM 469 CB LEU B 10 -1.462 -0.005 -8.972 1.00 0.00 C ATOM 470 CG LEU B 10 -2.258 1.294 -9.142 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.122 1.238 -10.394 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.118 1.564 -7.920 1.00 0.00 C ATOM 0 H LEU B 10 0.354 -2.159 -9.617 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.741 0.158 -11.012 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.160 -0.842 -8.947 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.958 0.018 -8.006 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.546 2.112 -9.250 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.678 2.170 -10.494 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.487 1.098 -11.269 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.821 0.405 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.674 2.491 -8.064 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.817 0.740 -7.778 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.481 1.655 -7.040 1.00 0.00 H new ATOM 484 N ILE B 11 1.205 1.476 -10.304 1.00 0.00 N ATOM 485 CA ILE B 11 2.373 2.265 -9.954 1.00 0.00 C ATOM 486 C ILE B 11 1.908 3.581 -9.357 1.00 0.00 C ATOM 487 O ILE B 11 1.400 4.455 -10.061 1.00 0.00 O ATOM 488 CB ILE B 11 3.293 2.545 -11.162 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.825 1.229 -11.729 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.444 3.462 -10.753 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.778 1.397 -12.893 1.00 0.00 C ATOM 0 H ILE B 11 0.682 1.832 -11.104 1.00 0.00 H new ATOM 0 HA ILE B 11 2.959 1.690 -9.237 1.00 0.00 H new ATOM 0 HB ILE B 11 2.716 3.049 -11.937 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.332 0.682 -10.934 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.982 0.617 -12.049 1.00 0.00 H new ATOM 0 HG21 ILE B 11 5.084 3.650 -11.615 1.00 0.00 H new ATOM 0 HG22 ILE B 11 4.044 4.407 -10.385 1.00 0.00 H new ATOM 0 HG23 ILE B 11 5.027 2.985 -9.966 1.00 0.00 H new ATOM 0 HD11 ILE B 11 5.109 0.417 -13.236 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.270 1.914 -13.707 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.642 1.981 -12.575 1.00 0.00 H new ATOM 503 N VAL B 12 2.073 3.706 -8.058 1.00 0.00 N ATOM 504 CA VAL B 12 1.677 4.902 -7.343 1.00 0.00 C ATOM 505 C VAL B 12 2.897 5.766 -7.096 1.00 0.00 C ATOM 506 O VAL B 12 3.988 5.253 -6.858 1.00 0.00 O ATOM 507 CB VAL B 12 1.008 4.559 -6.001 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.164 5.721 -5.511 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.166 3.299 -6.126 1.00 0.00 C ATOM 0 H VAL B 12 2.485 2.983 -7.468 1.00 0.00 H new ATOM 0 HA VAL B 12 0.952 5.441 -7.953 1.00 0.00 H new ATOM 0 HB VAL B 12 1.792 4.373 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.300 5.458 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.796 6.598 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.611 5.942 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.298 3.075 -5.166 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.609 3.453 -6.877 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.801 2.465 -6.426 1.00 0.00 H new ATOM 519 N LYS B 13 2.719 7.068 -7.152 1.00 0.00 N ATOM 520 CA LYS B 13 3.829 7.989 -6.964 1.00 0.00 C ATOM 521 C LYS B 13 3.631 8.847 -5.734 1.00 0.00 C ATOM 522 O LYS B 13 2.542 8.889 -5.162 1.00 0.00 O ATOM 523 CB LYS B 13 3.991 8.888 -8.185 1.00 0.00 C ATOM 524 CG LYS B 13 3.571 8.222 -9.474 1.00 0.00 C ATOM 525 CD LYS B 13 2.158 8.628 -9.863 1.00 0.00 C ATOM 526 CE LYS B 13 1.505 7.599 -10.770 1.00 0.00 C ATOM 527 NZ LYS B 13 0.342 6.940 -10.114 1.00 0.00 N ATOM 0 H LYS B 13 1.819 7.516 -7.326 1.00 0.00 H new ATOM 0 HA LYS B 13 4.730 7.390 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.401 9.793 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.033 9.196 -8.266 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.264 8.494 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.624 7.139 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS B 13 1.555 8.754 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS B 13 2.183 9.594 -10.368 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.177 8.082 -11.690 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.239 6.844 -11.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.440 5.907 -10.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 0.309 7.213 -9.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -0.537 7.239 -10.583 1.00 0.00 H new ATOM 541 N LYS B 14 4.701 9.540 -5.353 1.00 0.00 N ATOM 542 CA LYS B 14 4.701 10.416 -4.197 1.00 0.00 C ATOM 543 C LYS B 14 4.266 9.668 -2.941 1.00 0.00 C ATOM 544 O LYS B 14 3.710 10.255 -2.009 1.00 0.00 O ATOM 545 CB LYS B 14 3.791 11.603 -4.478 1.00 0.00 C ATOM 546 CG LYS B 14 4.466 12.741 -5.236 1.00 0.00 C ATOM 547 CD LYS B 14 5.265 13.653 -4.314 1.00 0.00 C ATOM 548 CE LYS B 14 4.372 14.650 -3.585 1.00 0.00 C ATOM 549 NZ LYS B 14 3.634 15.544 -4.520 1.00 0.00 N ATOM 0 H LYS B 14 5.594 9.506 -5.844 1.00 0.00 H new ATOM 0 HA LYS B 14 5.714 10.776 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.930 11.259 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.410 11.987 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.128 12.326 -5.997 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.709 13.327 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.805 13.049 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS B 14 6.012 14.193 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.657 14.108 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.981 15.255 -2.913 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.121 16.267 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.308 16.007 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.956 14.983 -5.075 1.00 0.00 H new ATOM 563 N VAL B 15 4.523 8.366 -2.920 1.00 0.00 N ATOM 564 CA VAL B 15 4.167 7.549 -1.768 1.00 0.00 C ATOM 565 C VAL B 15 5.342 7.482 -0.814 1.00 0.00 C ATOM 566 O VAL B 15 6.422 7.043 -1.188 1.00 0.00 O ATOM 567 CB VAL B 15 3.731 6.117 -2.159 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.156 5.391 -0.952 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.717 6.168 -3.285 1.00 0.00 C ATOM 0 H VAL B 15 4.973 7.857 -3.681 1.00 0.00 H new ATOM 0 HA VAL B 15 3.311 8.023 -1.288 1.00 0.00 H new ATOM 0 HB VAL B 15 4.605 5.566 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.854 4.385 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.912 5.331 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.290 5.936 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.418 5.154 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.842 6.731 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.161 6.655 -4.153 1.00 0.00 H new ATOM 579 N ARG B 16 5.133 7.930 0.408 1.00 0.00 N ATOM 580 CA ARG B 16 6.183 7.944 1.403 1.00 0.00 C ATOM 581 C ARG B 16 5.968 6.870 2.459 1.00 0.00 C ATOM 582 O ARG B 16 4.859 6.381 2.661 1.00 0.00 O ATOM 583 CB ARG B 16 6.257 9.315 2.088 1.00 0.00 C ATOM 584 CG ARG B 16 6.100 10.492 1.140 1.00 0.00 C ATOM 585 CD ARG B 16 6.357 11.817 1.843 1.00 0.00 C ATOM 586 NE ARG B 16 7.777 12.170 1.861 1.00 0.00 N ATOM 587 CZ ARG B 16 8.419 12.646 2.924 1.00 0.00 C ATOM 588 NH1 ARG B 16 7.774 12.822 4.076 1.00 0.00 N ATOM 589 NH2 ARG B 16 9.709 12.943 2.831 1.00 0.00 N ATOM 0 H ARG B 16 4.237 8.292 0.736 1.00 0.00 H new ATOM 0 HA ARG B 16 7.120 7.740 0.885 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.480 9.370 2.851 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.215 9.401 2.602 1.00 0.00 H new ATOM 0 HG2 ARG B 16 6.792 10.382 0.305 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.094 10.491 0.722 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.795 12.606 1.343 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.986 11.761 2.866 1.00 0.00 H new ATOM 0 HE ARG B 16 8.310 12.042 1.001 1.00 0.00 H new ATOM 0 HH11 ARG B 16 6.783 12.591 4.146 1.00 0.00 H new ATOM 0 HH12 ARG B 16 8.271 13.187 4.888 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.202 12.806 1.948 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.208 13.309 3.642 1.00 0.00 H new ATOM 603 N GLN B 17 7.057 6.498 3.096 1.00 0.00 N ATOM 604 CA GLN B 17 7.059 5.526 4.171 1.00 0.00 C ATOM 605 C GLN B 17 8.024 6.045 5.226 1.00 0.00 C ATOM 606 O GLN B 17 9.203 6.226 4.925 1.00 0.00 O ATOM 607 CB GLN B 17 7.490 4.150 3.651 1.00 0.00 C ATOM 608 CG GLN B 17 6.901 2.984 4.432 1.00 0.00 C ATOM 609 CD GLN B 17 7.712 2.618 5.661 1.00 0.00 C ATOM 610 OE1 GLN B 17 9.029 2.704 5.557 1.00 0.00 O flip ATOM 611 NE2 GLN B 17 7.161 2.246 6.691 1.00 0.00 N flip ATOM 0 H GLN B 17 7.982 6.868 2.879 1.00 0.00 H new ATOM 0 HA GLN B 17 6.062 5.401 4.593 1.00 0.00 H new ATOM 0 HB2 GLN B 17 7.197 4.059 2.605 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.578 4.084 3.684 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.885 3.235 4.737 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.832 2.115 3.778 1.00 0.00 H new ATOM 0 HE21 GLN B 17 6.143 2.192 6.734 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.720 1.990 7.505 1.00 0.00 H new ATOM 620 N LYS B 18 7.513 6.317 6.431 1.00 0.00 N ATOM 621 CA LYS B 18 8.310 6.881 7.532 1.00 0.00 C ATOM 622 C LYS B 18 9.089 8.104 7.029 1.00 0.00 C ATOM 623 O LYS B 18 10.325 8.140 7.036 1.00 0.00 O ATOM 624 CB LYS B 18 9.226 5.837 8.219 1.00 0.00 C ATOM 625 CG LYS B 18 10.345 5.263 7.356 1.00 0.00 C ATOM 626 CD LYS B 18 11.485 4.705 8.197 1.00 0.00 C ATOM 627 CE LYS B 18 12.195 5.797 8.987 1.00 0.00 C ATOM 628 NZ LYS B 18 12.519 6.980 8.143 1.00 0.00 N ATOM 0 H LYS B 18 6.536 6.153 6.673 1.00 0.00 H new ATOM 0 HA LYS B 18 7.622 7.202 8.314 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.673 6.298 9.100 1.00 0.00 H new ATOM 0 HB3 LYS B 18 8.605 5.013 8.571 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.944 4.474 6.720 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.729 6.041 6.696 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.095 3.954 8.885 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.202 4.201 7.548 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.565 6.109 9.820 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.114 5.395 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.186 7.596 8.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.951 6.663 7.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 11.647 7.508 7.937 1.00 0.00 H new ATOM 642 N LYS B 19 8.310 9.105 6.609 1.00 0.00 N ATOM 643 CA LYS B 19 8.788 10.375 6.044 1.00 0.00 C ATOM 644 C LYS B 19 9.879 10.198 4.987 1.00 0.00 C ATOM 645 O LYS B 19 10.799 11.009 4.882 1.00 0.00 O ATOM 646 CB LYS B 19 9.214 11.383 7.124 1.00 0.00 C ATOM 647 CG LYS B 19 10.310 10.915 8.061 1.00 0.00 C ATOM 648 CD LYS B 19 10.073 11.426 9.469 1.00 0.00 C ATOM 649 CE LYS B 19 8.823 10.811 10.083 1.00 0.00 C ATOM 650 NZ LYS B 19 7.625 11.672 9.929 1.00 0.00 N ATOM 0 H LYS B 19 7.292 9.054 6.654 1.00 0.00 H new ATOM 0 HA LYS B 19 7.924 10.796 5.530 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.547 12.297 6.632 1.00 0.00 H new ATOM 0 HB3 LYS B 19 8.338 11.643 7.719 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.348 9.826 8.067 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.277 11.266 7.700 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.937 11.194 10.092 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.975 12.511 9.451 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.633 9.844 9.617 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.998 10.625 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 7.221 11.876 10.866 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.895 12.564 9.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.917 11.181 9.347 1.00 0.00 H new ATOM 664 N GLN B 20 9.754 9.145 4.194 1.00 0.00 N ATOM 665 CA GLN B 20 10.683 8.883 3.108 1.00 0.00 C ATOM 666 C GLN B 20 9.875 8.676 1.839 1.00 0.00 C ATOM 667 O GLN B 20 9.083 7.743 1.751 1.00 0.00 O ATOM 668 CB GLN B 20 11.552 7.659 3.407 1.00 0.00 C ATOM 669 CG GLN B 20 12.843 8.002 4.132 1.00 0.00 C ATOM 670 CD GLN B 20 13.618 6.774 4.565 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.480 6.302 5.696 1.00 0.00 O ATOM 672 NE2 GLN B 20 14.436 6.245 3.669 1.00 0.00 N ATOM 0 H GLN B 20 9.010 8.453 4.285 1.00 0.00 H new ATOM 0 HA GLN B 20 11.359 9.729 2.988 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.980 6.955 4.011 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.792 7.155 2.471 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.470 8.610 3.480 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.612 8.608 5.008 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.521 6.667 2.744 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.982 5.416 3.903 1.00 0.00 H new ATOM 681 N ASP B 21 10.072 9.549 0.868 1.00 0.00 N ATOM 682 CA ASP B 21 9.317 9.499 -0.380 1.00 0.00 C ATOM 683 C ASP B 21 9.845 8.476 -1.374 1.00 0.00 C ATOM 684 O ASP B 21 11.048 8.224 -1.478 1.00 0.00 O ATOM 685 CB ASP B 21 9.259 10.888 -1.027 1.00 0.00 C ATOM 686 CG ASP B 21 10.468 11.740 -0.697 1.00 0.00 C ATOM 687 OD1 ASP B 21 10.500 12.301 0.425 1.00 0.00 O ATOM 688 OD2 ASP B 21 11.377 11.844 -1.536 1.00 0.00 O ATOM 0 H ASP B 21 10.752 10.308 0.916 1.00 0.00 H new ATOM 0 HA ASP B 21 8.312 9.174 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.183 10.777 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.357 11.401 -0.695 1.00 0.00 H new ATOM 693 N GLY B 22 8.900 7.869 -2.077 1.00 0.00 N ATOM 694 CA GLY B 22 9.200 6.886 -3.083 1.00 0.00 C ATOM 695 C GLY B 22 7.990 6.603 -3.950 1.00 0.00 C ATOM 696 O GLY B 22 7.241 7.517 -4.311 1.00 0.00 O ATOM 0 H GLY B 22 7.904 8.052 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.022 7.238 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.533 5.964 -2.607 1.00 0.00 H new ATOM 700 N ALA B 23 7.760 5.335 -4.241 1.00 0.00 N ATOM 701 CA ALA B 23 6.649 4.939 -5.081 1.00 0.00 C ATOM 702 C ALA B 23 6.097 3.599 -4.628 1.00 0.00 C ATOM 703 O ALA B 23 6.855 2.713 -4.227 1.00 0.00 O ATOM 704 CB ALA B 23 7.098 4.877 -6.527 1.00 0.00 C ATOM 0 H ALA B 23 8.332 4.560 -3.905 1.00 0.00 H new ATOM 0 HA ALA B 23 5.853 5.678 -4.995 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.259 4.579 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.455 5.858 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.903 4.149 -6.627 1.00 0.00 H new ATOM 710 N LEU B 24 4.787 3.452 -4.714 1.00 0.00 N ATOM 711 CA LEU B 24 4.121 2.234 -4.282 1.00 0.00 C ATOM 712 C LEU B 24 3.779 1.390 -5.509 1.00 0.00 C ATOM 713 O LEU B 24 3.179 1.880 -6.461 1.00 0.00 O ATOM 714 CB LEU B 24 2.849 2.607 -3.509 1.00 0.00 C ATOM 715 CG LEU B 24 2.418 1.661 -2.379 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.992 1.968 -1.951 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.543 0.205 -2.780 1.00 0.00 C ATOM 0 H LEU B 24 4.158 4.166 -5.082 1.00 0.00 H new ATOM 0 HA LEU B 24 4.773 1.655 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.990 3.601 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.028 2.679 -4.222 1.00 0.00 H new ATOM 0 HG LEU B 24 3.091 1.828 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.699 1.290 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.932 2.997 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.321 1.837 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.228 -0.429 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.911 0.011 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.580 -0.015 -3.031 1.00 0.00 H new ATOM 729 N TYR B 25 4.178 0.132 -5.487 1.00 0.00 N ATOM 730 CA TYR B 25 3.921 -0.772 -6.605 1.00 0.00 C ATOM 731 C TYR B 25 3.021 -1.936 -6.192 1.00 0.00 C ATOM 732 O TYR B 25 3.319 -2.660 -5.241 1.00 0.00 O ATOM 733 CB TYR B 25 5.238 -1.321 -7.166 1.00 0.00 C ATOM 734 CG TYR B 25 6.128 -0.277 -7.802 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.954 0.530 -7.029 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.150 -0.107 -9.179 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.772 1.478 -7.610 1.00 0.00 C ATOM 738 CE2 TYR B 25 6.967 0.839 -9.768 1.00 0.00 C ATOM 739 CZ TYR B 25 7.774 1.629 -8.980 1.00 0.00 C ATOM 740 OH TYR B 25 8.588 2.572 -9.565 1.00 0.00 O ATOM 0 H TYR B 25 4.682 -0.292 -4.709 1.00 0.00 H new ATOM 0 HA TYR B 25 3.408 -0.196 -7.375 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.788 -1.808 -6.360 1.00 0.00 H new ATOM 0 HB3 TYR B 25 5.012 -2.088 -7.906 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.956 0.413 -5.955 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.518 -0.724 -9.801 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.407 2.098 -6.994 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.973 0.958 -10.841 1.00 0.00 H new ATOM 0 HH TYR B 25 8.470 2.548 -10.538 1.00 0.00 H new ATOM 750 N LEU B 26 1.917 -2.105 -6.910 1.00 0.00 N ATOM 751 CA LEU B 26 0.984 -3.195 -6.639 1.00 0.00 C ATOM 752 C LEU B 26 1.263 -4.358 -7.573 1.00 0.00 C ATOM 753 O LEU B 26 1.449 -4.146 -8.771 1.00 0.00 O ATOM 754 CB LEU B 26 -0.469 -2.753 -6.841 1.00 0.00 C ATOM 755 CG LEU B 26 -0.941 -1.585 -5.982 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.454 -1.460 -6.042 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.492 -1.758 -4.554 1.00 0.00 C ATOM 0 H LEU B 26 1.645 -1.501 -7.686 1.00 0.00 H new ATOM 0 HA LEU B 26 1.124 -3.494 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.603 -2.484 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.118 -3.607 -6.645 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.497 -0.671 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.775 -0.622 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.764 -1.290 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.910 -2.379 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.839 -0.914 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.908 -2.682 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.596 -1.804 -4.518 1.00 0.00 H new ATOM 769 N MET B 27 1.300 -5.569 -7.026 1.00 0.00 N ATOM 770 CA MET B 27 1.538 -6.773 -7.820 1.00 0.00 C ATOM 771 C MET B 27 0.427 -7.785 -7.557 1.00 0.00 C ATOM 772 O MET B 27 -0.244 -7.717 -6.529 1.00 0.00 O ATOM 773 CB MET B 27 2.900 -7.391 -7.493 1.00 0.00 C ATOM 774 CG MET B 27 4.060 -6.414 -7.613 1.00 0.00 C ATOM 775 SD MET B 27 5.639 -7.134 -7.119 1.00 0.00 S ATOM 776 CE MET B 27 6.731 -5.731 -7.328 1.00 0.00 C ATOM 0 H MET B 27 1.167 -5.745 -6.030 1.00 0.00 H new ATOM 0 HA MET B 27 1.540 -6.497 -8.874 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.875 -7.788 -6.478 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.076 -8.234 -8.161 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.131 -6.067 -8.644 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.857 -5.539 -6.996 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.640 -5.888 -6.747 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.988 -5.624 -8.382 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.231 -4.826 -6.983 1.00 0.00 H new ATOM 786 N ALA B 28 0.263 -8.720 -8.481 1.00 0.00 N ATOM 787 CA ALA B 28 -0.778 -9.751 -8.424 1.00 0.00 C ATOM 788 C ALA B 28 -0.941 -10.411 -7.056 1.00 0.00 C ATOM 789 O ALA B 28 -2.057 -10.511 -6.541 1.00 0.00 O ATOM 790 CB ALA B 28 -0.484 -10.821 -9.463 1.00 0.00 C ATOM 0 H ALA B 28 0.856 -8.790 -9.308 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.719 -9.240 -8.628 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.256 -11.589 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.471 -10.371 -10.456 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.487 -11.272 -9.257 1.00 0.00 H new ATOM 796 N GLU B 29 0.153 -10.867 -6.468 1.00 0.00 N ATOM 797 CA GLU B 29 0.080 -11.553 -5.186 1.00 0.00 C ATOM 798 C GLU B 29 0.805 -10.808 -4.072 1.00 0.00 C ATOM 799 O GLU B 29 0.876 -11.303 -2.942 1.00 0.00 O ATOM 800 CB GLU B 29 0.650 -12.974 -5.314 1.00 0.00 C ATOM 801 CG GLU B 29 1.714 -13.134 -6.399 1.00 0.00 C ATOM 802 CD GLU B 29 2.953 -12.293 -6.151 1.00 0.00 C ATOM 803 OE1 GLU B 29 2.929 -11.089 -6.470 1.00 0.00 O ATOM 804 OE2 GLU B 29 3.956 -12.835 -5.640 1.00 0.00 O ATOM 0 H GLU B 29 1.094 -10.777 -6.852 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.974 -11.594 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.079 -13.268 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.169 -13.663 -5.521 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.002 -14.183 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.285 -12.861 -7.363 1.00 0.00 H new ATOM 811 N ARG B 30 1.308 -9.615 -4.347 1.00 0.00 N ATOM 812 CA ARG B 30 2.039 -8.890 -3.315 1.00 0.00 C ATOM 813 C ARG B 30 2.067 -7.388 -3.547 1.00 0.00 C ATOM 814 O ARG B 30 1.749 -6.897 -4.624 1.00 0.00 O ATOM 815 CB ARG B 30 3.477 -9.419 -3.221 1.00 0.00 C ATOM 816 CG ARG B 30 4.424 -8.816 -4.245 1.00 0.00 C ATOM 817 CD ARG B 30 5.746 -9.561 -4.297 1.00 0.00 C ATOM 818 NE ARG B 30 5.674 -10.728 -5.169 1.00 0.00 N ATOM 819 CZ ARG B 30 6.568 -11.015 -6.109 1.00 0.00 C ATOM 820 NH1 ARG B 30 7.609 -10.215 -6.313 1.00 0.00 N ATOM 821 NH2 ARG B 30 6.405 -12.099 -6.855 1.00 0.00 N ATOM 0 H ARG B 30 1.229 -9.138 -5.245 1.00 0.00 H new ATOM 0 HA ARG B 30 1.508 -9.061 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.863 -9.218 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.464 -10.502 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.956 -8.837 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.606 -7.770 -4.000 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.528 -8.890 -4.651 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.027 -9.875 -3.292 1.00 0.00 H new ATOM 0 HE ARG B 30 4.886 -11.365 -5.049 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.725 -9.375 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.292 -10.441 -7.036 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.598 -12.705 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.086 -12.327 -7.579 1.00 0.00 H new ATOM 835 N ILE B 31 2.448 -6.672 -2.506 1.00 0.00 N ATOM 836 CA ILE B 31 2.567 -5.230 -2.556 1.00 0.00 C ATOM 837 C ILE B 31 4.020 -4.858 -2.272 1.00 0.00 C ATOM 838 O ILE B 31 4.658 -5.457 -1.400 1.00 0.00 O ATOM 839 CB ILE B 31 1.612 -4.552 -1.544 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.725 -3.030 -1.616 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.883 -5.041 -0.128 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.524 -2.312 -1.039 1.00 0.00 C ATOM 0 H ILE B 31 2.684 -7.077 -1.600 1.00 0.00 H new ATOM 0 HA ILE B 31 2.281 -4.874 -3.546 1.00 0.00 H new ATOM 0 HB ILE B 31 0.593 -4.830 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.620 -2.713 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.853 -2.731 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.199 -4.550 0.564 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.734 -6.120 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.911 -4.804 0.148 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.670 -1.235 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.371 -2.601 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.408 -2.583 0.010 1.00 0.00 H new ATOM 854 N ALA B 32 4.557 -3.908 -3.021 1.00 0.00 N ATOM 855 CA ALA B 32 5.942 -3.507 -2.841 1.00 0.00 C ATOM 856 C ALA B 32 6.102 -1.994 -2.868 1.00 0.00 C ATOM 857 O ALA B 32 5.299 -1.284 -3.467 1.00 0.00 O ATOM 858 CB ALA B 32 6.809 -4.145 -3.914 1.00 0.00 C ATOM 0 H ALA B 32 4.059 -3.404 -3.754 1.00 0.00 H new ATOM 0 HA ALA B 32 6.264 -3.853 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.846 -3.840 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.737 -5.230 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.467 -3.823 -4.897 1.00 0.00 H new ATOM 864 N TRP B 33 7.144 -1.508 -2.212 1.00 0.00 N ATOM 865 CA TRP B 33 7.426 -0.084 -2.171 1.00 0.00 C ATOM 866 C TRP B 33 8.931 0.153 -2.267 1.00 0.00 C ATOM 867 O TRP B 33 9.728 -0.642 -1.761 1.00 0.00 O ATOM 868 CB TRP B 33 6.854 0.557 -0.899 1.00 0.00 C ATOM 869 CG TRP B 33 6.990 2.046 -0.885 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.094 2.963 -1.351 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.099 2.791 -0.385 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.594 4.228 -1.194 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.820 4.148 -0.600 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.305 2.440 0.219 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.699 5.154 -0.239 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.179 3.439 0.580 1.00 0.00 C ATOM 877 CH2 TRP B 33 9.875 4.785 0.349 1.00 0.00 C ATOM 0 H TRP B 33 7.811 -2.084 -1.698 1.00 0.00 H new ATOM 0 HA TRP B 33 6.941 0.388 -3.025 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.800 0.293 -0.807 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.363 0.143 -0.029 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.132 2.726 -1.781 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.126 5.090 -1.475 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.549 1.404 0.400 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.464 6.193 -0.416 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.116 3.180 1.050 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.583 5.546 0.641 1.00 0.00 H new ATOM 888 N ALA B 34 9.308 1.242 -2.924 1.00 0.00 N ATOM 889 CA ALA B 34 10.704 1.599 -3.106 1.00 0.00 C ATOM 890 C ALA B 34 10.867 3.113 -3.086 1.00 0.00 C ATOM 891 O ALA B 34 10.086 3.828 -3.720 1.00 0.00 O ATOM 892 CB ALA B 34 11.248 1.020 -4.409 1.00 0.00 C ATOM 0 H ALA B 34 8.653 1.901 -3.345 1.00 0.00 H new ATOM 0 HA ALA B 34 11.277 1.174 -2.282 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.295 1.301 -4.523 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.164 -0.067 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.674 1.411 -5.249 1.00 0.00 H new ATOM 898 N PRO B 35 11.861 3.624 -2.341 1.00 0.00 N ATOM 899 CA PRO B 35 12.133 5.066 -2.252 1.00 0.00 C ATOM 900 C PRO B 35 12.510 5.627 -3.617 1.00 0.00 C ATOM 901 O PRO B 35 12.797 4.856 -4.534 1.00 0.00 O ATOM 902 CB PRO B 35 13.309 5.160 -1.280 1.00 0.00 C ATOM 903 CG PRO B 35 13.946 3.813 -1.318 1.00 0.00 C ATOM 904 CD PRO B 35 12.826 2.839 -1.551 1.00 0.00 C ATOM 0 HA PRO B 35 11.268 5.639 -1.918 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.010 5.938 -1.582 1.00 0.00 H new ATOM 0 HB3 PRO B 35 12.971 5.409 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.688 3.753 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.463 3.598 -0.383 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.166 1.956 -2.092 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.392 2.492 -0.613 1.00 0.00 H new ATOM 992 N PHE B 41 13.381 -2.780 -4.166 1.00 0.00 N ATOM 993 CA PHE B 41 12.194 -2.627 -3.340 1.00 0.00 C ATOM 994 C PHE B 41 12.530 -2.922 -1.884 1.00 0.00 C ATOM 995 O PHE B 41 12.985 -4.015 -1.552 1.00 0.00 O ATOM 996 CB PHE B 41 11.082 -3.566 -3.818 1.00 0.00 C ATOM 997 CG PHE B 41 10.625 -3.298 -5.224 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.711 -2.291 -5.489 1.00 0.00 C ATOM 999 CD2 PHE B 41 11.108 -4.055 -6.280 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.288 -2.044 -6.780 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.689 -3.812 -7.573 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.777 -2.805 -7.824 1.00 0.00 C ATOM 0 HA PHE B 41 11.843 -1.599 -3.426 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.434 -4.595 -3.750 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.229 -3.476 -3.145 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.325 -1.693 -4.677 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.820 -4.844 -6.089 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.575 -1.256 -6.973 1.00 0.00 H new ATOM 0 HE2 PHE B 41 11.074 -4.408 -8.387 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.447 -2.613 -8.834 1.00 0.00 H new ATOM 1012 N THR B 42 12.309 -1.943 -1.027 1.00 0.00 N ATOM 1013 CA THR B 42 12.595 -2.087 0.391 1.00 0.00 C ATOM 1014 C THR B 42 11.414 -2.711 1.113 1.00 0.00 C ATOM 1015 O THR B 42 11.535 -3.208 2.231 1.00 0.00 O ATOM 1016 CB THR B 42 12.898 -0.717 1.018 1.00 0.00 C ATOM 1017 OG1 THR B 42 11.823 0.193 0.746 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.187 -0.149 0.461 1.00 0.00 C ATOM 0 H THR B 42 11.930 -1.033 -1.289 1.00 0.00 H new ATOM 0 HA THR B 42 13.465 -2.736 0.494 1.00 0.00 H new ATOM 0 HB THR B 42 13.005 -0.849 2.095 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.022 1.064 1.149 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.384 0.821 0.917 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.010 -0.828 0.683 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.096 -0.030 -0.619 1.00 0.00 H new ATOM 1026 N ILE B 43 10.271 -2.666 0.458 1.00 0.00 N ATOM 1027 CA ILE B 43 9.044 -3.192 1.016 1.00 0.00 C ATOM 1028 C ILE B 43 8.449 -4.250 0.096 1.00 0.00 C ATOM 1029 O ILE B 43 8.245 -3.998 -1.088 1.00 0.00 O ATOM 1030 CB ILE B 43 8.030 -2.049 1.212 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.482 -1.100 2.327 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.633 -2.587 1.494 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.538 -1.743 3.695 1.00 0.00 C ATOM 0 H ILE B 43 10.168 -2.264 -0.474 1.00 0.00 H new ATOM 0 HA ILE B 43 9.268 -3.651 1.979 1.00 0.00 H new ATOM 0 HB ILE B 43 7.987 -1.485 0.280 1.00 0.00 H new ATOM 0 HG12 ILE B 43 9.469 -0.709 2.080 1.00 0.00 H new ATOM 0 HG13 ILE B 43 7.802 -0.249 2.364 1.00 0.00 H new ATOM 0 HG21 ILE B 43 5.942 -1.754 1.627 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.304 -3.201 0.656 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.652 -3.191 2.401 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.866 -1.008 4.430 1.00 0.00 H new ATOM 0 HD12 ILE B 43 7.548 -2.109 3.966 1.00 0.00 H new ATOM 0 HD13 ILE B 43 9.241 -2.576 3.677 1.00 0.00 H new ATOM 1045 N SER B 44 8.211 -5.433 0.640 1.00 0.00 N ATOM 1046 CA SER B 44 7.622 -6.529 -0.113 1.00 0.00 C ATOM 1047 C SER B 44 6.770 -7.377 0.826 1.00 0.00 C ATOM 1048 O SER B 44 7.299 -8.018 1.734 1.00 0.00 O ATOM 1049 CB SER B 44 8.718 -7.378 -0.765 1.00 0.00 C ATOM 1050 OG SER B 44 8.167 -8.375 -1.613 1.00 0.00 O ATOM 0 H SER B 44 8.420 -5.660 1.612 1.00 0.00 H new ATOM 0 HA SER B 44 6.992 -6.129 -0.907 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.383 -6.735 -1.342 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.323 -7.850 0.009 1.00 0.00 H new ATOM 0 HG SER B 44 8.891 -8.899 -2.015 1.00 0.00 H new ATOM 1056 N HIS B 45 5.458 -7.380 0.617 1.00 0.00 N ATOM 1057 CA HIS B 45 4.558 -8.136 1.469 1.00 0.00 C ATOM 1058 C HIS B 45 3.502 -8.799 0.619 1.00 0.00 C ATOM 1059 O HIS B 45 2.807 -8.133 -0.149 1.00 0.00 O ATOM 1060 CB HIS B 45 3.883 -7.229 2.513 1.00 0.00 C ATOM 1061 CG HIS B 45 4.836 -6.465 3.389 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.695 -7.052 4.290 1.00 0.00 N ATOM 1063 CD2 HIS B 45 5.057 -5.127 3.479 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.397 -6.078 4.887 1.00 0.00 C ATOM 1065 NE2 HIS B 45 6.048 -4.892 4.427 1.00 0.00 N ATOM 0 H HIS B 45 4.998 -6.867 -0.135 1.00 0.00 H new ATOM 0 HA HIS B 45 5.140 -8.890 1.999 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.238 -6.519 1.995 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.240 -7.841 3.146 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.545 -4.368 2.906 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.149 -6.243 5.645 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.427 -3.988 4.709 1.00 0.00 H new ATOM 1073 N MET B 46 3.399 -10.107 0.724 1.00 0.00 N ATOM 1074 CA MET B 46 2.404 -10.827 -0.033 1.00 0.00 C ATOM 1075 C MET B 46 1.048 -10.610 0.604 1.00 0.00 C ATOM 1076 O MET B 46 0.945 -10.474 1.820 1.00 0.00 O ATOM 1077 CB MET B 46 2.728 -12.320 -0.086 1.00 0.00 C ATOM 1078 CG MET B 46 3.590 -12.723 -1.271 1.00 0.00 C ATOM 1079 SD MET B 46 3.650 -14.510 -1.506 1.00 0.00 S ATOM 1080 CE MET B 46 4.579 -14.617 -3.034 1.00 0.00 C ATOM 0 H MET B 46 3.988 -10.687 1.322 1.00 0.00 H new ATOM 0 HA MET B 46 2.397 -10.451 -1.056 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.238 -12.604 0.835 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.795 -12.883 -0.120 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.201 -12.254 -2.175 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.602 -12.345 -1.125 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.963 -15.084 -3.803 1.00 0.00 H new ATOM 0 HE2 MET B 46 4.865 -13.616 -3.357 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.475 -15.217 -2.874 1.00 0.00 H new ATOM 1090 N TYR B 47 0.018 -10.538 -0.217 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.349 -10.354 0.278 1.00 0.00 C ATOM 1092 C TYR B 47 -1.751 -11.474 1.240 1.00 0.00 C ATOM 1093 O TYR B 47 -2.748 -11.368 1.948 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.339 -10.294 -0.883 1.00 0.00 C ATOM 1095 CG TYR B 47 -2.053 -9.187 -1.864 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.622 -7.941 -1.432 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -2.212 -9.389 -3.225 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.354 -6.931 -2.329 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.947 -8.383 -4.127 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.519 -7.156 -3.676 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.250 -6.153 -4.576 1.00 0.00 O ATOM 0 H TYR B 47 0.093 -10.603 -1.232 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.374 -9.409 0.820 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.326 -11.248 -1.410 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.345 -10.164 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.495 -7.760 -0.375 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.549 -10.350 -3.584 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.016 -5.968 -1.977 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.075 -8.557 -5.185 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.746 -6.519 -5.332 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.962 -12.541 1.259 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.220 -13.673 2.134 1.00 0.00 C ATOM 1113 C ALA B 48 -0.542 -13.476 3.481 1.00 0.00 C ATOM 1114 O ALA B 48 -0.748 -14.257 4.406 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.737 -14.962 1.491 1.00 0.00 C ATOM 0 H ALA B 48 -0.133 -12.644 0.673 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.296 -13.741 2.293 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.938 -15.799 2.159 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.261 -15.117 0.548 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.335 -14.896 1.304 1.00 0.00 H new ATOM 1121 N ASP B 49 0.279 -12.440 3.573 1.00 0.00 N ATOM 1122 CA ASP B 49 0.990 -12.124 4.806 1.00 0.00 C ATOM 1123 C ASP B 49 0.332 -10.931 5.474 1.00 0.00 C ATOM 1124 O ASP B 49 0.768 -10.465 6.530 1.00 0.00 O ATOM 1125 CB ASP B 49 2.463 -11.812 4.528 1.00 0.00 C ATOM 1126 CG ASP B 49 3.165 -12.922 3.777 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.992 -14.104 4.160 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.885 -12.613 2.803 1.00 0.00 O ATOM 0 H ASP B 49 0.471 -11.799 2.803 1.00 0.00 H new ATOM 0 HA ASP B 49 0.944 -12.991 5.465 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.532 -10.889 3.952 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.977 -11.637 5.473 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.726 -10.446 4.849 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.470 -9.314 5.358 1.00 0.00 C ATOM 1135 C ILE B 50 -2.737 -9.788 6.059 1.00 0.00 C ATOM 1136 O ILE B 50 -3.501 -10.584 5.516 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.839 -8.346 4.224 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.594 -7.986 3.409 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.498 -7.093 4.781 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.887 -7.150 2.184 1.00 0.00 C ATOM 0 H ILE B 50 -1.091 -10.827 3.976 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.837 -8.788 6.073 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.553 -8.840 3.565 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.103 -7.445 4.048 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.096 -8.905 3.100 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.752 -6.420 3.962 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.405 -7.368 5.319 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.810 -6.592 5.462 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.044 -6.935 1.659 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -1.559 -7.697 1.523 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.357 -6.214 2.486 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.949 -9.289 7.263 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.106 -9.654 8.060 1.00 0.00 C ATOM 1154 C LYS B 51 -5.281 -8.726 7.762 1.00 0.00 C ATOM 1155 O LYS B 51 -6.389 -9.185 7.512 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.746 -9.585 9.548 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.884 -9.949 10.486 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.699 -9.321 11.856 1.00 0.00 C ATOM 1159 CE LYS B 51 -5.756 -9.806 12.843 1.00 0.00 C ATOM 1160 NZ LYS B 51 -7.144 -9.610 12.333 1.00 0.00 N ATOM 0 H LYS B 51 -2.325 -8.621 7.715 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.401 -10.672 7.805 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.907 -10.254 9.738 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.408 -8.575 9.781 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.830 -9.618 10.058 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.942 -11.033 10.586 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.707 -9.563 12.237 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.752 -8.236 11.770 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.595 -10.863 13.053 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.640 -9.273 13.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -7.823 -9.778 13.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -7.251 -8.637 11.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -7.327 -10.279 11.558 1.00 0.00 H new ATOM 1174 N CYS B 52 -5.026 -7.425 7.780 1.00 0.00 N ATOM 1175 CA CYS B 52 -6.076 -6.434 7.536 1.00 0.00 C ATOM 1176 C CYS B 52 -5.505 -5.175 6.885 1.00 0.00 C ATOM 1177 O CYS B 52 -4.289 -5.014 6.814 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.761 -6.072 8.858 1.00 0.00 C ATOM 1179 SG CYS B 52 -5.792 -6.443 10.339 1.00 0.00 S ATOM 0 H CYS B 52 -4.104 -7.027 7.960 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.805 -6.868 6.852 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.994 -5.007 8.851 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.709 -6.606 8.918 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.415 -5.333 10.901 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.373 -4.271 6.419 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.912 -3.043 5.791 1.00 0.00 C ATOM 1187 C GLN B 53 -6.739 -1.863 6.259 1.00 0.00 C ATOM 1188 O GLN B 53 -7.961 -1.954 6.373 1.00 0.00 O ATOM 1189 CB GLN B 53 -5.974 -3.136 4.262 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.372 -3.351 3.700 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.467 -2.974 2.234 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.493 -3.072 1.492 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.638 -2.536 1.806 1.00 0.00 N ATOM 0 H GLN B 53 -7.387 -4.371 6.467 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.873 -2.898 6.086 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.562 -2.220 3.838 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.334 -3.955 3.934 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.654 -4.397 3.823 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.086 -2.759 4.272 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.424 -2.468 2.452 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.755 -2.266 0.830 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.069 -0.768 6.558 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.753 0.434 6.970 1.00 0.00 C ATOM 1204 C LYS B 54 -6.469 1.525 5.970 1.00 0.00 C ATOM 1205 O LYS B 54 -5.506 1.440 5.206 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.288 0.977 8.313 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.766 0.000 9.338 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.571 0.764 10.638 1.00 0.00 C ATOM 1209 CE LYS B 54 -6.008 -0.007 11.864 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.587 0.891 12.898 1.00 0.00 N ATOM 0 H LYS B 54 -5.053 -0.689 6.522 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.807 0.164 7.042 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.503 1.709 8.122 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.123 1.515 8.761 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.469 -0.822 9.478 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.825 -0.438 9.006 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.518 1.027 10.741 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.130 1.698 10.588 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.745 -0.757 11.579 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.155 -0.541 12.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -7.072 0.321 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.826 1.442 13.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -7.268 1.539 12.453 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.278 2.567 5.996 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.057 3.702 5.100 1.00 0.00 C ATOM 1226 C ILE B 55 -7.256 5.046 5.824 1.00 0.00 C ATOM 1227 O ILE B 55 -8.302 5.292 6.425 1.00 0.00 O ATOM 1228 CB ILE B 55 -7.947 3.630 3.837 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.410 3.884 4.164 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -7.803 2.275 3.160 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.291 3.801 2.949 1.00 0.00 C ATOM 0 H ILE B 55 -8.084 2.658 6.615 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.018 3.641 4.777 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.609 4.413 3.158 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.746 3.157 4.903 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.512 4.870 4.617 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.436 2.242 2.273 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -6.764 2.122 2.870 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.106 1.489 3.851 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.325 3.990 3.236 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -9.975 4.546 2.219 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.212 2.807 2.510 1.00 0.00 H new ATOM 1243 N SER B 56 -6.212 5.883 5.837 1.00 0.00 N ATOM 1244 CA SER B 56 -6.298 7.195 6.475 1.00 0.00 C ATOM 1245 C SER B 56 -6.865 8.238 5.523 1.00 0.00 C ATOM 1246 O SER B 56 -6.343 8.433 4.416 1.00 0.00 O ATOM 1247 CB SER B 56 -4.943 7.656 6.989 1.00 0.00 C ATOM 1248 OG SER B 56 -4.737 7.239 8.325 1.00 0.00 O ATOM 0 H SER B 56 -5.307 5.675 5.416 1.00 0.00 H new ATOM 0 HA SER B 56 -6.974 7.089 7.323 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.154 7.255 6.354 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.878 8.742 6.930 1.00 0.00 H new ATOM 0 HG SER B 56 -4.625 6.266 8.350 1.00 0.00 H new ATOM 1254 N PRO B 57 -7.891 8.966 6.005 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.626 9.986 5.235 1.00 0.00 C ATOM 1256 C PRO B 57 -7.800 11.210 4.830 1.00 0.00 C ATOM 1257 O PRO B 57 -6.690 11.430 5.334 1.00 0.00 O ATOM 1258 CB PRO B 57 -9.712 10.446 6.209 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.161 10.143 7.556 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.398 8.866 7.388 1.00 0.00 C ATOM 0 HA PRO B 57 -8.971 9.557 4.294 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -9.921 11.510 6.096 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.649 9.917 6.036 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.513 10.946 7.906 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -9.958 10.032 8.292 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.587 8.782 8.111 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.037 7.993 7.522 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.376 12.013 3.933 1.00 0.00 N ATOM 1269 CA GLU B 58 -7.758 13.250 3.473 1.00 0.00 C ATOM 1270 C GLU B 58 -8.135 14.359 4.449 1.00 0.00 C ATOM 1271 O GLU B 58 -9.135 14.244 5.156 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.231 13.606 2.052 1.00 0.00 C ATOM 1273 CG GLU B 58 -7.174 14.304 1.198 1.00 0.00 C ATOM 1274 CD GLU B 58 -7.332 14.034 -0.293 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -8.367 14.426 -0.871 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -6.419 13.430 -0.902 1.00 0.00 O ATOM 0 H GLU B 58 -9.283 11.821 3.508 1.00 0.00 H new ATOM 0 HA GLU B 58 -6.675 13.129 3.437 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.546 12.693 1.546 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.108 14.250 2.123 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.226 15.379 1.373 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.184 13.977 1.517 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.336 15.407 4.511 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.626 16.495 5.427 1.00 0.00 C ATOM 1285 C GLY B 59 -6.483 16.734 6.383 1.00 0.00 C ATOM 1286 O GLY B 59 -6.276 17.850 6.854 1.00 0.00 O ATOM 0 H GLY B 59 -6.494 15.529 3.948 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -7.824 17.405 4.861 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.531 16.266 5.990 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.742 15.674 6.679 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.593 15.775 7.565 1.00 0.00 C ATOM 1292 C LYS B 60 -3.419 16.346 6.792 1.00 0.00 C ATOM 1293 O LYS B 60 -3.542 16.660 5.609 1.00 0.00 O ATOM 1294 CB LYS B 60 -4.190 14.400 8.116 1.00 0.00 C ATOM 1295 CG LYS B 60 -5.265 13.693 8.924 1.00 0.00 C ATOM 1296 CD LYS B 60 -4.681 12.555 9.763 1.00 0.00 C ATOM 1297 CE LYS B 60 -4.033 11.459 8.914 1.00 0.00 C ATOM 1298 NZ LYS B 60 -4.631 11.347 7.549 1.00 0.00 N ATOM 0 H LYS B 60 -5.917 14.736 6.318 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.864 16.422 8.400 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.904 13.760 7.281 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.306 14.521 8.742 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.761 14.411 9.578 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.025 13.297 8.251 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.939 12.961 10.450 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -5.472 12.116 10.371 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.966 11.662 8.822 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -4.132 10.503 9.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.164 10.578 7.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -5.647 11.142 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -4.499 12.243 7.037 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.273 16.445 7.446 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.071 16.935 6.792 1.00 0.00 C ATOM 1314 C ALA B 61 -0.480 15.828 5.924 1.00 0.00 C ATOM 1315 O ALA B 61 0.607 15.963 5.368 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.059 17.411 7.824 1.00 0.00 C ATOM 0 H ALA B 61 -2.150 16.193 8.427 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.326 17.784 6.158 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.835 17.774 7.317 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.494 18.217 8.415 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.208 16.583 8.481 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.225 14.726 5.832 1.00 0.00 N ATOM 1323 CA LYS B 62 -0.826 13.566 5.056 1.00 0.00 C ATOM 1324 C LYS B 62 -1.991 12.587 4.918 1.00 0.00 C ATOM 1325 O LYS B 62 -2.921 12.590 5.734 1.00 0.00 O ATOM 1326 CB LYS B 62 0.370 12.870 5.711 1.00 0.00 C ATOM 1327 CG LYS B 62 0.226 12.637 7.208 1.00 0.00 C ATOM 1328 CD LYS B 62 1.571 12.309 7.840 1.00 0.00 C ATOM 1329 CE LYS B 62 1.440 12.007 9.322 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.751 11.680 9.942 1.00 0.00 N ATOM 0 H LYS B 62 -2.126 14.619 6.299 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.534 13.904 4.062 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.528 11.909 5.221 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.264 13.469 5.534 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -0.194 13.525 7.679 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.473 11.820 7.387 1.00 0.00 H new ATOM 0 HD2 LYS B 62 2.012 11.451 7.332 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.253 13.148 7.699 1.00 0.00 H new ATOM 0 HE2 LYS B 62 1.003 12.867 9.830 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.754 11.172 9.462 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 2.616 11.480 10.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 3.157 10.844 9.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 3.398 12.487 9.831 1.00 0.00 H new ATOM 1344 N ILE B 63 -1.939 11.777 3.870 1.00 0.00 N ATOM 1345 CA ILE B 63 -2.952 10.763 3.593 1.00 0.00 C ATOM 1346 C ILE B 63 -2.263 9.409 3.643 1.00 0.00 C ATOM 1347 O ILE B 63 -1.106 9.317 3.253 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.600 10.981 2.206 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.443 12.259 2.203 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.450 9.784 1.807 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.648 13.526 1.953 1.00 0.00 C ATOM 0 H ILE B 63 -1.187 11.804 3.181 1.00 0.00 H new ATOM 0 HA ILE B 63 -3.751 10.824 4.332 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.800 11.089 1.473 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.215 12.170 1.438 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.953 12.347 3.162 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -4.894 9.963 0.828 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -3.825 8.892 1.764 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.241 9.638 2.543 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.319 14.385 1.967 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.894 13.642 2.731 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.159 13.463 0.981 1.00 0.00 H new ATOM 1363 N GLN B 64 -2.920 8.355 4.125 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.215 7.076 4.222 1.00 0.00 C ATOM 1365 C GLN B 64 -3.079 5.842 3.950 1.00 0.00 C ATOM 1366 O GLN B 64 -4.305 5.890 3.976 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.593 6.915 5.616 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.939 8.162 6.190 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.883 8.933 7.087 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -2.560 9.861 6.660 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -1.960 8.529 8.338 1.00 0.00 N ATOM 0 H GLN B 64 -3.890 8.354 4.440 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.459 7.120 3.438 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.370 6.584 6.305 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -0.846 6.122 5.572 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -0.051 7.879 6.755 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.606 8.805 5.375 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -1.382 7.753 8.660 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.598 8.992 8.985 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.379 4.739 3.693 1.00 0.00 N ATOM 1381 CA LEU B 65 -2.957 3.416 3.460 1.00 0.00 C ATOM 1382 C LEU B 65 -2.075 2.410 4.201 1.00 0.00 C ATOM 1383 O LEU B 65 -0.896 2.314 3.896 1.00 0.00 O ATOM 1384 CB LEU B 65 -2.944 3.072 1.981 1.00 0.00 C ATOM 1385 CG LEU B 65 -3.933 1.989 1.558 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.246 2.592 1.131 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.332 1.133 0.462 1.00 0.00 C ATOM 0 H LEU B 65 -1.360 4.741 3.639 1.00 0.00 H new ATOM 0 HA LEU B 65 -3.990 3.395 3.808 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.155 3.977 1.412 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.939 2.751 1.708 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.137 1.348 2.416 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -5.932 1.798 0.835 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.676 3.152 1.961 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.081 3.263 0.288 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.046 0.364 0.168 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.096 1.758 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.420 0.661 0.828 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.601 1.654 5.151 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.742 0.743 5.903 1.00 0.00 C ATOM 1401 C GLN B 66 -2.219 -0.694 5.870 1.00 0.00 C ATOM 1402 O GLN B 66 -3.414 -0.976 5.768 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.586 1.199 7.357 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.643 0.655 8.297 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.203 0.667 9.745 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.566 -0.270 10.213 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.559 1.719 10.464 1.00 0.00 N ATOM 0 H GLN B 66 -3.586 1.648 5.417 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.773 0.776 5.404 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.604 0.894 7.718 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.614 2.288 7.389 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.553 1.246 8.194 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.891 -0.366 8.006 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -3.089 2.476 10.032 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -2.303 1.773 11.450 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.257 -1.593 5.966 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.522 -3.014 5.968 1.00 0.00 C ATOM 1418 C LEU B 67 -1.082 -3.623 7.290 1.00 0.00 C ATOM 1419 O LEU B 67 0.085 -3.533 7.667 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.777 -3.690 4.818 1.00 0.00 C ATOM 1421 CG LEU B 67 -0.757 -2.895 3.519 1.00 0.00 C ATOM 1422 CD1 LEU B 67 0.481 -3.238 2.711 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.018 -3.160 2.710 1.00 0.00 C ATOM 0 H LEU B 67 -0.268 -1.355 6.045 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.593 -3.170 5.839 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.251 -3.878 5.129 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.235 -4.661 4.627 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.727 -1.833 3.762 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.482 -2.663 1.785 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.372 -2.996 3.290 1.00 0.00 H new ATOM 0 HD13 LEU B 67 0.479 -4.302 2.477 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.985 -2.583 1.786 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.082 -4.222 2.473 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.892 -2.865 3.291 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.026 -4.210 7.994 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.751 -4.862 9.262 1.00 0.00 C ATOM 1437 C VAL B 68 -1.491 -6.328 8.986 1.00 0.00 C ATOM 1438 O VAL B 68 -2.378 -7.029 8.518 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.931 -4.731 10.247 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.553 -5.271 11.620 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.399 -3.285 10.344 1.00 0.00 C ATOM 0 H VAL B 68 -3.004 -4.250 7.707 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.887 -4.383 9.722 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.758 -5.329 9.864 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.401 -5.168 12.297 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.282 -6.323 11.535 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.705 -4.709 12.011 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.232 -3.218 11.044 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.578 -2.660 10.695 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.723 -2.941 9.362 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.285 -6.788 9.247 1.00 0.00 N ATOM 1452 CA LEU B 69 0.058 -8.173 8.973 1.00 0.00 C ATOM 1453 C LEU B 69 -0.306 -9.078 10.144 1.00 0.00 C ATOM 1454 O LEU B 69 -0.484 -8.607 11.267 1.00 0.00 O ATOM 1455 CB LEU B 69 1.541 -8.304 8.645 1.00 0.00 C ATOM 1456 CG LEU B 69 2.155 -7.115 7.903 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.636 -7.346 7.657 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.436 -6.857 6.586 1.00 0.00 C ATOM 0 H LEU B 69 0.471 -6.230 9.645 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.523 -8.492 8.108 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.090 -8.453 9.575 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.685 -9.201 8.042 1.00 0.00 H new ATOM 0 HG LEU B 69 2.037 -6.233 8.532 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.055 -6.490 7.128 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.148 -7.470 8.611 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.769 -8.245 7.055 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.895 -6.006 6.082 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.512 -7.740 5.951 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.386 -6.640 6.781 1.00 0.00 H new ATOM 1470 N HIS B 70 -0.418 -10.381 9.874 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.764 -11.359 10.920 1.00 0.00 C ATOM 1472 C HIS B 70 0.289 -11.373 12.026 1.00 0.00 C ATOM 1473 O HIS B 70 0.007 -11.766 13.154 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.888 -12.792 10.368 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.488 -12.913 9.000 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -0.934 -12.670 7.792 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -2.764 -13.370 8.743 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -1.850 -12.972 6.796 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.930 -13.390 7.412 1.00 0.00 N flip ATOM 0 H HIS B 70 -0.276 -10.786 8.948 1.00 0.00 H new ATOM 0 HA HIS B 70 -1.730 -11.044 11.314 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.105 -13.242 10.350 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -1.491 -13.378 11.062 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -3.498 -13.660 9.481 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.704 -12.881 5.730 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -3.783 -13.691 6.941 1.00 0.00 H new ATOM 1487 N ALA B 71 1.500 -10.940 11.692 1.00 0.00 N ATOM 1488 CA ALA B 71 2.602 -10.923 12.649 1.00 0.00 C ATOM 1489 C ALA B 71 2.509 -9.736 13.604 1.00 0.00 C ATOM 1490 O ALA B 71 3.316 -9.608 14.523 1.00 0.00 O ATOM 1491 CB ALA B 71 3.934 -10.902 11.913 1.00 0.00 C ATOM 0 H ALA B 71 1.744 -10.595 10.764 1.00 0.00 H new ATOM 0 HA ALA B 71 2.533 -11.832 13.247 1.00 0.00 H new ATOM 0 HB1 ALA B 71 4.749 -10.889 12.636 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.018 -11.790 11.287 1.00 0.00 H new ATOM 0 HB3 ALA B 71 3.990 -10.011 11.288 1.00 0.00 H new ATOM 1497 N GLY B 72 1.534 -8.864 13.380 1.00 0.00 N ATOM 1498 CA GLY B 72 1.368 -7.705 14.238 1.00 0.00 C ATOM 1499 C GLY B 72 2.029 -6.471 13.664 1.00 0.00 C ATOM 1500 O GLY B 72 1.789 -5.358 14.128 1.00 0.00 O ATOM 0 H GLY B 72 0.856 -8.938 12.621 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.305 -7.512 14.383 1.00 0.00 H new ATOM 0 HA3 GLY B 72 1.790 -7.918 15.220 1.00 0.00 H new ATOM 1504 N ASP B 73 2.866 -6.675 12.654 1.00 0.00 N ATOM 1505 CA ASP B 73 3.567 -5.572 12.000 1.00 0.00 C ATOM 1506 C ASP B 73 2.593 -4.775 11.142 1.00 0.00 C ATOM 1507 O ASP B 73 1.613 -5.327 10.631 1.00 0.00 O ATOM 1508 CB ASP B 73 4.719 -6.102 11.146 1.00 0.00 C ATOM 1509 CG ASP B 73 5.466 -4.993 10.431 1.00 0.00 C ATOM 1510 OD1 ASP B 73 5.872 -4.024 11.104 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.641 -5.092 9.200 1.00 0.00 O ATOM 0 H ASP B 73 3.077 -7.595 12.268 1.00 0.00 H new ATOM 0 HA ASP B 73 3.982 -4.916 12.765 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.413 -6.654 11.779 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.329 -6.806 10.411 1.00 0.00 H new ATOM 1516 N THR B 74 2.856 -3.487 10.981 1.00 0.00 N ATOM 1517 CA THR B 74 1.978 -2.627 10.206 1.00 0.00 C ATOM 1518 C THR B 74 2.767 -1.721 9.267 1.00 0.00 C ATOM 1519 O THR B 74 3.733 -1.075 9.677 1.00 0.00 O ATOM 1520 CB THR B 74 1.128 -1.742 11.141 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.981 -1.072 12.081 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.093 -2.565 11.895 1.00 0.00 C ATOM 0 H THR B 74 3.670 -3.016 11.377 1.00 0.00 H new ATOM 0 HA THR B 74 1.333 -3.277 9.615 1.00 0.00 H new ATOM 0 HB THR B 74 0.603 -1.011 10.527 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.829 -0.843 11.647 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.489 -1.911 12.545 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.572 -3.054 11.183 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.597 -3.320 12.498 1.00 0.00 H new ATOM 1530 N THR B 75 2.343 -1.664 8.014 1.00 0.00 N ATOM 1531 CA THR B 75 2.994 -0.823 7.025 1.00 0.00 C ATOM 1532 C THR B 75 2.053 0.300 6.589 1.00 0.00 C ATOM 1533 O THR B 75 1.159 0.079 5.771 1.00 0.00 O ATOM 1534 CB THR B 75 3.402 -1.650 5.791 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.464 -3.041 6.136 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.752 -1.194 5.253 1.00 0.00 C ATOM 0 H THR B 75 1.547 -2.193 7.658 1.00 0.00 H new ATOM 0 HA THR B 75 3.888 -0.396 7.479 1.00 0.00 H new ATOM 0 HB THR B 75 2.652 -1.499 5.014 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.722 -3.562 5.347 1.00 0.00 H new ATOM 0 HG21 THR B 75 5.018 -1.793 4.382 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.694 -0.144 4.967 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.512 -1.318 6.024 1.00 0.00 H new ATOM 1544 N ASN B 76 2.233 1.497 7.145 1.00 0.00 N ATOM 1545 CA ASN B 76 1.379 2.629 6.797 1.00 0.00 C ATOM 1546 C ASN B 76 2.014 3.433 5.664 1.00 0.00 C ATOM 1547 O ASN B 76 3.064 4.048 5.834 1.00 0.00 O ATOM 1548 CB ASN B 76 1.074 3.556 8.009 1.00 0.00 C ATOM 1549 CG ASN B 76 1.014 2.853 9.370 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.778 1.936 9.656 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.104 3.301 10.233 1.00 0.00 N ATOM 0 H ASN B 76 2.957 1.706 7.833 1.00 0.00 H new ATOM 0 HA ASN B 76 0.424 2.217 6.470 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.837 4.333 8.053 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.121 4.055 7.833 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.029 2.880 11.159 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.518 4.065 9.968 1.00 0.00 H new ATOM 1558 N PHE B 77 1.367 3.406 4.507 1.00 0.00 N ATOM 1559 CA PHE B 77 1.843 4.115 3.322 1.00 0.00 C ATOM 1560 C PHE B 77 1.320 5.540 3.310 1.00 0.00 C ATOM 1561 O PHE B 77 0.117 5.765 3.258 1.00 0.00 O ATOM 1562 CB PHE B 77 1.415 3.384 2.050 1.00 0.00 C ATOM 1563 CG PHE B 77 2.294 2.215 1.723 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.664 2.378 1.629 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.753 0.957 1.514 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.482 1.309 1.332 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.568 -0.117 1.214 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.934 0.059 1.123 1.00 0.00 C ATOM 0 H PHE B 77 0.498 2.893 4.361 1.00 0.00 H new ATOM 0 HA PHE B 77 2.932 4.144 3.355 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.388 3.038 2.164 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.425 4.084 1.214 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.098 3.354 1.790 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.685 0.815 1.586 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.551 1.449 1.263 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.137 -1.094 1.051 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.573 -0.780 0.889 1.00 0.00 H new ATOM 1578 N HIS B 78 2.235 6.488 3.335 1.00 0.00 N ATOM 1579 CA HIS B 78 1.900 7.904 3.370 1.00 0.00 C ATOM 1580 C HIS B 78 1.851 8.507 1.958 1.00 0.00 C ATOM 1581 O HIS B 78 2.881 8.784 1.352 1.00 0.00 O ATOM 1582 CB HIS B 78 2.949 8.606 4.264 1.00 0.00 C ATOM 1583 CG HIS B 78 2.960 10.113 4.262 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.781 10.856 5.083 1.00 0.00 N ATOM 1585 CD2 HIS B 78 2.295 11.013 3.491 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.606 12.148 4.784 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.716 12.297 3.823 1.00 0.00 N ATOM 0 H HIS B 78 3.238 6.301 3.332 1.00 0.00 H new ATOM 0 HA HIS B 78 0.903 8.048 3.786 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.796 8.271 5.290 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.937 8.261 3.960 1.00 0.00 H new ATOM 0 HD2 HIS B 78 1.557 10.770 2.740 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.126 12.962 5.267 1.00 0.00 H new ATOM 0 HE2 HIS B 78 2.401 13.174 3.408 1.00 0.00 H new ATOM 1595 N PHE B 79 0.646 8.701 1.433 1.00 0.00 N ATOM 1596 CA PHE B 79 0.471 9.315 0.121 1.00 0.00 C ATOM 1597 C PHE B 79 0.646 10.820 0.287 1.00 0.00 C ATOM 1598 O PHE B 79 -0.147 11.464 0.973 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.922 9.035 -0.466 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.169 7.617 -0.903 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.143 6.569 0.006 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.467 7.343 -2.225 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.413 5.275 -0.403 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.729 6.054 -2.638 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.707 5.019 -1.729 1.00 0.00 C ATOM 0 H PHE B 79 -0.225 8.442 1.896 1.00 0.00 H new ATOM 0 HA PHE B 79 1.206 8.894 -0.565 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.671 9.303 0.279 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.075 9.692 -1.322 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -0.910 6.765 1.042 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.495 8.149 -2.943 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.394 4.466 0.313 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.952 5.855 -3.676 1.00 0.00 H new ATOM 0 HZ PHE B 79 -1.919 4.010 -2.052 1.00 0.00 H new ATOM 1615 N SER B 80 1.671 11.385 -0.327 1.00 0.00 N ATOM 1616 CA SER B 80 1.926 12.809 -0.172 1.00 0.00 C ATOM 1617 C SER B 80 1.620 13.611 -1.432 1.00 0.00 C ATOM 1618 O SER B 80 2.114 14.724 -1.589 1.00 0.00 O ATOM 1619 CB SER B 80 3.379 13.036 0.254 1.00 0.00 C ATOM 1620 OG SER B 80 4.289 12.461 -0.672 1.00 0.00 O ATOM 0 H SER B 80 2.331 10.891 -0.928 1.00 0.00 H new ATOM 0 HA SER B 80 1.248 13.169 0.602 1.00 0.00 H new ATOM 0 HB2 SER B 80 3.572 14.106 0.338 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.541 12.604 1.241 1.00 0.00 H new ATOM 0 HG SER B 80 4.086 11.509 -0.782 1.00 0.00 H new ATOM 1626 N ASN B 81 0.805 13.074 -2.333 1.00 0.00 N ATOM 1627 CA ASN B 81 0.482 13.811 -3.542 1.00 0.00 C ATOM 1628 C ASN B 81 -0.795 14.599 -3.316 1.00 0.00 C ATOM 1629 O ASN B 81 -1.883 14.046 -3.345 1.00 0.00 O ATOM 1630 CB ASN B 81 0.338 12.885 -4.751 1.00 0.00 C ATOM 1631 CG ASN B 81 0.736 13.582 -6.039 1.00 0.00 C ATOM 1632 OD1 ASN B 81 1.660 14.397 -6.055 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.055 13.268 -7.126 1.00 0.00 N ATOM 0 H ASN B 81 0.368 12.156 -2.252 1.00 0.00 H new ATOM 0 HA ASN B 81 1.303 14.494 -3.762 1.00 0.00 H new ATOM 0 HB2 ASN B 81 0.959 12.000 -4.608 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.694 12.542 -4.826 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.288 13.705 -8.018 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -0.704 12.588 -7.074 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.643 15.891 -3.091 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.761 16.797 -2.815 1.00 0.00 C ATOM 1642 C GLU B 82 -2.910 16.616 -3.807 1.00 0.00 C ATOM 1643 O GLU B 82 -4.085 16.708 -3.444 1.00 0.00 O ATOM 1644 CB GLU B 82 -1.291 18.261 -2.858 1.00 0.00 C ATOM 1645 CG GLU B 82 0.180 18.470 -2.514 1.00 0.00 C ATOM 1646 CD GLU B 82 1.112 18.111 -3.659 1.00 0.00 C ATOM 1647 OE1 GLU B 82 1.175 18.870 -4.642 1.00 0.00 O ATOM 1648 OE2 GLU B 82 1.763 17.047 -3.582 1.00 0.00 O ATOM 0 H GLU B 82 0.266 16.353 -3.093 1.00 0.00 H new ATOM 0 HA GLU B 82 -2.126 16.549 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.476 18.658 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -1.898 18.843 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.338 19.512 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.434 17.866 -1.643 1.00 0.00 H new ATOM 1655 N SER B 83 -2.566 16.344 -5.051 1.00 0.00 N ATOM 1656 CA SER B 83 -3.554 16.188 -6.098 1.00 0.00 C ATOM 1657 C SER B 83 -4.153 14.778 -6.176 1.00 0.00 C ATOM 1658 O SER B 83 -5.337 14.627 -6.481 1.00 0.00 O ATOM 1659 CB SER B 83 -2.909 16.555 -7.434 1.00 0.00 C ATOM 1660 OG SER B 83 -1.495 16.447 -7.349 1.00 0.00 O ATOM 0 H SER B 83 -1.602 16.226 -5.362 1.00 0.00 H new ATOM 0 HA SER B 83 -4.385 16.853 -5.863 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.284 15.897 -8.218 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.186 17.572 -7.711 1.00 0.00 H new ATOM 0 HG SER B 83 -1.242 15.502 -7.293 1.00 0.00 H new ATOM 1666 N THR B 84 -3.367 13.743 -5.877 1.00 0.00 N ATOM 1667 CA THR B 84 -3.868 12.373 -6.009 1.00 0.00 C ATOM 1668 C THR B 84 -3.615 11.491 -4.783 1.00 0.00 C ATOM 1669 O THR B 84 -3.528 10.278 -4.916 1.00 0.00 O ATOM 1670 CB THR B 84 -3.226 11.684 -7.236 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.844 11.400 -6.976 1.00 0.00 O ATOM 1672 CG2 THR B 84 -3.321 12.565 -8.470 1.00 0.00 C ATOM 0 H THR B 84 -2.404 13.821 -5.550 1.00 0.00 H new ATOM 0 HA THR B 84 -4.947 12.474 -6.123 1.00 0.00 H new ATOM 0 HB THR B 84 -3.770 10.757 -7.418 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.404 11.127 -7.808 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.862 12.055 -9.317 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.369 12.767 -8.693 1.00 0.00 H new ATOM 0 HG23 THR B 84 -2.801 13.505 -8.287 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.539 12.066 -3.595 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.265 11.265 -2.403 1.00 0.00 C ATOM 1682 C ALA B 85 -4.394 10.285 -2.109 1.00 0.00 C ATOM 1683 O ALA B 85 -4.224 9.086 -2.284 1.00 0.00 O ATOM 1684 CB ALA B 85 -3.004 12.161 -1.207 1.00 0.00 C ATOM 0 H ALA B 85 -3.660 13.065 -3.426 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.368 10.678 -2.600 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.802 11.547 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -2.143 12.798 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.879 12.783 -1.021 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.548 10.786 -1.686 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.692 9.914 -1.412 1.00 0.00 C ATOM 1692 C VAL B 86 -7.191 9.271 -2.694 1.00 0.00 C ATOM 1693 O VAL B 86 -7.679 8.144 -2.695 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.838 10.675 -0.699 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.211 10.130 -1.071 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.652 10.584 0.804 1.00 0.00 C ATOM 0 H VAL B 86 -5.720 11.779 -1.526 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.352 9.129 -0.736 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.793 11.714 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.981 10.695 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.361 10.224 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.275 9.080 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.459 11.120 1.304 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.667 9.538 1.110 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.696 11.029 1.080 1.00 0.00 H new ATOM 1706 N LYS B 87 -6.998 9.977 -3.787 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.425 9.510 -5.090 1.00 0.00 C ATOM 1708 C LYS B 87 -6.687 8.219 -5.451 1.00 0.00 C ATOM 1709 O LYS B 87 -7.302 7.223 -5.842 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.187 10.606 -6.139 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.994 11.889 -5.897 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.428 12.733 -4.753 1.00 0.00 C ATOM 1713 CE LYS B 87 -8.233 14.006 -4.528 1.00 0.00 C ATOM 1714 NZ LYS B 87 -7.708 14.809 -3.384 1.00 0.00 N ATOM 0 H LYS B 87 -6.542 10.889 -3.799 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.492 9.290 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.126 10.854 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.437 10.212 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.007 12.484 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -9.028 11.627 -5.673 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -7.420 12.143 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.393 12.993 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.213 14.611 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -9.275 13.747 -4.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.724 15.819 -3.632 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -8.302 14.649 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.731 14.520 -3.176 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.371 8.221 -5.270 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.571 7.044 -5.561 1.00 0.00 C ATOM 1730 C GLU B 88 -4.704 6.059 -4.406 1.00 0.00 C ATOM 1731 O GLU B 88 -4.637 4.846 -4.590 1.00 0.00 O ATOM 1732 CB GLU B 88 -3.107 7.435 -5.795 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.862 8.045 -7.170 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.630 7.494 -7.866 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -1.697 6.375 -8.412 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.590 8.191 -7.902 1.00 0.00 O ATOM 0 H GLU B 88 -4.841 9.021 -4.925 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.930 6.569 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.801 8.147 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.479 6.552 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.735 7.867 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.759 9.125 -7.066 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.926 6.609 -3.215 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.102 5.819 -2.003 1.00 0.00 C ATOM 1745 C ARG B 89 -6.287 4.877 -2.163 1.00 0.00 C ATOM 1746 O ARG B 89 -6.218 3.706 -1.793 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.329 6.753 -0.808 1.00 0.00 C ATOM 1748 CG ARG B 89 -4.905 6.186 0.538 1.00 0.00 C ATOM 1749 CD ARG B 89 -6.105 5.824 1.406 1.00 0.00 C ATOM 1750 NE ARG B 89 -7.204 6.776 1.273 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.379 6.466 0.726 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -8.623 5.219 0.347 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.316 7.388 0.571 1.00 0.00 N ATOM 0 H ARG B 89 -4.989 7.616 -3.065 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.204 5.226 -1.828 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.785 7.681 -0.982 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.388 7.008 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -4.290 5.300 0.381 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -4.286 6.915 1.060 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -6.457 4.829 1.135 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -5.793 5.779 2.449 1.00 0.00 H new ATOM 0 HE ARG B 89 -7.065 7.726 1.616 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -7.912 4.499 0.474 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.522 4.980 -0.072 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.142 8.347 0.871 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.212 7.139 0.151 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.371 5.399 -2.723 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.575 4.611 -2.943 1.00 0.00 C ATOM 1769 C ASP B 90 -8.377 3.622 -4.080 1.00 0.00 C ATOM 1770 O ASP B 90 -8.865 2.499 -4.014 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.783 5.513 -3.225 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.514 5.894 -1.952 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -10.772 4.996 -1.121 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -10.793 7.093 -1.751 1.00 0.00 O ATOM 0 H ASP B 90 -7.440 6.368 -3.034 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.774 4.051 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.450 6.416 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.470 5.000 -3.898 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.619 4.022 -5.099 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.368 3.146 -6.245 1.00 0.00 C ATOM 1781 C ALA B 91 -6.583 1.912 -5.807 1.00 0.00 C ATOM 1782 O ALA B 91 -6.795 0.802 -6.299 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.620 3.898 -7.336 1.00 0.00 C ATOM 0 H ALA B 91 -7.171 4.937 -5.157 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.326 2.820 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.442 3.232 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.216 4.749 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.666 4.252 -6.945 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.692 2.126 -4.856 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.865 1.064 -4.309 1.00 0.00 C ATOM 1791 C VAL B 92 -5.703 0.224 -3.365 1.00 0.00 C ATOM 1792 O VAL B 92 -5.701 -1.002 -3.431 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.643 1.625 -3.548 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.850 0.508 -2.891 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.749 2.424 -4.477 1.00 0.00 C ATOM 0 H VAL B 92 -5.521 3.042 -4.440 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.494 0.459 -5.136 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.015 2.288 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.996 0.931 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.487 -0.024 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.497 -0.186 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.896 2.809 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.395 1.781 -5.283 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.313 3.257 -4.897 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.436 0.918 -2.502 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.322 0.293 -1.534 1.00 0.00 C ATOM 1807 C LYS B 93 -8.272 -0.664 -2.240 1.00 0.00 C ATOM 1808 O LYS B 93 -8.499 -1.788 -1.792 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.123 1.381 -0.822 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.281 0.863 0.003 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.358 1.923 0.162 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.290 1.965 -1.036 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.083 0.716 -1.169 1.00 0.00 N ATOM 0 H LYS B 93 -6.430 1.937 -2.456 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.733 -0.268 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.452 1.943 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.506 2.080 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.704 -0.021 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -8.922 0.555 0.985 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.935 1.722 1.065 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -9.891 2.899 0.293 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.966 2.815 -0.940 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.707 2.122 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.969 0.333 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.748 0.017 -0.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.087 0.922 -0.996 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.812 -0.189 -3.348 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.734 -0.947 -4.170 1.00 0.00 C ATOM 1829 C ASP B 94 -9.099 -2.220 -4.704 1.00 0.00 C ATOM 1830 O ASP B 94 -9.657 -3.308 -4.563 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.227 -0.067 -5.313 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.504 0.668 -4.959 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.949 0.561 -3.791 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.067 1.344 -5.841 1.00 0.00 O ATOM 0 H ASP B 94 -8.619 0.747 -3.706 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.579 -1.251 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.454 0.656 -5.572 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.397 -0.683 -6.196 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.930 -2.088 -5.315 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.227 -3.244 -5.852 1.00 0.00 C ATOM 1841 C LEU B 95 -6.858 -4.207 -4.729 1.00 0.00 C ATOM 1842 O LEU B 95 -6.997 -5.421 -4.868 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.969 -2.808 -6.611 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.983 -3.079 -8.121 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.164 -2.382 -8.783 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.679 -2.623 -8.755 1.00 0.00 C ATOM 0 H LEU B 95 -7.451 -1.198 -5.451 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.890 -3.755 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.822 -1.740 -6.452 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.109 -3.316 -6.176 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.088 -4.153 -8.273 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.154 -2.588 -9.853 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.094 -2.752 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.090 -1.307 -8.619 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.706 -2.823 -9.826 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.548 -1.554 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.847 -3.165 -8.306 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.434 -3.650 -3.605 1.00 0.00 N ATOM 1859 CA LEU B 96 -6.034 -4.449 -2.459 1.00 0.00 C ATOM 1860 C LEU B 96 -7.204 -5.214 -1.855 1.00 0.00 C ATOM 1861 O LEU B 96 -7.119 -6.425 -1.668 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.382 -3.579 -1.402 1.00 0.00 C ATOM 1863 CG LEU B 96 -4.020 -3.046 -1.806 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.403 -2.245 -0.678 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.104 -4.180 -2.221 1.00 0.00 C ATOM 0 H LEU B 96 -6.358 -2.643 -3.463 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.311 -5.181 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.040 -2.739 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.279 -4.155 -0.483 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.152 -2.384 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.427 -1.872 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.051 -1.404 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.286 -2.882 0.199 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.132 -3.777 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.979 -4.871 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.541 -4.709 -3.068 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.298 -4.511 -1.567 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.478 -5.139 -0.972 1.00 0.00 C ATOM 1879 C GLN B 97 -10.047 -6.217 -1.891 1.00 0.00 C ATOM 1880 O GLN B 97 -10.741 -7.124 -1.441 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.561 -4.099 -0.652 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.277 -3.559 -1.879 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.639 -2.967 -1.563 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -13.569 -3.076 -2.358 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.769 -2.325 -0.413 1.00 0.00 N ATOM 0 H GLN B 97 -8.393 -3.509 -1.735 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.161 -5.606 -0.039 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.295 -4.547 0.017 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.105 -3.268 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.656 -2.796 -2.348 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.397 -4.363 -2.605 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.975 -2.254 0.224 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.663 -1.902 -0.163 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.759 -6.106 -3.180 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.233 -7.084 -4.148 1.00 0.00 C ATOM 1896 C GLN B 98 -9.301 -8.295 -4.216 1.00 0.00 C ATOM 1897 O GLN B 98 -9.734 -9.411 -4.507 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.352 -6.443 -5.528 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.689 -5.763 -5.767 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.705 -4.945 -7.041 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -12.011 -5.455 -8.118 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.373 -3.669 -6.927 1.00 0.00 N ATOM 0 H GLN B 98 -9.201 -5.351 -3.579 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.215 -7.428 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.554 -5.711 -5.650 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.201 -7.208 -6.290 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.474 -6.518 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.920 -5.116 -4.921 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.126 -3.286 -6.015 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.364 -3.069 -7.752 1.00 0.00 H new ATOM 1911 N LEU B 99 -8.021 -8.068 -3.970 1.00 0.00 N ATOM 1912 CA LEU B 99 -7.023 -9.134 -4.018 1.00 0.00 C ATOM 1913 C LEU B 99 -6.880 -9.865 -2.681 1.00 0.00 C ATOM 1914 O LEU B 99 -6.878 -11.095 -2.642 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.673 -8.558 -4.451 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.631 -8.084 -5.905 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.513 -7.076 -6.117 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.466 -9.267 -6.848 1.00 0.00 C ATOM 0 H LEU B 99 -7.643 -7.151 -3.733 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.365 -9.869 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.422 -7.720 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.904 -9.316 -4.305 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.578 -7.592 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.505 -6.755 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.675 -6.212 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.556 -7.537 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.438 -8.910 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.536 -9.788 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.305 -9.951 -6.724 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.795 -9.089 -1.604 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.608 -9.605 -0.240 1.00 0.00 C ATOM 1932 C LEU B 100 -7.440 -10.851 0.106 1.00 0.00 C ATOM 1933 O LEU B 100 -6.866 -11.853 0.513 1.00 0.00 O ATOM 1934 CB LEU B 100 -6.881 -8.501 0.787 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.686 -7.602 1.107 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.118 -6.435 1.979 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.589 -8.399 1.794 1.00 0.00 C ATOM 0 H LEU B 100 -6.854 -8.072 -1.648 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.567 -9.926 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.696 -7.878 0.419 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.226 -8.964 1.712 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.291 -7.207 0.171 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.256 -5.805 2.197 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.872 -5.848 1.454 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -6.537 -6.813 2.912 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -3.747 -7.743 2.014 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -4.973 -8.821 2.723 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.260 -9.205 1.138 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.785 -10.828 -0.046 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.652 -11.973 0.302 1.00 0.00 C ATOM 1951 C PRO B 101 -9.188 -13.314 -0.268 1.00 0.00 C ATOM 1952 O PRO B 101 -9.396 -14.359 0.349 1.00 0.00 O ATOM 1953 CB PRO B 101 -11.020 -11.595 -0.289 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.771 -10.403 -1.150 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.583 -9.710 -0.557 1.00 0.00 C ATOM 0 HA PRO B 101 -9.652 -12.129 1.381 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.437 -12.418 -0.870 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.737 -11.366 0.499 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.576 -10.699 -2.181 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.639 -9.745 -1.166 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.038 -9.130 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.870 -9.020 0.237 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.551 -13.284 -1.426 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.092 -14.506 -2.074 1.00 0.00 C ATOM 1965 C LYS B 102 -6.700 -14.929 -1.612 1.00 0.00 C ATOM 1966 O LYS B 102 -6.208 -15.980 -2.016 1.00 0.00 O ATOM 1967 CB LYS B 102 -8.092 -14.321 -3.591 1.00 0.00 C ATOM 1968 CG LYS B 102 -9.479 -14.102 -4.172 1.00 0.00 C ATOM 1969 CD LYS B 102 -9.657 -12.685 -4.695 1.00 0.00 C ATOM 1970 CE LYS B 102 -8.782 -12.414 -5.910 1.00 0.00 C ATOM 1971 NZ LYS B 102 -9.060 -11.078 -6.504 1.00 0.00 N ATOM 0 H LYS B 102 -8.339 -12.428 -1.939 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.785 -15.298 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.461 -13.470 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.646 -15.200 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -9.650 -14.812 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -10.229 -14.304 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -10.703 -12.524 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -9.413 -11.974 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.732 -12.473 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.951 -13.187 -6.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.267 -10.799 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.933 -11.123 -7.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.174 -10.377 -5.744 1.00 0.00 H new ATOM 1985 N PHE B 103 -6.061 -14.122 -0.777 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.718 -14.447 -0.319 1.00 0.00 C ATOM 1987 C PHE B 103 -4.583 -14.426 1.202 1.00 0.00 C ATOM 1988 O PHE B 103 -3.844 -15.238 1.759 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.701 -13.484 -0.937 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.605 -13.574 -2.435 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -2.983 -14.655 -3.038 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -4.136 -12.578 -3.239 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -2.891 -14.742 -4.414 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -4.047 -12.659 -4.616 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.425 -13.742 -5.204 1.00 0.00 C ATOM 0 H PHE B 103 -6.443 -13.251 -0.408 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.518 -15.467 -0.646 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.968 -12.464 -0.661 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.719 -13.684 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.565 -15.440 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.625 -11.729 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.403 -15.590 -4.871 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.464 -11.875 -5.231 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.356 -13.808 -6.280 1.00 0.00 H new