USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 874 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 76 ASN : amide:sc= -1.16 X(o=-0.93,f=-0.54) USER MOD Set 1.2: A 107 SER OG : rot 27:sc= 0.228 USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 51 ASN : amide:sc= -2.56 K(o=-15,f=-16!) USER MOD Set 3.2: A 60 ASN : amide:sc= -12! C(o=-15!,f=-24!) USER MOD Set 4.1: A 8 GLN : amide:sc= -1.01 K(o=-0.68,f=-17!) USER MOD Set 4.2: A 27 THR OG1 : rot -170:sc= -0.248 USER MOD Set 4.3: A 102 LYS NZ :NH3+ -120:sc= 0.581 (180deg=-0.418) USER MOD Single : A 1 TRP N :NH3+ -162:sc= 0.399 (180deg=0.121) USER MOD Single : A 3 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.34) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 163:sc= 0.663 (180deg=0.215) USER MOD Single : A 11 SER OG : rot 180:sc= -0.163 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= -0.325 (180deg=-1.36!) USER MOD Single : A 20 MET CE :methyl -114:sc= -8.3! (180deg=-15.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0396 USER MOD Single : A 26 ASN : amide:sc= -11.3! C(o=-11!,f=-12!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 35 LYS NZ :NH3+ -113:sc= -2.06 (180deg=-7.69!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 46 THR OG1 : rot -169:sc= -2.29! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.189 USER MOD Single : A 59 ASN : amide:sc= -0.0151 K(o=-0.015,f=-3.5!) USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= -0.254 (180deg=-0.275) USER MOD Single : A 63 GLN : amide:sc= -2.05 X(o=-2.1,f=-1.6!) USER MOD Single : A 64 SER OG : rot -124:sc= -4.92! USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= -0.569 (180deg=-0.809) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0236 USER MOD Single : A 69 THR OG1 : rot -170:sc= -2.1! USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= -0.481 (180deg=-0.565) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 77 SER OG : rot 50:sc= -1.12 USER MOD Single : A 87 ASN : amide:sc= -2.55 K(o=-2.6,f=-6.3!) USER MOD Single : A 91 ASN : amide:sc= -5.28! C(o=-5.3!,f=-11!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc=-0.00984 X(o=-0.0098,f=0) USER MOD Single : A 101 MET CE :methyl 147:sc= -1.14 (180deg=-3.98!) USER MOD Single : A 104 MET CE :methyl 167:sc= -0.0414 (180deg=-0.293) USER MOD Single : A 105 MET CE :methyl -151:sc= -0.127 (180deg=-0.783) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 9.384 -16.575 4.572 1.00 0.00 N ATOM 2 CA TRP A 1 8.297 -17.584 4.487 1.00 0.00 C ATOM 3 C TRP A 1 6.957 -16.925 4.174 1.00 0.00 C ATOM 4 O TRP A 1 6.742 -15.753 4.486 1.00 0.00 O ATOM 5 CB TRP A 1 8.219 -18.330 5.819 1.00 0.00 C ATOM 6 CG TRP A 1 8.063 -17.422 7.000 1.00 0.00 C ATOM 7 CD1 TRP A 1 9.063 -16.857 7.737 1.00 0.00 C ATOM 8 CD2 TRP A 1 6.833 -16.974 7.582 1.00 0.00 C ATOM 9 NE1 TRP A 1 8.531 -16.084 8.740 1.00 0.00 N ATOM 10 CE2 TRP A 1 7.164 -16.141 8.667 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.484 -17.197 7.290 1.00 0.00 C ATOM 12 CZ2 TRP A 1 6.195 -15.530 9.459 1.00 0.00 C ATOM 13 CZ3 TRP A 1 4.524 -16.590 8.077 1.00 0.00 C ATOM 14 CH2 TRP A 1 4.883 -15.765 9.150 1.00 0.00 C ATOM 0 H1 TRP A 1 10.305 -17.049 4.480 1.00 0.00 H new ATOM 0 H2 TRP A 1 9.274 -15.880 3.806 1.00 0.00 H new ATOM 0 H3 TRP A 1 9.335 -16.089 5.490 1.00 0.00 H new ATOM 0 HA TRP A 1 8.518 -18.281 3.678 1.00 0.00 H new ATOM 0 HB2 TRP A 1 7.379 -19.024 5.790 1.00 0.00 H new ATOM 0 HB3 TRP A 1 9.122 -18.928 5.946 1.00 0.00 H new ATOM 0 HD1 TRP A 1 10.119 -16.997 7.558 1.00 0.00 H new ATOM 0 HE1 TRP A 1 9.066 -15.554 9.427 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.198 -17.832 6.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 6.469 -14.894 10.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 3.479 -16.755 7.861 1.00 0.00 H new ATOM 0 HH2 TRP A 1 4.109 -15.305 9.746 1.00 0.00 H new ATOM 27 N VAL A 2 6.061 -17.685 3.555 1.00 0.00 N ATOM 28 CA VAL A 2 4.742 -17.176 3.197 1.00 0.00 C ATOM 29 C VAL A 2 3.645 -17.917 3.954 1.00 0.00 C ATOM 30 O VAL A 2 3.843 -19.045 4.404 1.00 0.00 O ATOM 31 CB VAL A 2 4.489 -17.300 1.683 1.00 0.00 C ATOM 32 CG1 VAL A 2 4.487 -18.761 1.252 1.00 0.00 C ATOM 33 CG2 VAL A 2 3.183 -16.621 1.295 1.00 0.00 C ATOM 0 H VAL A 2 6.224 -18.657 3.290 1.00 0.00 H new ATOM 0 HA VAL A 2 4.718 -16.122 3.475 1.00 0.00 H new ATOM 0 HB VAL A 2 5.302 -16.794 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.306 -18.824 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.453 -19.210 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.701 -19.296 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.026 -16.722 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.356 -17.090 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.230 -15.564 1.557 1.00 0.00 H new ATOM 43 N GLN A 3 2.491 -17.275 4.092 1.00 0.00 N ATOM 44 CA GLN A 3 1.365 -17.876 4.798 1.00 0.00 C ATOM 45 C GLN A 3 0.076 -17.755 3.985 1.00 0.00 C ATOM 46 O GLN A 3 -0.197 -16.709 3.397 1.00 0.00 O ATOM 47 CB GLN A 3 1.182 -17.215 6.166 1.00 0.00 C ATOM 48 CG GLN A 3 0.859 -18.199 7.280 1.00 0.00 C ATOM 49 CD GLN A 3 -0.580 -18.100 7.749 1.00 0.00 C ATOM 50 OE1 GLN A 3 -1.084 -17.009 8.014 1.00 0.00 O ATOM 51 NE2 GLN A 3 -1.248 -19.243 7.853 1.00 0.00 N ATOM 0 H GLN A 3 2.310 -16.340 3.725 1.00 0.00 H new ATOM 0 HA GLN A 3 1.584 -18.935 4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.093 -16.674 6.423 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.381 -16.478 6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.054 -19.213 6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.525 -18.018 8.124 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.789 -20.124 7.622 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.220 -19.239 8.163 1.00 0.00 H new ATOM 60 N PRO A 4 -0.739 -18.826 3.944 1.00 0.00 N ATOM 61 CA PRO A 4 -2.001 -18.830 3.202 1.00 0.00 C ATOM 62 C PRO A 4 -3.087 -18.025 3.909 1.00 0.00 C ATOM 63 O PRO A 4 -3.151 -17.997 5.138 1.00 0.00 O ATOM 64 CB PRO A 4 -2.377 -20.310 3.156 1.00 0.00 C ATOM 65 CG PRO A 4 -1.764 -20.890 4.382 1.00 0.00 C ATOM 66 CD PRO A 4 -0.492 -20.116 4.621 1.00 0.00 C ATOM 0 HA PRO A 4 -1.901 -18.371 2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.459 -20.444 3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.993 -20.789 2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.439 -20.803 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.555 -21.951 4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.299 -19.980 5.685 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.374 -20.629 4.203 1.00 0.00 H new ATOM 74 N ILE A 5 -3.941 -17.375 3.125 1.00 0.00 N ATOM 75 CA ILE A 5 -5.024 -16.571 3.678 1.00 0.00 C ATOM 76 C ILE A 5 -6.269 -17.420 3.924 1.00 0.00 C ATOM 77 O ILE A 5 -6.682 -18.201 3.066 1.00 0.00 O ATOM 78 CB ILE A 5 -5.380 -15.395 2.744 1.00 0.00 C ATOM 79 CG1 ILE A 5 -6.508 -14.552 3.347 1.00 0.00 C ATOM 80 CG2 ILE A 5 -5.768 -15.904 1.364 1.00 0.00 C ATOM 81 CD1 ILE A 5 -6.561 -13.139 2.808 1.00 0.00 C ATOM 0 H ILE A 5 -3.904 -17.389 2.106 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.674 -16.172 4.630 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.499 -14.762 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.462 -15.043 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.384 -14.515 4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.015 -15.059 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.934 -16.457 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.634 -16.561 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.383 -12.601 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.622 -12.631 3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.716 -13.167 1.729 1.00 0.00 H new ATOM 93 N THR A 6 -6.864 -17.258 5.102 1.00 0.00 N ATOM 94 CA THR A 6 -8.063 -18.006 5.462 1.00 0.00 C ATOM 95 C THR A 6 -9.312 -17.159 5.251 1.00 0.00 C ATOM 96 O THR A 6 -9.435 -16.068 5.808 1.00 0.00 O ATOM 97 CB THR A 6 -7.984 -18.467 6.918 1.00 0.00 C ATOM 98 OG1 THR A 6 -6.715 -19.030 7.198 1.00 0.00 O ATOM 99 CG2 THR A 6 -9.032 -19.496 7.280 1.00 0.00 C ATOM 0 H THR A 6 -6.535 -16.616 5.823 1.00 0.00 H new ATOM 0 HA THR A 6 -8.125 -18.881 4.815 1.00 0.00 H new ATOM 0 HB THR A 6 -8.159 -17.571 7.513 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.684 -19.317 8.134 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.918 -19.779 8.327 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.025 -19.074 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.909 -20.377 6.651 1.00 0.00 H new ATOM 107 N ALA A 7 -10.237 -17.664 4.441 1.00 0.00 N ATOM 108 CA ALA A 7 -11.475 -16.950 4.155 1.00 0.00 C ATOM 109 C ALA A 7 -11.186 -15.606 3.495 1.00 0.00 C ATOM 110 O ALA A 7 -10.048 -15.319 3.123 1.00 0.00 O ATOM 111 CB ALA A 7 -12.276 -16.751 5.432 1.00 0.00 C ATOM 0 H ALA A 7 -10.152 -18.565 3.971 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.064 -17.550 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -13.198 -16.216 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.517 -17.722 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.688 -16.172 6.144 1.00 0.00 H new ATOM 117 N GLN A 8 -12.221 -14.786 3.351 1.00 0.00 N ATOM 118 CA GLN A 8 -12.072 -13.472 2.734 1.00 0.00 C ATOM 119 C GLN A 8 -12.006 -12.379 3.794 1.00 0.00 C ATOM 120 O GLN A 8 -13.030 -11.827 4.195 1.00 0.00 O ATOM 121 CB GLN A 8 -13.231 -13.195 1.771 1.00 0.00 C ATOM 122 CG GLN A 8 -13.709 -14.426 1.017 1.00 0.00 C ATOM 123 CD GLN A 8 -12.631 -15.036 0.144 1.00 0.00 C ATOM 124 OE1 GLN A 8 -11.968 -15.995 0.535 1.00 0.00 O ATOM 125 NE2 GLN A 8 -12.451 -14.478 -1.048 1.00 0.00 N ATOM 0 H GLN A 8 -13.170 -15.007 3.652 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.138 -13.469 2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.066 -12.777 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.920 -12.437 1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.056 -15.172 1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.564 -14.157 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.024 -13.683 -1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.739 -14.844 -1.680 1.00 0.00 H new ATOM 134 N LYS A 9 -10.794 -12.071 4.239 1.00 0.00 N ATOM 135 CA LYS A 9 -10.589 -11.043 5.253 1.00 0.00 C ATOM 136 C LYS A 9 -9.295 -10.279 4.985 1.00 0.00 C ATOM 137 O LYS A 9 -8.435 -10.744 4.236 1.00 0.00 O ATOM 138 CB LYS A 9 -10.552 -11.670 6.649 1.00 0.00 C ATOM 139 CG LYS A 9 -11.734 -11.281 7.524 1.00 0.00 C ATOM 140 CD LYS A 9 -12.977 -12.087 7.180 1.00 0.00 C ATOM 141 CE LYS A 9 -14.192 -11.190 7.002 1.00 0.00 C ATOM 142 NZ LYS A 9 -13.960 -10.136 5.978 1.00 0.00 N ATOM 0 H LYS A 9 -9.937 -12.519 3.914 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.423 -10.343 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.526 -12.755 6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.629 -11.373 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.478 -11.436 8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.944 -10.218 7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.803 -12.652 6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.172 -12.812 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.050 -11.796 6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.440 -10.722 7.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.872 -9.737 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.369 -9.382 6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.476 -10.551 5.156 1.00 0.00 H new ATOM 156 N PRO A 10 -9.138 -9.092 5.592 1.00 0.00 N ATOM 157 CA PRO A 10 -7.941 -8.270 5.411 1.00 0.00 C ATOM 158 C PRO A 10 -6.747 -8.805 6.196 1.00 0.00 C ATOM 159 O PRO A 10 -6.181 -8.104 7.034 1.00 0.00 O ATOM 160 CB PRO A 10 -8.371 -6.907 5.950 1.00 0.00 C ATOM 161 CG PRO A 10 -9.405 -7.217 6.977 1.00 0.00 C ATOM 162 CD PRO A 10 -10.113 -8.458 6.502 1.00 0.00 C ATOM 0 HA PRO A 10 -7.609 -8.249 4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.529 -6.369 6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.776 -6.277 5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.947 -7.380 7.953 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.104 -6.388 7.087 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.371 -9.115 7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.043 -8.216 5.987 1.00 0.00 H new ATOM 170 N SER A 11 -6.368 -10.052 5.922 1.00 0.00 N ATOM 171 CA SER A 11 -5.242 -10.671 6.611 1.00 0.00 C ATOM 172 C SER A 11 -4.530 -11.685 5.721 1.00 0.00 C ATOM 173 O SER A 11 -5.104 -12.705 5.338 1.00 0.00 O ATOM 174 CB SER A 11 -5.716 -11.350 7.898 1.00 0.00 C ATOM 175 OG SER A 11 -6.615 -10.522 8.612 1.00 0.00 O ATOM 0 H SER A 11 -6.823 -10.649 5.231 1.00 0.00 H new ATOM 0 HA SER A 11 -4.532 -9.882 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.202 -12.295 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.857 -11.585 8.526 1.00 0.00 H new ATOM 0 HG SER A 11 -6.903 -10.980 9.429 1.00 0.00 H new ATOM 181 N LEU A 12 -3.272 -11.396 5.404 1.00 0.00 N ATOM 182 CA LEU A 12 -2.461 -12.275 4.568 1.00 0.00 C ATOM 183 C LEU A 12 -0.995 -11.866 4.651 1.00 0.00 C ATOM 184 O LEU A 12 -0.682 -10.713 4.935 1.00 0.00 O ATOM 185 CB LEU A 12 -2.958 -12.242 3.113 1.00 0.00 C ATOM 186 CG LEU A 12 -1.903 -11.916 2.046 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.370 -12.380 0.672 1.00 0.00 C ATOM 188 CD2 LEU A 12 -1.600 -10.423 2.035 1.00 0.00 C ATOM 0 H LEU A 12 -2.789 -10.554 5.716 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.556 -13.298 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.395 -13.212 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.758 -11.506 3.040 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.986 -12.451 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.609 -12.140 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.535 -13.457 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.301 -11.875 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.850 -10.209 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.512 -9.868 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.221 -10.121 3.011 1.00 0.00 H new ATOM 200 N THR A 13 -0.099 -12.814 4.406 1.00 0.00 N ATOM 201 CA THR A 13 1.328 -12.529 4.462 1.00 0.00 C ATOM 202 C THR A 13 1.994 -12.771 3.111 1.00 0.00 C ATOM 203 O THR A 13 2.082 -13.906 2.643 1.00 0.00 O ATOM 204 CB THR A 13 1.998 -13.390 5.533 1.00 0.00 C ATOM 205 OG1 THR A 13 1.204 -13.440 6.707 1.00 0.00 O ATOM 206 CG2 THR A 13 3.371 -12.892 5.929 1.00 0.00 C ATOM 0 H THR A 13 -0.333 -13.778 4.169 1.00 0.00 H new ATOM 0 HA THR A 13 1.449 -11.476 4.718 1.00 0.00 H new ATOM 0 HB THR A 13 2.103 -14.378 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.649 -13.997 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.790 -13.548 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.023 -12.889 5.055 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.291 -11.880 6.325 1.00 0.00 H new ATOM 214 N LEU A 14 2.482 -11.695 2.504 1.00 0.00 N ATOM 215 CA LEU A 14 3.167 -11.777 1.217 1.00 0.00 C ATOM 216 C LEU A 14 4.421 -10.925 1.242 1.00 0.00 C ATOM 217 O LEU A 14 4.673 -10.208 2.203 1.00 0.00 O ATOM 218 CB LEU A 14 2.275 -11.332 0.058 1.00 0.00 C ATOM 219 CG LEU A 14 0.872 -11.946 0.016 1.00 0.00 C ATOM 220 CD1 LEU A 14 0.183 -11.602 -1.298 1.00 0.00 C ATOM 221 CD2 LEU A 14 0.930 -13.457 0.204 1.00 0.00 C ATOM 0 H LEU A 14 2.416 -10.751 2.884 1.00 0.00 H new ATOM 0 HA LEU A 14 3.427 -12.823 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.174 -10.247 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.782 -11.570 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 14 0.293 -11.525 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.813 -12.045 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.100 -10.519 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.768 -11.995 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.079 -13.867 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.529 -13.900 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.382 -13.687 1.169 1.00 0.00 H new ATOM 233 N TRP A 15 5.215 -11.020 0.191 1.00 0.00 N ATOM 234 CA TRP A 15 6.459 -10.275 0.111 1.00 0.00 C ATOM 235 C TRP A 15 6.306 -9.017 -0.734 1.00 0.00 C ATOM 236 O TRP A 15 5.625 -9.020 -1.753 1.00 0.00 O ATOM 237 CB TRP A 15 7.536 -11.224 -0.417 1.00 0.00 C ATOM 238 CG TRP A 15 8.317 -10.752 -1.596 1.00 0.00 C ATOM 239 CD1 TRP A 15 7.833 -10.270 -2.772 1.00 0.00 C ATOM 240 CD2 TRP A 15 9.738 -10.778 -1.722 1.00 0.00 C ATOM 241 NE1 TRP A 15 8.875 -9.954 -3.606 1.00 0.00 N ATOM 242 CE2 TRP A 15 10.052 -10.263 -2.986 1.00 0.00 C ATOM 243 CE3 TRP A 15 10.773 -11.175 -0.880 1.00 0.00 C ATOM 244 CZ2 TRP A 15 11.362 -10.137 -3.434 1.00 0.00 C ATOM 245 CZ3 TRP A 15 12.071 -11.053 -1.323 1.00 0.00 C ATOM 246 CH2 TRP A 15 12.357 -10.537 -2.587 1.00 0.00 C ATOM 0 H TRP A 15 5.020 -11.607 -0.620 1.00 0.00 H new ATOM 0 HA TRP A 15 6.754 -9.916 1.097 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.234 -11.433 0.394 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.060 -12.169 -0.679 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.787 -10.154 -3.013 1.00 0.00 H new ATOM 0 HE1 TRP A 15 8.785 -9.553 -4.539 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.562 -11.571 0.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 11.585 -9.739 -4.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 12.882 -11.362 -0.680 1.00 0.00 H new ATOM 0 HH2 TRP A 15 13.386 -10.452 -2.903 1.00 0.00 H new ATOM 257 N LEU A 16 6.937 -7.934 -0.292 1.00 0.00 N ATOM 258 CA LEU A 16 6.858 -6.667 -1.008 1.00 0.00 C ATOM 259 C LEU A 16 8.223 -5.991 -1.132 1.00 0.00 C ATOM 260 O LEU A 16 8.943 -5.823 -0.148 1.00 0.00 O ATOM 261 CB LEU A 16 5.869 -5.727 -0.316 1.00 0.00 C ATOM 262 CG LEU A 16 5.961 -5.687 1.210 1.00 0.00 C ATOM 263 CD1 LEU A 16 7.162 -4.868 1.655 1.00 0.00 C ATOM 264 CD2 LEU A 16 4.680 -5.121 1.804 1.00 0.00 C ATOM 0 H LEU A 16 7.506 -7.908 0.554 1.00 0.00 H new ATOM 0 HA LEU A 16 6.506 -6.886 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.024 -4.718 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.857 -6.022 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 16 6.090 -6.707 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.209 -4.853 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.074 -5.315 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.066 -3.849 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.761 -5.099 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.522 -4.109 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.837 -5.749 1.516 1.00 0.00 H new ATOM 276 N ASP A 17 8.538 -5.592 -2.364 1.00 0.00 N ATOM 277 CA ASP A 17 9.786 -4.900 -2.719 1.00 0.00 C ATOM 278 C ASP A 17 10.956 -5.148 -1.761 1.00 0.00 C ATOM 279 O ASP A 17 11.772 -4.248 -1.564 1.00 0.00 O ATOM 280 CB ASP A 17 9.533 -3.394 -2.803 1.00 0.00 C ATOM 281 CG ASP A 17 8.759 -2.869 -1.609 1.00 0.00 C ATOM 282 OD1 ASP A 17 7.539 -3.122 -1.536 1.00 0.00 O ATOM 283 OD2 ASP A 17 9.374 -2.206 -0.748 1.00 0.00 O ATOM 0 H ASP A 17 7.922 -5.742 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 17 10.083 -5.318 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.487 -2.872 -2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.981 -3.172 -3.716 1.00 0.00 H new ATOM 288 N ASP A 18 11.071 -6.346 -1.182 1.00 0.00 N ATOM 289 CA ASP A 18 12.191 -6.623 -0.276 1.00 0.00 C ATOM 290 C ASP A 18 12.022 -7.915 0.519 1.00 0.00 C ATOM 291 O ASP A 18 12.959 -8.707 0.621 1.00 0.00 O ATOM 292 CB ASP A 18 12.399 -5.462 0.708 1.00 0.00 C ATOM 293 CG ASP A 18 13.743 -4.783 0.528 1.00 0.00 C ATOM 294 OD1 ASP A 18 13.845 -3.881 -0.330 1.00 0.00 O ATOM 295 OD2 ASP A 18 14.696 -5.154 1.244 1.00 0.00 O ATOM 0 H ASP A 18 10.422 -7.121 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 18 13.064 -6.739 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.604 -4.729 0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.318 -5.836 1.729 1.00 0.00 H new ATOM 300 N LYS A 19 10.852 -8.117 1.119 1.00 0.00 N ATOM 301 CA LYS A 19 10.641 -9.311 1.934 1.00 0.00 C ATOM 302 C LYS A 19 9.184 -9.498 2.344 1.00 0.00 C ATOM 303 O LYS A 19 8.352 -8.605 2.184 1.00 0.00 O ATOM 304 CB LYS A 19 11.518 -9.249 3.185 1.00 0.00 C ATOM 305 CG LYS A 19 11.166 -8.101 4.116 1.00 0.00 C ATOM 306 CD LYS A 19 12.412 -7.426 4.665 1.00 0.00 C ATOM 307 CE LYS A 19 12.933 -8.138 5.903 1.00 0.00 C ATOM 308 NZ LYS A 19 11.856 -8.360 6.909 1.00 0.00 N ATOM 0 H LYS A 19 10.052 -7.486 1.060 1.00 0.00 H new ATOM 0 HA LYS A 19 10.917 -10.167 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.427 -10.189 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.561 -9.155 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.561 -7.370 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.559 -8.474 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.187 -7.413 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.187 -6.388 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.365 -9.097 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.733 -7.549 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.252 -8.272 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.107 -7.651 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.457 -9.312 6.785 1.00 0.00 H new ATOM 322 N MET A 20 8.897 -10.683 2.877 1.00 0.00 N ATOM 323 CA MET A 20 7.554 -11.037 3.327 1.00 0.00 C ATOM 324 C MET A 20 7.134 -10.193 4.530 1.00 0.00 C ATOM 325 O MET A 20 7.967 -9.772 5.331 1.00 0.00 O ATOM 326 CB MET A 20 7.488 -12.528 3.684 1.00 0.00 C ATOM 327 CG MET A 20 8.326 -13.421 2.773 1.00 0.00 C ATOM 328 SD MET A 20 7.338 -14.620 1.859 1.00 0.00 S ATOM 329 CE MET A 20 7.680 -14.123 0.172 1.00 0.00 C ATOM 0 H MET A 20 9.587 -11.423 3.009 1.00 0.00 H new ATOM 0 HA MET A 20 6.862 -10.834 2.510 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.822 -12.660 4.713 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.449 -12.856 3.642 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.875 -12.797 2.067 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.066 -13.950 3.373 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.768 -13.741 -0.287 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.441 -13.343 0.170 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.039 -14.982 -0.395 1.00 0.00 H new ATOM 339 N PHE A 21 5.830 -9.956 4.643 1.00 0.00 N ATOM 340 CA PHE A 21 5.273 -9.169 5.734 1.00 0.00 C ATOM 341 C PHE A 21 3.760 -9.386 5.824 1.00 0.00 C ATOM 342 O PHE A 21 3.187 -10.140 5.035 1.00 0.00 O ATOM 343 CB PHE A 21 5.617 -7.681 5.544 1.00 0.00 C ATOM 344 CG PHE A 21 4.461 -6.803 5.139 1.00 0.00 C ATOM 345 CD1 PHE A 21 3.711 -7.091 4.010 1.00 0.00 C ATOM 346 CD2 PHE A 21 4.127 -5.690 5.893 1.00 0.00 C ATOM 347 CE1 PHE A 21 2.652 -6.284 3.640 1.00 0.00 C ATOM 348 CE2 PHE A 21 3.070 -4.879 5.529 1.00 0.00 C ATOM 349 CZ PHE A 21 2.331 -5.177 4.400 1.00 0.00 C ATOM 0 H PHE A 21 5.134 -10.303 3.983 1.00 0.00 H new ATOM 0 HA PHE A 21 5.715 -9.498 6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.034 -7.299 6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.398 -7.598 4.788 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.957 -7.956 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.701 -5.453 6.777 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.076 -6.519 2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.822 -4.014 6.126 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.504 -4.545 4.113 1.00 0.00 H new ATOM 359 N THR A 22 3.122 -8.731 6.789 1.00 0.00 N ATOM 360 CA THR A 22 1.680 -8.869 6.978 1.00 0.00 C ATOM 361 C THR A 22 0.914 -7.716 6.332 1.00 0.00 C ATOM 362 O THR A 22 1.202 -6.546 6.579 1.00 0.00 O ATOM 363 CB THR A 22 1.347 -8.942 8.472 1.00 0.00 C ATOM 364 OG1 THR A 22 2.413 -8.432 9.251 1.00 0.00 O ATOM 365 CG2 THR A 22 1.062 -10.350 8.951 1.00 0.00 C ATOM 0 H THR A 22 3.577 -8.102 7.450 1.00 0.00 H new ATOM 0 HA THR A 22 1.371 -9.794 6.491 1.00 0.00 H new ATOM 0 HB THR A 22 0.446 -8.341 8.597 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.179 -8.486 10.201 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.833 -10.333 10.017 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.211 -10.755 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.936 -10.977 8.778 1.00 0.00 H new ATOM 373 N GLY A 23 -0.073 -8.064 5.509 1.00 0.00 N ATOM 374 CA GLY A 23 -0.885 -7.062 4.840 1.00 0.00 C ATOM 375 C GLY A 23 -2.369 -7.349 4.980 1.00 0.00 C ATOM 376 O GLY A 23 -2.759 -8.270 5.698 1.00 0.00 O ATOM 0 H GLY A 23 -0.325 -9.028 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.665 -6.079 5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.620 -7.027 3.783 1.00 0.00 H new ATOM 380 N LEU A 24 -3.201 -6.563 4.301 1.00 0.00 N ATOM 381 CA LEU A 24 -4.643 -6.749 4.371 1.00 0.00 C ATOM 382 C LEU A 24 -5.243 -6.983 2.985 1.00 0.00 C ATOM 383 O LEU A 24 -5.096 -6.158 2.083 1.00 0.00 O ATOM 384 CB LEU A 24 -5.318 -5.543 5.044 1.00 0.00 C ATOM 385 CG LEU A 24 -4.492 -4.250 5.129 1.00 0.00 C ATOM 386 CD1 LEU A 24 -3.271 -4.440 6.017 1.00 0.00 C ATOM 387 CD2 LEU A 24 -4.084 -3.769 3.742 1.00 0.00 C ATOM 0 H LEU A 24 -2.901 -5.796 3.700 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.829 -7.637 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.239 -5.324 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.602 -5.833 6.056 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.121 -3.482 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.704 -3.510 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.591 -4.716 7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.642 -5.230 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.501 -2.853 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.483 -4.536 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.976 -3.574 3.147 1.00 0.00 H new ATOM 399 N ILE A 25 -5.924 -8.113 2.828 1.00 0.00 N ATOM 400 CA ILE A 25 -6.556 -8.459 1.561 1.00 0.00 C ATOM 401 C ILE A 25 -8.070 -8.311 1.650 1.00 0.00 C ATOM 402 O ILE A 25 -8.723 -8.975 2.455 1.00 0.00 O ATOM 403 CB ILE A 25 -6.220 -9.899 1.136 1.00 0.00 C ATOM 404 CG1 ILE A 25 -4.713 -10.139 1.228 1.00 0.00 C ATOM 405 CG2 ILE A 25 -6.724 -10.169 -0.276 1.00 0.00 C ATOM 406 CD1 ILE A 25 -3.905 -9.330 0.236 1.00 0.00 C ATOM 0 H ILE A 25 -6.052 -8.806 3.565 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.164 -7.769 0.814 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.721 -10.590 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.377 -9.900 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.513 -11.198 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.478 -11.192 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.805 -10.033 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.250 -9.475 -0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.846 -9.553 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.212 -9.586 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.075 -8.267 0.409 1.00 0.00 H new ATOM 418 N ASN A 26 -8.621 -7.438 0.816 1.00 0.00 N ATOM 419 CA ASN A 26 -10.060 -7.203 0.796 1.00 0.00 C ATOM 420 C ASN A 26 -10.671 -7.701 -0.508 1.00 0.00 C ATOM 421 O ASN A 26 -10.568 -7.045 -1.544 1.00 0.00 O ATOM 422 CB ASN A 26 -10.370 -5.714 0.984 1.00 0.00 C ATOM 423 CG ASN A 26 -9.263 -4.813 0.468 1.00 0.00 C ATOM 424 OD1 ASN A 26 -8.551 -4.178 1.246 1.00 0.00 O ATOM 425 ND2 ASN A 26 -9.110 -4.758 -0.849 1.00 0.00 N ATOM 0 H ASN A 26 -8.093 -6.881 0.144 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.501 -7.759 1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -11.299 -5.473 0.467 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.533 -5.512 2.043 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.379 -4.172 -1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.723 -5.301 -1.457 1.00 0.00 H new ATOM 432 N THR A 27 -11.306 -8.864 -0.448 1.00 0.00 N ATOM 433 CA THR A 27 -11.935 -9.463 -1.623 1.00 0.00 C ATOM 434 C THR A 27 -12.775 -8.442 -2.390 1.00 0.00 C ATOM 435 O THR A 27 -12.986 -8.581 -3.595 1.00 0.00 O ATOM 436 CB THR A 27 -12.798 -10.652 -1.201 1.00 0.00 C ATOM 437 OG1 THR A 27 -13.264 -11.362 -2.336 1.00 0.00 O ATOM 438 CG2 THR A 27 -14.006 -10.255 -0.378 1.00 0.00 C ATOM 0 H THR A 27 -11.401 -9.415 0.405 1.00 0.00 H new ATOM 0 HA THR A 27 -11.146 -9.809 -2.291 1.00 0.00 H new ATOM 0 HB THR A 27 -12.149 -11.275 -0.585 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.937 -12.018 -2.058 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.574 -11.146 -0.112 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.677 -9.750 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.637 -9.582 -0.959 1.00 0.00 H new ATOM 446 N GLY A 28 -13.247 -7.416 -1.688 1.00 0.00 N ATOM 447 CA GLY A 28 -14.050 -6.387 -2.323 1.00 0.00 C ATOM 448 C GLY A 28 -13.349 -5.042 -2.344 1.00 0.00 C ATOM 449 O GLY A 28 -13.749 -4.114 -1.643 1.00 0.00 O ATOM 0 H GLY A 28 -13.087 -7.279 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.283 -6.689 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.999 -6.292 -1.795 1.00 0.00 H new ATOM 453 N ALA A 29 -12.294 -4.940 -3.149 1.00 0.00 N ATOM 454 CA ALA A 29 -11.529 -3.703 -3.256 1.00 0.00 C ATOM 455 C ALA A 29 -12.107 -2.782 -4.319 1.00 0.00 C ATOM 456 O ALA A 29 -12.787 -3.229 -5.242 1.00 0.00 O ATOM 457 CB ALA A 29 -10.069 -4.003 -3.560 1.00 0.00 C ATOM 0 H ALA A 29 -11.950 -5.700 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.593 -3.191 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.514 -3.068 -3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.648 -4.611 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.998 -4.545 -4.503 1.00 0.00 H new ATOM 463 N ASP A 30 -11.826 -1.494 -4.179 1.00 0.00 N ATOM 464 CA ASP A 30 -12.307 -0.493 -5.123 1.00 0.00 C ATOM 465 C ASP A 30 -11.301 0.647 -5.258 1.00 0.00 C ATOM 466 O ASP A 30 -11.110 1.191 -6.345 1.00 0.00 O ATOM 467 CB ASP A 30 -13.663 0.054 -4.676 1.00 0.00 C ATOM 468 CG ASP A 30 -13.660 0.494 -3.226 1.00 0.00 C ATOM 469 OD1 ASP A 30 -13.052 1.541 -2.924 1.00 0.00 O ATOM 470 OD2 ASP A 30 -14.268 -0.210 -2.392 1.00 0.00 O ATOM 0 H ASP A 30 -11.264 -1.115 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.424 -0.970 -6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.937 0.898 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.425 -0.712 -4.819 1.00 0.00 H new ATOM 475 N VAL A 31 -10.660 1.002 -4.148 1.00 0.00 N ATOM 476 CA VAL A 31 -9.675 2.072 -4.143 1.00 0.00 C ATOM 477 C VAL A 31 -8.368 1.615 -3.491 1.00 0.00 C ATOM 478 O VAL A 31 -8.367 1.081 -2.382 1.00 0.00 O ATOM 479 CB VAL A 31 -10.214 3.324 -3.417 1.00 0.00 C ATOM 480 CG1 VAL A 31 -10.290 3.092 -1.914 1.00 0.00 C ATOM 481 CG2 VAL A 31 -9.359 4.539 -3.741 1.00 0.00 C ATOM 0 H VAL A 31 -10.808 0.561 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.474 2.332 -5.182 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.226 3.517 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.673 3.989 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.957 2.255 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.295 2.866 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -9.754 5.411 -3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.333 4.358 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.376 4.719 -4.816 1.00 0.00 H new ATOM 491 N THR A 32 -7.262 1.829 -4.195 1.00 0.00 N ATOM 492 CA THR A 32 -5.941 1.441 -3.706 1.00 0.00 C ATOM 493 C THR A 32 -5.354 2.511 -2.802 1.00 0.00 C ATOM 494 O THR A 32 -4.971 3.590 -3.254 1.00 0.00 O ATOM 495 CB THR A 32 -4.994 1.175 -4.879 1.00 0.00 C ATOM 496 OG1 THR A 32 -5.644 1.407 -6.116 1.00 0.00 O ATOM 497 CG2 THR A 32 -4.451 -0.237 -4.902 1.00 0.00 C ATOM 0 H THR A 32 -7.253 2.273 -5.113 1.00 0.00 H new ATOM 0 HA THR A 32 -6.057 0.526 -3.125 1.00 0.00 H new ATOM 0 HB THR A 32 -4.162 1.865 -4.737 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.020 1.233 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.787 -0.358 -5.758 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.897 -0.429 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.277 -0.943 -4.981 1.00 0.00 H new ATOM 505 N ILE A 33 -5.285 2.191 -1.521 1.00 0.00 N ATOM 506 CA ILE A 33 -4.739 3.109 -0.529 1.00 0.00 C ATOM 507 C ILE A 33 -3.813 2.387 0.437 1.00 0.00 C ATOM 508 O ILE A 33 -4.125 1.297 0.916 1.00 0.00 O ATOM 509 CB ILE A 33 -5.847 3.803 0.285 1.00 0.00 C ATOM 510 CG1 ILE A 33 -7.133 3.929 -0.538 1.00 0.00 C ATOM 511 CG2 ILE A 33 -5.379 5.171 0.756 1.00 0.00 C ATOM 512 CD1 ILE A 33 -6.992 4.838 -1.738 1.00 0.00 C ATOM 0 H ILE A 33 -5.601 1.299 -1.140 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.181 3.862 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.064 3.189 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.438 2.938 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.930 4.306 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.173 5.649 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.495 5.057 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.133 5.789 -0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.940 4.881 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.717 5.839 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.217 4.450 -2.399 1.00 0.00 H new ATOM 524 N ILE A 34 -2.681 3.011 0.731 1.00 0.00 N ATOM 525 CA ILE A 34 -1.709 2.447 1.653 1.00 0.00 C ATOM 526 C ILE A 34 -1.185 3.543 2.579 1.00 0.00 C ATOM 527 O ILE A 34 -0.500 4.463 2.145 1.00 0.00 O ATOM 528 CB ILE A 34 -0.548 1.750 0.894 1.00 0.00 C ATOM 529 CG1 ILE A 34 -0.378 0.315 1.397 1.00 0.00 C ATOM 530 CG2 ILE A 34 0.761 2.516 1.045 1.00 0.00 C ATOM 531 CD1 ILE A 34 -1.565 -0.576 1.110 1.00 0.00 C ATOM 0 H ILE A 34 -2.413 3.914 0.340 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.201 1.683 2.255 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.805 1.734 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.510 -0.119 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.202 0.335 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.551 1.998 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.642 3.522 0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.028 2.576 2.100 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.371 -1.577 1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.452 -0.167 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.729 -0.628 0.034 1.00 0.00 H new ATOM 543 N LYS A 35 -1.537 3.450 3.850 1.00 0.00 N ATOM 544 CA LYS A 35 -1.139 4.443 4.838 1.00 0.00 C ATOM 545 C LYS A 35 0.337 4.797 4.742 1.00 0.00 C ATOM 546 O LYS A 35 1.128 4.081 4.129 1.00 0.00 O ATOM 547 CB LYS A 35 -1.479 3.974 6.257 1.00 0.00 C ATOM 548 CG LYS A 35 -1.530 2.463 6.439 1.00 0.00 C ATOM 549 CD LYS A 35 -0.266 1.779 5.954 1.00 0.00 C ATOM 550 CE LYS A 35 -0.451 0.270 5.923 1.00 0.00 C ATOM 551 NZ LYS A 35 0.157 -0.347 4.710 1.00 0.00 N ATOM 0 H LYS A 35 -2.103 2.690 4.226 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.708 5.346 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.740 4.383 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.445 4.392 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.683 2.232 7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.387 2.063 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.010 2.140 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.567 2.035 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.002 -0.168 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.515 0.035 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.594 -0.732 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.692 0.374 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.799 -1.114 4.995 1.00 0.00 H new ATOM 565 N LEU A 36 0.690 5.925 5.352 1.00 0.00 N ATOM 566 CA LEU A 36 2.062 6.412 5.339 1.00 0.00 C ATOM 567 C LEU A 36 2.958 5.577 6.249 1.00 0.00 C ATOM 568 O LEU A 36 4.162 5.481 6.029 1.00 0.00 O ATOM 569 CB LEU A 36 2.094 7.871 5.780 1.00 0.00 C ATOM 570 CG LEU A 36 2.777 8.824 4.797 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.809 9.901 4.336 1.00 0.00 C ATOM 572 CD2 LEU A 36 4.016 9.446 5.428 1.00 0.00 C ATOM 0 H LEU A 36 0.039 6.521 5.864 1.00 0.00 H new ATOM 0 HA LEU A 36 2.442 6.326 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.071 8.210 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.605 7.934 6.740 1.00 0.00 H new ATOM 0 HG LEU A 36 3.090 8.251 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.313 10.569 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.956 9.436 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.462 10.472 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.488 10.121 4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.729 10.004 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.718 8.659 5.703 1.00 0.00 H new ATOM 584 N GLU A 37 2.365 4.985 7.277 1.00 0.00 N ATOM 585 CA GLU A 37 3.113 4.167 8.227 1.00 0.00 C ATOM 586 C GLU A 37 3.909 3.067 7.524 1.00 0.00 C ATOM 587 O GLU A 37 4.883 2.549 8.073 1.00 0.00 O ATOM 588 CB GLU A 37 2.162 3.543 9.249 1.00 0.00 C ATOM 589 CG GLU A 37 1.568 4.551 10.218 1.00 0.00 C ATOM 590 CD GLU A 37 0.365 4.007 10.962 1.00 0.00 C ATOM 591 OE1 GLU A 37 0.552 3.142 11.843 1.00 0.00 O ATOM 592 OE2 GLU A 37 -0.767 4.447 10.664 1.00 0.00 O ATOM 0 H GLU A 37 1.367 5.055 7.476 1.00 0.00 H new ATOM 0 HA GLU A 37 3.821 4.821 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.353 3.039 8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.698 2.780 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.330 4.850 10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.277 5.447 9.671 1.00 0.00 H new ATOM 599 N ASP A 38 3.489 2.704 6.313 1.00 0.00 N ATOM 600 CA ASP A 38 4.165 1.656 5.551 1.00 0.00 C ATOM 601 C ASP A 38 4.860 2.225 4.313 1.00 0.00 C ATOM 602 O ASP A 38 5.093 1.509 3.339 1.00 0.00 O ATOM 603 CB ASP A 38 3.163 0.575 5.138 1.00 0.00 C ATOM 604 CG ASP A 38 3.462 -0.767 5.779 1.00 0.00 C ATOM 605 OD1 ASP A 38 3.253 -0.902 7.002 1.00 0.00 O ATOM 606 OD2 ASP A 38 3.907 -1.683 5.055 1.00 0.00 O ATOM 0 H ASP A 38 2.686 3.119 5.840 1.00 0.00 H new ATOM 0 HA ASP A 38 4.928 1.215 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.157 0.891 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.176 0.467 4.053 1.00 0.00 H new ATOM 611 N TRP A 39 5.188 3.512 4.354 1.00 0.00 N ATOM 612 CA TRP A 39 5.853 4.169 3.234 1.00 0.00 C ATOM 613 C TRP A 39 7.346 4.350 3.512 1.00 0.00 C ATOM 614 O TRP A 39 7.757 4.532 4.658 1.00 0.00 O ATOM 615 CB TRP A 39 5.195 5.531 2.951 1.00 0.00 C ATOM 616 CG TRP A 39 6.176 6.661 2.826 1.00 0.00 C ATOM 617 CD1 TRP A 39 6.749 7.124 1.678 1.00 0.00 C ATOM 618 CD2 TRP A 39 6.709 7.458 3.890 1.00 0.00 C ATOM 619 NE1 TRP A 39 7.608 8.157 1.963 1.00 0.00 N ATOM 620 CE2 TRP A 39 7.597 8.385 3.314 1.00 0.00 C ATOM 621 CE3 TRP A 39 6.520 7.481 5.276 1.00 0.00 C ATOM 622 CZ2 TRP A 39 8.294 9.322 4.074 1.00 0.00 C ATOM 623 CZ3 TRP A 39 7.210 8.411 6.029 1.00 0.00 C ATOM 624 CH2 TRP A 39 8.087 9.321 5.426 1.00 0.00 C ATOM 0 H TRP A 39 5.004 4.121 5.151 1.00 0.00 H new ATOM 0 HA TRP A 39 5.746 3.534 2.355 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.616 5.461 2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.492 5.759 3.753 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.555 6.735 0.689 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.164 8.671 1.280 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.846 6.783 5.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.973 10.024 3.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.071 8.437 7.100 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.611 10.037 6.042 1.00 0.00 H new ATOM 635 N PRO A 40 8.179 4.309 2.456 1.00 0.00 N ATOM 636 CA PRO A 40 9.630 4.476 2.584 1.00 0.00 C ATOM 637 C PRO A 40 10.010 5.752 3.328 1.00 0.00 C ATOM 638 O PRO A 40 9.885 6.851 2.788 1.00 0.00 O ATOM 639 CB PRO A 40 10.111 4.568 1.135 1.00 0.00 C ATOM 640 CG PRO A 40 9.073 3.858 0.344 1.00 0.00 C ATOM 641 CD PRO A 40 7.771 4.095 1.054 1.00 0.00 C ATOM 0 HA PRO A 40 10.074 3.660 3.154 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.210 5.606 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.089 4.102 1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.034 4.237 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.293 2.792 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.246 4.961 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.099 3.242 0.957 1.00 0.00 H new ATOM 649 N PRO A 41 10.497 5.630 4.573 1.00 0.00 N ATOM 650 CA PRO A 41 10.909 6.788 5.365 1.00 0.00 C ATOM 651 C PRO A 41 12.210 7.395 4.845 1.00 0.00 C ATOM 652 O PRO A 41 12.624 8.472 5.277 1.00 0.00 O ATOM 653 CB PRO A 41 11.108 6.208 6.764 1.00 0.00 C ATOM 654 CG PRO A 41 11.453 4.776 6.533 1.00 0.00 C ATOM 655 CD PRO A 41 10.702 4.361 5.297 1.00 0.00 C ATOM 0 HA PRO A 41 10.178 7.596 5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.904 6.726 7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.204 6.306 7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.527 4.651 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.166 4.163 7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.272 3.648 4.702 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.754 3.883 5.545 1.00 0.00 H new ATOM 663 N ASN A 42 12.848 6.693 3.912 1.00 0.00 N ATOM 664 CA ASN A 42 14.098 7.149 3.323 1.00 0.00 C ATOM 665 C ASN A 42 13.919 8.491 2.622 1.00 0.00 C ATOM 666 O ASN A 42 14.776 9.370 2.716 1.00 0.00 O ATOM 667 CB ASN A 42 14.610 6.111 2.324 1.00 0.00 C ATOM 668 CG ASN A 42 16.117 6.159 2.160 1.00 0.00 C ATOM 669 OD1 ASN A 42 16.692 7.217 1.905 1.00 0.00 O ATOM 670 ND2 ASN A 42 16.765 5.009 2.303 1.00 0.00 N ATOM 0 H ASN A 42 12.515 5.801 3.548 1.00 0.00 H new ATOM 0 HA ASN A 42 14.825 7.276 4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.315 5.115 2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.137 6.278 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.780 4.979 2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.248 4.155 2.514 1.00 0.00 H new ATOM 677 N TRP A 43 12.805 8.644 1.911 1.00 0.00 N ATOM 678 CA TRP A 43 12.529 9.882 1.188 1.00 0.00 C ATOM 679 C TRP A 43 11.159 10.450 1.554 1.00 0.00 C ATOM 680 O TRP A 43 10.232 9.702 1.866 1.00 0.00 O ATOM 681 CB TRP A 43 12.607 9.638 -0.323 1.00 0.00 C ATOM 682 CG TRP A 43 11.484 8.795 -0.849 1.00 0.00 C ATOM 683 CD1 TRP A 43 10.169 9.147 -0.937 1.00 0.00 C ATOM 684 CD2 TRP A 43 11.576 7.458 -1.355 1.00 0.00 C ATOM 685 NE1 TRP A 43 9.438 8.112 -1.467 1.00 0.00 N ATOM 686 CE2 TRP A 43 10.279 7.068 -1.731 1.00 0.00 C ATOM 687 CE3 TRP A 43 12.628 6.555 -1.528 1.00 0.00 C ATOM 688 CZ2 TRP A 43 10.003 5.818 -2.268 1.00 0.00 C ATOM 689 CZ3 TRP A 43 12.352 5.311 -2.063 1.00 0.00 C ATOM 690 CH2 TRP A 43 11.048 4.953 -2.427 1.00 0.00 C ATOM 0 H TRP A 43 12.082 7.930 1.820 1.00 0.00 H new ATOM 0 HA TRP A 43 13.285 10.613 1.477 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.603 10.598 -0.839 1.00 0.00 H new ATOM 0 HB3 TRP A 43 13.555 9.154 -0.557 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.762 10.100 -0.634 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.432 8.121 -1.636 1.00 0.00 H new ATOM 0 HE3 TRP A 43 13.636 6.824 -1.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.998 5.540 -2.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 13.156 4.603 -2.203 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.865 3.973 -2.842 1.00 0.00 H new ATOM 701 N PRO A 44 11.012 11.788 1.513 1.00 0.00 N ATOM 702 CA PRO A 44 9.746 12.455 1.834 1.00 0.00 C ATOM 703 C PRO A 44 8.705 12.271 0.736 1.00 0.00 C ATOM 704 O PRO A 44 9.048 12.119 -0.435 1.00 0.00 O ATOM 705 CB PRO A 44 10.142 13.925 1.952 1.00 0.00 C ATOM 706 CG PRO A 44 11.334 14.065 1.070 1.00 0.00 C ATOM 707 CD PRO A 44 12.065 12.751 1.142 1.00 0.00 C ATOM 0 HA PRO A 44 9.286 12.050 2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.332 14.581 1.631 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.378 14.191 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.036 14.289 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.971 14.884 1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.524 12.495 0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.864 12.777 1.883 1.00 0.00 H new ATOM 715 N ILE A 45 7.434 12.275 1.119 1.00 0.00 N ATOM 716 CA ILE A 45 6.352 12.094 0.161 1.00 0.00 C ATOM 717 C ILE A 45 5.224 13.099 0.371 1.00 0.00 C ATOM 718 O ILE A 45 5.225 13.871 1.329 1.00 0.00 O ATOM 719 CB ILE A 45 5.758 10.675 0.251 1.00 0.00 C ATOM 720 CG1 ILE A 45 5.534 10.276 1.711 1.00 0.00 C ATOM 721 CG2 ILE A 45 6.662 9.666 -0.435 1.00 0.00 C ATOM 722 CD1 ILE A 45 4.219 10.752 2.273 1.00 0.00 C ATOM 0 H ILE A 45 7.128 12.401 2.084 1.00 0.00 H new ATOM 0 HA ILE A 45 6.792 12.253 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 45 4.796 10.680 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.583 9.190 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.345 10.679 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.222 8.672 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.774 9.933 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.640 9.668 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.130 10.432 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.175 11.840 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.400 10.328 1.691 1.00 0.00 H new ATOM 734 N THR A 46 4.251 13.056 -0.534 1.00 0.00 N ATOM 735 CA THR A 46 3.085 13.931 -0.475 1.00 0.00 C ATOM 736 C THR A 46 2.239 13.600 0.758 1.00 0.00 C ATOM 737 O THR A 46 2.610 12.728 1.536 1.00 0.00 O ATOM 738 CB THR A 46 2.267 13.821 -1.764 1.00 0.00 C ATOM 739 OG1 THR A 46 2.442 12.553 -2.368 1.00 0.00 O ATOM 740 CG2 THR A 46 2.644 14.865 -2.792 1.00 0.00 C ATOM 0 H THR A 46 4.248 12.415 -1.327 1.00 0.00 H new ATOM 0 HA THR A 46 3.420 14.964 -0.385 1.00 0.00 H new ATOM 0 HB THR A 46 1.231 13.974 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.056 12.564 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.030 14.736 -3.683 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.478 15.860 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.696 14.752 -3.056 1.00 0.00 H new ATOM 748 N ASP A 47 1.126 14.319 0.949 1.00 0.00 N ATOM 749 CA ASP A 47 0.247 14.134 2.105 1.00 0.00 C ATOM 750 C ASP A 47 -0.387 15.474 2.449 1.00 0.00 C ATOM 751 O ASP A 47 -1.610 15.636 2.449 1.00 0.00 O ATOM 752 CB ASP A 47 1.019 13.631 3.331 1.00 0.00 C ATOM 753 CG ASP A 47 0.194 13.692 4.603 1.00 0.00 C ATOM 754 OD1 ASP A 47 -1.028 13.443 4.530 1.00 0.00 O ATOM 755 OD2 ASP A 47 0.768 13.996 5.669 1.00 0.00 O ATOM 0 H ASP A 47 0.811 15.045 0.305 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.506 13.390 1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.339 12.603 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.922 14.229 3.458 1.00 0.00 H new ATOM 760 N THR A 48 0.483 16.431 2.730 1.00 0.00 N ATOM 761 CA THR A 48 0.073 17.780 3.091 1.00 0.00 C ATOM 762 C THR A 48 0.780 18.820 2.230 1.00 0.00 C ATOM 763 O THR A 48 1.970 19.088 2.398 1.00 0.00 O ATOM 764 CB THR A 48 0.365 18.045 4.569 1.00 0.00 C ATOM 765 OG1 THR A 48 0.171 19.413 4.882 1.00 0.00 O ATOM 766 CG2 THR A 48 1.774 17.675 4.977 1.00 0.00 C ATOM 0 H THR A 48 1.494 16.295 2.714 1.00 0.00 H new ATOM 0 HA THR A 48 -1.000 17.862 2.915 1.00 0.00 H new ATOM 0 HB THR A 48 -0.332 17.412 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.361 19.561 5.832 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.914 17.888 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.938 16.613 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.487 18.257 4.393 1.00 0.00 H new ATOM 774 N LEU A 49 0.027 19.399 1.312 1.00 0.00 N ATOM 775 CA LEU A 49 0.537 20.417 0.404 1.00 0.00 C ATOM 776 C LEU A 49 0.204 21.813 0.936 1.00 0.00 C ATOM 777 O LEU A 49 -0.411 21.947 1.993 1.00 0.00 O ATOM 778 CB LEU A 49 -0.049 20.177 -0.991 1.00 0.00 C ATOM 779 CG LEU A 49 0.339 21.172 -2.094 1.00 0.00 C ATOM 780 CD1 LEU A 49 1.848 21.185 -2.298 1.00 0.00 C ATOM 781 CD2 LEU A 49 -0.370 20.829 -3.398 1.00 0.00 C ATOM 0 H LEU A 49 -0.959 19.177 1.173 1.00 0.00 H new ATOM 0 HA LEU A 49 1.623 20.353 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.248 19.180 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.136 20.174 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 49 0.025 22.168 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.103 21.896 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.338 21.479 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.185 20.189 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.083 21.545 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.087 19.825 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.449 20.871 -3.248 1.00 0.00 H new ATOM 793 N THR A 50 0.635 22.849 0.223 1.00 0.00 N ATOM 794 CA THR A 50 0.397 24.229 0.641 1.00 0.00 C ATOM 795 C THR A 50 -0.684 24.891 -0.209 1.00 0.00 C ATOM 796 O THR A 50 -0.583 24.941 -1.436 1.00 0.00 O ATOM 797 CB THR A 50 1.693 25.036 0.554 1.00 0.00 C ATOM 798 OG1 THR A 50 2.821 24.182 0.623 1.00 0.00 O ATOM 799 CG2 THR A 50 1.833 26.068 1.654 1.00 0.00 C ATOM 0 H THR A 50 1.153 22.760 -0.651 1.00 0.00 H new ATOM 0 HA THR A 50 0.050 24.209 1.674 1.00 0.00 H new ATOM 0 HB THR A 50 1.645 25.554 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.640 24.717 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.774 26.604 1.532 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.004 26.773 1.599 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.822 25.570 2.624 1.00 0.00 H new ATOM 807 N ASN A 51 -1.708 25.418 0.456 1.00 0.00 N ATOM 808 CA ASN A 51 -2.800 26.103 -0.217 1.00 0.00 C ATOM 809 C ASN A 51 -3.044 27.430 0.465 1.00 0.00 C ATOM 810 O ASN A 51 -3.943 27.550 1.294 1.00 0.00 O ATOM 811 CB ASN A 51 -4.074 25.257 -0.165 1.00 0.00 C ATOM 812 CG ASN A 51 -5.147 25.769 -1.105 1.00 0.00 C ATOM 813 OD1 ASN A 51 -5.126 26.928 -1.519 1.00 0.00 O ATOM 814 ND2 ASN A 51 -6.095 24.903 -1.447 1.00 0.00 N ATOM 0 H ASN A 51 -1.802 25.381 1.471 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.532 26.264 -1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.832 24.225 -0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.461 25.250 0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.845 25.190 -2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.073 23.952 -1.080 1.00 0.00 H new ATOM 821 N LEU A 52 -2.241 28.422 0.134 1.00 0.00 N ATOM 822 CA LEU A 52 -2.380 29.725 0.749 1.00 0.00 C ATOM 823 C LEU A 52 -3.383 30.591 0.002 1.00 0.00 C ATOM 824 O LEU A 52 -3.160 30.977 -1.146 1.00 0.00 O ATOM 825 CB LEU A 52 -1.026 30.426 0.814 1.00 0.00 C ATOM 826 CG LEU A 52 -0.151 30.099 2.032 1.00 0.00 C ATOM 827 CD1 LEU A 52 -0.954 30.110 3.316 1.00 0.00 C ATOM 828 CD2 LEU A 52 0.536 28.759 1.851 1.00 0.00 C ATOM 0 H LEU A 52 -1.490 28.351 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.755 29.576 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.467 30.175 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.196 31.502 0.794 1.00 0.00 H new ATOM 0 HG LEU A 52 0.608 30.877 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.300 29.874 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.392 31.097 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.749 29.366 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.152 28.545 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.215 27.978 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.166 28.790 0.962 1.00 0.00 H new ATOM 840 N ARG A 53 -4.485 30.905 0.676 1.00 0.00 N ATOM 841 CA ARG A 53 -5.530 31.740 0.103 1.00 0.00 C ATOM 842 C ARG A 53 -5.197 33.224 0.252 1.00 0.00 C ATOM 843 O ARG A 53 -6.069 34.073 0.100 1.00 0.00 O ATOM 844 CB ARG A 53 -6.891 31.431 0.732 1.00 0.00 C ATOM 845 CG ARG A 53 -7.753 30.509 -0.115 1.00 0.00 C ATOM 846 CD ARG A 53 -8.642 29.624 0.744 1.00 0.00 C ATOM 847 NE ARG A 53 -8.427 28.203 0.471 1.00 0.00 N ATOM 848 CZ ARG A 53 -9.379 27.274 0.557 1.00 0.00 C ATOM 849 NH1 ARG A 53 -10.614 27.605 0.918 1.00 0.00 N ATOM 850 NH2 ARG A 53 -9.094 26.009 0.281 1.00 0.00 N ATOM 0 H ARG A 53 -4.676 30.590 1.627 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.585 31.510 -0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.736 30.974 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.427 32.366 0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.372 31.104 -0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.114 29.885 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.445 29.825 1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.687 29.874 0.562 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.491 27.905 0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.840 28.576 1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.336 26.888 0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.148 25.748 0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.821 25.297 0.346 1.00 0.00 H new ATOM 864 N GLY A 54 -3.951 33.532 0.618 1.00 0.00 N ATOM 865 CA GLY A 54 -3.563 34.920 0.823 1.00 0.00 C ATOM 866 C GLY A 54 -4.118 35.432 2.122 1.00 0.00 C ATOM 867 O GLY A 54 -3.379 35.770 3.047 1.00 0.00 O ATOM 0 H GLY A 54 -3.209 32.850 0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.476 35.004 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.928 35.532 -0.002 1.00 0.00 H new ATOM 871 N ILE A 55 -5.432 35.427 2.197 1.00 0.00 N ATOM 872 CA ILE A 55 -6.138 35.825 3.393 1.00 0.00 C ATOM 873 C ILE A 55 -6.648 34.572 4.087 1.00 0.00 C ATOM 874 O ILE A 55 -7.086 34.611 5.237 1.00 0.00 O ATOM 875 CB ILE A 55 -7.316 36.772 3.085 1.00 0.00 C ATOM 876 CG1 ILE A 55 -8.083 36.297 1.847 1.00 0.00 C ATOM 877 CG2 ILE A 55 -6.807 38.193 2.894 1.00 0.00 C ATOM 878 CD1 ILE A 55 -9.115 37.283 1.355 1.00 0.00 C ATOM 0 H ILE A 55 -6.040 35.146 1.428 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.450 36.373 4.037 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.004 36.761 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.372 36.098 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.577 35.353 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.646 38.854 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.308 38.526 3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.101 38.218 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.616 36.877 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.849 37.464 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.626 38.221 1.092 1.00 0.00 H new ATOM 890 N GLY A 56 -6.568 33.449 3.367 1.00 0.00 N ATOM 891 CA GLY A 56 -7.005 32.179 3.911 1.00 0.00 C ATOM 892 C GLY A 56 -5.901 31.130 3.916 1.00 0.00 C ATOM 893 O GLY A 56 -6.080 30.033 3.389 1.00 0.00 O ATOM 0 H GLY A 56 -6.206 33.402 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.363 32.329 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.849 31.810 3.328 1.00 0.00 H new ATOM 897 N GLN A 57 -4.750 31.470 4.496 1.00 0.00 N ATOM 898 CA GLN A 57 -3.617 30.556 4.559 1.00 0.00 C ATOM 899 C GLN A 57 -4.049 29.134 4.919 1.00 0.00 C ATOM 900 O GLN A 57 -4.162 28.779 6.093 1.00 0.00 O ATOM 901 CB GLN A 57 -2.596 31.059 5.580 1.00 0.00 C ATOM 902 CG GLN A 57 -3.170 31.252 6.973 1.00 0.00 C ATOM 903 CD GLN A 57 -2.436 32.315 7.766 1.00 0.00 C ATOM 904 OE1 GLN A 57 -2.627 33.512 7.547 1.00 0.00 O ATOM 905 NE2 GLN A 57 -1.591 31.882 8.694 1.00 0.00 N ATOM 0 H GLN A 57 -4.580 32.377 4.930 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.165 30.526 3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.769 30.351 5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.184 32.006 5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.222 31.526 6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.127 30.306 7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.464 30.881 8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.069 32.551 9.260 1.00 0.00 H new ATOM 914 N SER A 58 -4.281 28.328 3.890 1.00 0.00 N ATOM 915 CA SER A 58 -4.694 26.939 4.066 1.00 0.00 C ATOM 916 C SER A 58 -3.624 25.984 3.538 1.00 0.00 C ATOM 917 O SER A 58 -2.605 26.412 2.998 1.00 0.00 O ATOM 918 CB SER A 58 -6.021 26.685 3.348 1.00 0.00 C ATOM 919 OG SER A 58 -6.507 25.381 3.621 1.00 0.00 O ATOM 0 H SER A 58 -4.189 28.615 2.916 1.00 0.00 H new ATOM 0 HA SER A 58 -4.826 26.756 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.757 27.424 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.886 26.809 2.273 1.00 0.00 H new ATOM 0 HG SER A 58 -7.357 25.244 3.152 1.00 0.00 H new ATOM 925 N ASN A 59 -3.864 24.686 3.702 1.00 0.00 N ATOM 926 CA ASN A 59 -2.925 23.666 3.242 1.00 0.00 C ATOM 927 C ASN A 59 -3.546 22.799 2.147 1.00 0.00 C ATOM 928 O ASN A 59 -4.623 22.232 2.332 1.00 0.00 O ATOM 929 CB ASN A 59 -2.487 22.786 4.416 1.00 0.00 C ATOM 930 CG ASN A 59 -1.515 23.495 5.338 1.00 0.00 C ATOM 931 OD1 ASN A 59 -1.603 24.706 5.537 1.00 0.00 O ATOM 932 ND2 ASN A 59 -0.579 22.742 5.904 1.00 0.00 N ATOM 0 H ASN A 59 -4.702 24.315 4.150 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.054 24.172 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.365 22.480 4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.023 21.878 4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.104 23.164 6.532 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.544 21.741 5.710 1.00 0.00 H new ATOM 939 N ASN A 60 -2.858 22.688 1.011 1.00 0.00 N ATOM 940 CA ASN A 60 -3.348 21.879 -0.099 1.00 0.00 C ATOM 941 C ASN A 60 -3.327 20.394 0.269 1.00 0.00 C ATOM 942 O ASN A 60 -2.801 20.009 1.313 1.00 0.00 O ATOM 943 CB ASN A 60 -2.531 22.129 -1.372 1.00 0.00 C ATOM 944 CG ASN A 60 -3.374 22.657 -2.519 1.00 0.00 C ATOM 945 OD1 ASN A 60 -4.028 23.691 -2.407 1.00 0.00 O ATOM 946 ND2 ASN A 60 -3.357 21.944 -3.639 1.00 0.00 N ATOM 0 H ASN A 60 -1.964 23.147 0.838 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.378 22.174 -0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.736 22.842 -1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.051 21.200 -1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.900 22.250 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.801 21.091 -3.692 1.00 0.00 H new ATOM 953 N PRO A 61 -3.955 19.555 -0.565 1.00 0.00 N ATOM 954 CA PRO A 61 -4.088 18.119 -0.343 1.00 0.00 C ATOM 955 C PRO A 61 -3.253 17.226 -1.268 1.00 0.00 C ATOM 956 O PRO A 61 -3.466 17.214 -2.481 1.00 0.00 O ATOM 957 CB PRO A 61 -5.553 17.954 -0.712 1.00 0.00 C ATOM 958 CG PRO A 61 -5.714 18.847 -1.913 1.00 0.00 C ATOM 959 CD PRO A 61 -4.668 19.942 -1.780 1.00 0.00 C ATOM 0 HA PRO A 61 -3.760 17.826 0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.794 16.917 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.209 18.256 0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.572 18.285 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.717 19.271 -1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.006 19.977 -2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.123 20.928 -1.686 1.00 0.00 H new ATOM 967 N LYS A 62 -2.350 16.432 -0.690 1.00 0.00 N ATOM 968 CA LYS A 62 -1.552 15.490 -1.475 1.00 0.00 C ATOM 969 C LYS A 62 -1.330 14.213 -0.693 1.00 0.00 C ATOM 970 O LYS A 62 -1.561 14.176 0.499 1.00 0.00 O ATOM 971 CB LYS A 62 -0.211 16.073 -1.886 1.00 0.00 C ATOM 972 CG LYS A 62 -0.338 17.355 -2.676 1.00 0.00 C ATOM 973 CD LYS A 62 1.022 17.866 -3.123 1.00 0.00 C ATOM 974 CE LYS A 62 1.353 17.405 -4.534 1.00 0.00 C ATOM 975 NZ LYS A 62 0.651 18.221 -5.562 1.00 0.00 N ATOM 0 H LYS A 62 -2.154 16.422 0.311 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.114 15.276 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.385 16.261 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.330 15.338 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.970 17.186 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.831 18.113 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.034 18.955 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.789 17.513 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.429 17.467 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.074 16.358 -4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.633 17.703 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.323 18.408 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.152 19.123 -5.691 1.00 0.00 H new ATOM 989 N GLN A 63 -0.873 13.178 -1.375 1.00 0.00 N ATOM 990 CA GLN A 63 -0.611 11.884 -0.749 1.00 0.00 C ATOM 991 C GLN A 63 0.358 11.066 -1.599 1.00 0.00 C ATOM 992 O GLN A 63 0.323 11.130 -2.827 1.00 0.00 O ATOM 993 CB GLN A 63 -1.914 11.096 -0.529 1.00 0.00 C ATOM 994 CG GLN A 63 -3.128 11.646 -1.271 1.00 0.00 C ATOM 995 CD GLN A 63 -4.132 12.304 -0.342 1.00 0.00 C ATOM 996 OE1 GLN A 63 -3.778 13.158 0.471 1.00 0.00 O ATOM 997 NE2 GLN A 63 -5.395 11.907 -0.458 1.00 0.00 N ATOM 0 H GLN A 63 -0.672 13.205 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.158 12.072 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.754 10.063 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.135 11.078 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.797 12.371 -2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.616 10.835 -1.812 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.645 11.196 -1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.114 12.313 0.140 1.00 0.00 H new ATOM 1006 N SER A 64 1.235 10.314 -0.940 1.00 0.00 N ATOM 1007 CA SER A 64 2.229 9.502 -1.650 1.00 0.00 C ATOM 1008 C SER A 64 1.576 8.532 -2.628 1.00 0.00 C ATOM 1009 O SER A 64 0.478 8.028 -2.392 1.00 0.00 O ATOM 1010 CB SER A 64 3.116 8.734 -0.673 1.00 0.00 C ATOM 1011 OG SER A 64 4.426 8.595 -1.188 1.00 0.00 O ATOM 0 H SER A 64 1.281 10.247 0.077 1.00 0.00 H new ATOM 0 HA SER A 64 2.849 10.194 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.150 9.257 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.688 7.749 -0.483 1.00 0.00 H new ATOM 0 HG SER A 64 4.668 7.646 -1.215 1.00 0.00 H new ATOM 1017 N SER A 65 2.268 8.291 -3.736 1.00 0.00 N ATOM 1018 CA SER A 65 1.782 7.395 -4.780 1.00 0.00 C ATOM 1019 C SER A 65 2.697 6.179 -4.960 1.00 0.00 C ATOM 1020 O SER A 65 2.292 5.179 -5.549 1.00 0.00 O ATOM 1021 CB SER A 65 1.657 8.148 -6.106 1.00 0.00 C ATOM 1022 OG SER A 65 0.737 9.221 -5.997 1.00 0.00 O ATOM 0 H SER A 65 3.177 8.708 -3.936 1.00 0.00 H new ATOM 0 HA SER A 65 0.802 7.034 -4.470 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.633 8.530 -6.404 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.330 7.463 -6.888 1.00 0.00 H new ATOM 0 HG SER A 65 0.676 9.688 -6.856 1.00 0.00 H new ATOM 1028 N LYS A 66 3.940 6.292 -4.471 1.00 0.00 N ATOM 1029 CA LYS A 66 4.948 5.226 -4.591 1.00 0.00 C ATOM 1030 C LYS A 66 4.327 3.865 -4.895 1.00 0.00 C ATOM 1031 O LYS A 66 3.522 3.351 -4.118 1.00 0.00 O ATOM 1032 CB LYS A 66 5.782 5.135 -3.312 1.00 0.00 C ATOM 1033 CG LYS A 66 6.923 4.132 -3.402 1.00 0.00 C ATOM 1034 CD LYS A 66 7.903 4.499 -4.507 1.00 0.00 C ATOM 1035 CE LYS A 66 7.777 3.572 -5.706 1.00 0.00 C ATOM 1036 NZ LYS A 66 7.593 4.327 -6.975 1.00 0.00 N ATOM 0 H LYS A 66 4.276 7.122 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 66 5.588 5.492 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.191 6.119 -3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.131 4.860 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.448 4.090 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.520 3.136 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.726 5.527 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.921 4.455 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.669 2.951 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.932 2.900 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.030 3.758 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.098 5.220 -6.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.522 4.531 -7.395 1.00 0.00 H new ATOM 1050 N TYR A 67 4.708 3.286 -6.031 1.00 0.00 N ATOM 1051 CA TYR A 67 4.188 1.987 -6.429 1.00 0.00 C ATOM 1052 C TYR A 67 4.630 0.913 -5.457 1.00 0.00 C ATOM 1053 O TYR A 67 5.793 0.511 -5.439 1.00 0.00 O ATOM 1054 CB TYR A 67 4.644 1.615 -7.837 1.00 0.00 C ATOM 1055 CG TYR A 67 3.877 2.312 -8.928 1.00 0.00 C ATOM 1056 CD1 TYR A 67 4.257 3.564 -9.387 1.00 0.00 C ATOM 1057 CD2 TYR A 67 2.768 1.710 -9.499 1.00 0.00 C ATOM 1058 CE1 TYR A 67 3.549 4.199 -10.388 1.00 0.00 C ATOM 1059 CE2 TYR A 67 2.055 2.333 -10.499 1.00 0.00 C ATOM 1060 CZ TYR A 67 2.449 3.579 -10.942 1.00 0.00 C ATOM 1061 OH TYR A 67 1.738 4.208 -11.939 1.00 0.00 O ATOM 0 H TYR A 67 5.372 3.696 -6.688 1.00 0.00 H new ATOM 0 HA TYR A 67 3.100 2.056 -6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.703 1.853 -7.941 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.545 0.537 -7.968 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.120 4.050 -8.955 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.457 0.735 -9.154 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.855 5.175 -10.735 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.193 1.849 -10.934 1.00 0.00 H new ATOM 0 HH TYR A 67 0.994 3.636 -12.221 1.00 0.00 H new ATOM 1071 N LEU A 68 3.689 0.435 -4.665 1.00 0.00 N ATOM 1072 CA LEU A 68 3.969 -0.616 -3.705 1.00 0.00 C ATOM 1073 C LEU A 68 3.887 -1.967 -4.390 1.00 0.00 C ATOM 1074 O LEU A 68 2.813 -2.395 -4.827 1.00 0.00 O ATOM 1075 CB LEU A 68 2.994 -0.559 -2.529 1.00 0.00 C ATOM 1076 CG LEU A 68 3.530 -1.149 -1.225 1.00 0.00 C ATOM 1077 CD1 LEU A 68 4.808 -0.438 -0.803 1.00 0.00 C ATOM 1078 CD2 LEU A 68 2.483 -1.057 -0.126 1.00 0.00 C ATOM 0 H LEU A 68 2.722 0.759 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 68 4.976 -0.469 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.717 0.481 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.083 -1.090 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 68 3.760 -2.201 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.175 -0.871 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.563 -0.555 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.602 0.622 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.883 -1.482 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.221 -0.012 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.593 -1.611 -0.424 1.00 0.00 H new ATOM 1090 N THR A 69 5.030 -2.630 -4.495 1.00 0.00 N ATOM 1091 CA THR A 69 5.093 -3.931 -5.134 1.00 0.00 C ATOM 1092 C THR A 69 4.802 -5.033 -4.127 1.00 0.00 C ATOM 1093 O THR A 69 5.487 -5.166 -3.115 1.00 0.00 O ATOM 1094 CB THR A 69 6.458 -4.144 -5.786 1.00 0.00 C ATOM 1095 OG1 THR A 69 7.463 -3.437 -5.086 1.00 0.00 O ATOM 1096 CG2 THR A 69 6.508 -3.695 -7.231 1.00 0.00 C ATOM 0 H THR A 69 5.924 -2.286 -4.145 1.00 0.00 H new ATOM 0 HA THR A 69 4.333 -3.969 -5.914 1.00 0.00 H new ATOM 0 HB THR A 69 6.630 -5.220 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.296 -3.455 -5.603 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.505 -3.874 -7.633 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.776 -4.256 -7.812 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.279 -2.631 -7.289 1.00 0.00 H new ATOM 1104 N TRP A 70 3.780 -5.822 -4.423 1.00 0.00 N ATOM 1105 CA TRP A 70 3.383 -6.919 -3.565 1.00 0.00 C ATOM 1106 C TRP A 70 3.301 -8.197 -4.376 1.00 0.00 C ATOM 1107 O TRP A 70 2.739 -8.219 -5.470 1.00 0.00 O ATOM 1108 CB TRP A 70 2.038 -6.626 -2.895 1.00 0.00 C ATOM 1109 CG TRP A 70 1.936 -7.153 -1.492 1.00 0.00 C ATOM 1110 CD1 TRP A 70 2.938 -7.697 -0.739 1.00 0.00 C ATOM 1111 CD2 TRP A 70 0.760 -7.182 -0.673 1.00 0.00 C ATOM 1112 NE1 TRP A 70 2.458 -8.065 0.494 1.00 0.00 N ATOM 1113 CE2 TRP A 70 1.124 -7.761 0.560 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -0.565 -6.780 -0.862 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 0.211 -7.942 1.595 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -1.470 -6.960 0.168 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -1.078 -7.536 1.382 1.00 0.00 C ATOM 0 H TRP A 70 3.208 -5.718 -5.261 1.00 0.00 H new ATOM 0 HA TRP A 70 4.131 -7.039 -2.781 1.00 0.00 H new ATOM 0 HB2 TRP A 70 1.876 -5.548 -2.882 1.00 0.00 H new ATOM 0 HB3 TRP A 70 1.240 -7.061 -3.496 1.00 0.00 H new ATOM 0 HD1 TRP A 70 3.960 -7.820 -1.066 1.00 0.00 H new ATOM 0 HE1 TRP A 70 3.006 -8.495 1.239 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.877 -6.337 -1.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.510 -8.387 2.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.496 -6.651 0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.809 -7.663 2.167 1.00 0.00 H new ATOM 1128 N ARG A 71 3.875 -9.255 -3.845 1.00 0.00 N ATOM 1129 CA ARG A 71 3.883 -10.534 -4.524 1.00 0.00 C ATOM 1130 C ARG A 71 3.981 -11.665 -3.521 1.00 0.00 C ATOM 1131 O ARG A 71 4.656 -11.544 -2.498 1.00 0.00 O ATOM 1132 CB ARG A 71 5.045 -10.630 -5.521 1.00 0.00 C ATOM 1133 CG ARG A 71 6.162 -9.613 -5.303 1.00 0.00 C ATOM 1134 CD ARG A 71 6.284 -8.645 -6.469 1.00 0.00 C ATOM 1135 NE ARG A 71 4.981 -8.178 -6.941 1.00 0.00 N ATOM 1136 CZ ARG A 71 4.377 -8.628 -8.042 1.00 0.00 C ATOM 1137 NH1 ARG A 71 4.945 -9.565 -8.791 1.00 0.00 N ATOM 1138 NH2 ARG A 71 3.196 -8.141 -8.391 1.00 0.00 N ATOM 0 H ARG A 71 4.345 -9.255 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 71 2.947 -10.619 -5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.470 -11.632 -5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.651 -10.505 -6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.971 -9.055 -4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.108 -10.137 -5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.886 -7.789 -6.166 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.812 -9.132 -7.289 1.00 0.00 H new ATOM 0 HE ARG A 71 4.503 -7.462 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.852 -9.948 -8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.474 -9.902 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.751 -7.424 -7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.732 -8.483 -9.232 1.00 0.00 H new ATOM 1152 N ASP A 72 3.325 -12.770 -3.825 1.00 0.00 N ATOM 1153 CA ASP A 72 3.366 -13.922 -2.956 1.00 0.00 C ATOM 1154 C ASP A 72 4.673 -14.658 -3.178 1.00 0.00 C ATOM 1155 O ASP A 72 5.336 -14.453 -4.192 1.00 0.00 O ATOM 1156 CB ASP A 72 2.181 -14.849 -3.233 1.00 0.00 C ATOM 1157 CG ASP A 72 2.081 -15.974 -2.223 1.00 0.00 C ATOM 1158 OD1 ASP A 72 2.867 -16.939 -2.327 1.00 0.00 O ATOM 1159 OD2 ASP A 72 1.215 -15.893 -1.325 1.00 0.00 O ATOM 0 H ASP A 72 2.760 -12.890 -4.666 1.00 0.00 H new ATOM 0 HA ASP A 72 3.300 -13.595 -1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.258 -14.269 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.278 -15.270 -4.234 1.00 0.00 H new ATOM 1164 N LYS A 73 5.032 -15.502 -2.222 1.00 0.00 N ATOM 1165 CA LYS A 73 6.259 -16.286 -2.280 1.00 0.00 C ATOM 1166 C LYS A 73 6.582 -16.754 -3.699 1.00 0.00 C ATOM 1167 O LYS A 73 7.750 -16.902 -4.059 1.00 0.00 O ATOM 1168 CB LYS A 73 6.126 -17.485 -1.354 1.00 0.00 C ATOM 1169 CG LYS A 73 7.400 -17.816 -0.603 1.00 0.00 C ATOM 1170 CD LYS A 73 7.620 -19.319 -0.501 1.00 0.00 C ATOM 1171 CE LYS A 73 7.515 -19.805 0.935 1.00 0.00 C ATOM 1172 NZ LYS A 73 6.784 -21.098 1.032 1.00 0.00 N ATOM 0 H LYS A 73 4.479 -15.664 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 73 7.082 -15.648 -1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.330 -17.292 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.823 -18.353 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.250 -17.357 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.355 -17.386 0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.884 -19.837 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.603 -19.571 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.515 -19.921 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.004 -19.053 1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.600 -21.319 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.881 -21.025 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.360 -21.855 0.610 1.00 0.00 H new ATOM 1186 N GLU A 74 5.547 -16.968 -4.507 1.00 0.00 N ATOM 1187 CA GLU A 74 5.736 -17.398 -5.887 1.00 0.00 C ATOM 1188 C GLU A 74 6.220 -16.238 -6.762 1.00 0.00 C ATOM 1189 O GLU A 74 6.257 -16.351 -7.987 1.00 0.00 O ATOM 1190 CB GLU A 74 4.433 -17.966 -6.449 1.00 0.00 C ATOM 1191 CG GLU A 74 4.641 -19.053 -7.492 1.00 0.00 C ATOM 1192 CD GLU A 74 5.040 -20.381 -6.876 1.00 0.00 C ATOM 1193 OE1 GLU A 74 4.203 -20.984 -6.174 1.00 0.00 O ATOM 1194 OE2 GLU A 74 6.190 -20.814 -7.097 1.00 0.00 O ATOM 0 H GLU A 74 4.572 -16.851 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 74 6.498 -18.177 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.839 -18.370 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.855 -17.155 -6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.723 -19.183 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.412 -18.736 -8.194 1.00 0.00 H new ATOM 1201 N ASN A 75 6.592 -15.125 -6.128 1.00 0.00 N ATOM 1202 CA ASN A 75 7.074 -13.952 -6.845 1.00 0.00 C ATOM 1203 C ASN A 75 5.977 -13.339 -7.714 1.00 0.00 C ATOM 1204 O ASN A 75 6.206 -13.030 -8.883 1.00 0.00 O ATOM 1205 CB ASN A 75 8.283 -14.316 -7.708 1.00 0.00 C ATOM 1206 CG ASN A 75 9.179 -13.124 -7.981 1.00 0.00 C ATOM 1207 OD1 ASN A 75 9.762 -12.549 -7.063 1.00 0.00 O ATOM 1208 ND2 ASN A 75 9.290 -12.746 -9.248 1.00 0.00 N ATOM 0 H ASN A 75 6.567 -15.015 -5.114 1.00 0.00 H new ATOM 0 HA ASN A 75 7.373 -13.210 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.861 -15.094 -7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.938 -14.732 -8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.877 -11.949 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.788 -13.253 -9.977 1.00 0.00 H new ATOM 1215 N ASN A 76 4.785 -13.156 -7.141 1.00 0.00 N ATOM 1216 CA ASN A 76 3.670 -12.568 -7.891 1.00 0.00 C ATOM 1217 C ASN A 76 2.391 -12.500 -7.057 1.00 0.00 C ATOM 1218 O ASN A 76 2.106 -13.397 -6.262 1.00 0.00 O ATOM 1219 CB ASN A 76 3.405 -13.370 -9.167 1.00 0.00 C ATOM 1220 CG ASN A 76 3.248 -14.854 -8.895 1.00 0.00 C ATOM 1221 OD1 ASN A 76 2.313 -15.277 -8.217 1.00 0.00 O ATOM 1222 ND2 ASN A 76 4.167 -15.654 -9.426 1.00 0.00 N ATOM 0 H ASN A 76 4.567 -13.402 -6.175 1.00 0.00 H new ATOM 0 HA ASN A 76 3.959 -11.549 -8.149 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.502 -12.994 -9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.227 -13.217 -9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.113 -16.662 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.926 -15.260 -9.982 1.00 0.00 H new ATOM 1229 N SER A 77 1.613 -11.435 -7.261 1.00 0.00 N ATOM 1230 CA SER A 77 0.349 -11.251 -6.549 1.00 0.00 C ATOM 1231 C SER A 77 -0.314 -9.925 -6.921 1.00 0.00 C ATOM 1232 O SER A 77 -1.518 -9.881 -7.177 1.00 0.00 O ATOM 1233 CB SER A 77 0.559 -11.325 -5.033 1.00 0.00 C ATOM 1234 OG SER A 77 -0.213 -12.367 -4.462 1.00 0.00 O ATOM 0 H SER A 77 1.838 -10.686 -7.915 1.00 0.00 H new ATOM 0 HA SER A 77 -0.314 -12.061 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.615 -11.489 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.285 -10.373 -4.578 1.00 0.00 H new ATOM 0 HG SER A 77 -0.067 -13.195 -4.965 1.00 0.00 H new ATOM 1240 N GLY A 78 0.466 -8.844 -6.948 1.00 0.00 N ATOM 1241 CA GLY A 78 -0.095 -7.546 -7.291 1.00 0.00 C ATOM 1242 C GLY A 78 0.776 -6.379 -6.858 1.00 0.00 C ATOM 1243 O GLY A 78 1.228 -6.320 -5.715 1.00 0.00 O ATOM 0 H GLY A 78 1.465 -8.843 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.245 -7.497 -8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.077 -7.449 -6.827 1.00 0.00 H new ATOM 1247 N LEU A 79 1.002 -5.442 -7.779 1.00 0.00 N ATOM 1248 CA LEU A 79 1.815 -4.262 -7.496 1.00 0.00 C ATOM 1249 C LEU A 79 1.275 -3.040 -8.239 1.00 0.00 C ATOM 1250 O LEU A 79 1.075 -3.089 -9.453 1.00 0.00 O ATOM 1251 CB LEU A 79 3.266 -4.510 -7.898 1.00 0.00 C ATOM 1252 CG LEU A 79 3.485 -4.837 -9.374 1.00 0.00 C ATOM 1253 CD1 LEU A 79 3.899 -3.587 -10.133 1.00 0.00 C ATOM 1254 CD2 LEU A 79 4.534 -5.928 -9.522 1.00 0.00 C ATOM 0 H LEU A 79 0.632 -5.479 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 79 1.768 -4.068 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.852 -3.626 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.657 -5.332 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 79 2.549 -5.202 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.052 -3.833 -11.184 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.116 -2.833 -10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.826 -3.197 -9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.680 -6.151 -10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.475 -5.589 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.200 -6.827 -9.004 1.00 0.00 H new ATOM 1266 N ILE A 80 1.044 -1.946 -7.510 1.00 0.00 N ATOM 1267 CA ILE A 80 0.525 -0.722 -8.126 1.00 0.00 C ATOM 1268 C ILE A 80 0.828 0.517 -7.286 1.00 0.00 C ATOM 1269 O ILE A 80 1.515 0.433 -6.275 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.996 -0.794 -8.358 1.00 0.00 C ATOM 1271 CG1 ILE A 80 -1.752 -0.825 -7.023 1.00 0.00 C ATOM 1272 CG2 ILE A 80 -1.358 -2.002 -9.209 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -1.362 -1.982 -6.128 1.00 0.00 C ATOM 0 H ILE A 80 1.205 -1.881 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 80 1.034 -0.639 -9.086 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.297 0.104 -8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.572 0.110 -6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.822 -0.877 -7.223 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.437 -2.031 -9.359 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.859 -1.929 -10.175 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.037 -2.913 -8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.938 -1.937 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.568 -2.923 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.299 -1.920 -5.896 1.00 0.00 H new ATOM 1285 N LYS A 81 0.310 1.667 -7.720 1.00 0.00 N ATOM 1286 CA LYS A 81 0.530 2.930 -7.011 1.00 0.00 C ATOM 1287 C LYS A 81 -0.709 3.371 -6.229 1.00 0.00 C ATOM 1288 O LYS A 81 -1.638 3.943 -6.796 1.00 0.00 O ATOM 1289 CB LYS A 81 0.922 4.029 -8.000 1.00 0.00 C ATOM 1290 CG LYS A 81 -0.128 4.290 -9.074 1.00 0.00 C ATOM 1291 CD LYS A 81 -0.439 5.773 -9.210 1.00 0.00 C ATOM 1292 CE LYS A 81 -1.842 6.104 -8.724 1.00 0.00 C ATOM 1293 NZ LYS A 81 -1.821 6.964 -7.509 1.00 0.00 N ATOM 0 H LYS A 81 -0.265 1.751 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 81 1.339 2.764 -6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.104 4.952 -7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.861 3.755 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.226 3.903 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.041 3.748 -8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.289 6.351 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.336 6.072 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.391 6.611 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.378 5.180 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.796 7.167 -7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.320 6.471 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.332 7.857 -7.724 1.00 0.00 H new ATOM 1307 N PRO A 82 -0.736 3.124 -4.909 1.00 0.00 N ATOM 1308 CA PRO A 82 -1.854 3.508 -4.057 1.00 0.00 C ATOM 1309 C PRO A 82 -1.674 4.905 -3.469 1.00 0.00 C ATOM 1310 O PRO A 82 -0.680 5.578 -3.740 1.00 0.00 O ATOM 1311 CB PRO A 82 -1.792 2.454 -2.957 1.00 0.00 C ATOM 1312 CG PRO A 82 -0.334 2.165 -2.797 1.00 0.00 C ATOM 1313 CD PRO A 82 0.324 2.454 -4.130 1.00 0.00 C ATOM 0 HA PRO A 82 -2.803 3.549 -4.592 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.228 2.823 -2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.346 1.557 -3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.098 2.785 -2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.176 1.126 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.199 3.093 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.660 1.539 -4.617 1.00 0.00 H new ATOM 1321 N PHE A 83 -2.631 5.329 -2.650 1.00 0.00 N ATOM 1322 CA PHE A 83 -2.564 6.635 -2.009 1.00 0.00 C ATOM 1323 C PHE A 83 -2.117 6.467 -0.567 1.00 0.00 C ATOM 1324 O PHE A 83 -2.754 5.756 0.210 1.00 0.00 O ATOM 1325 CB PHE A 83 -3.918 7.343 -2.073 1.00 0.00 C ATOM 1326 CG PHE A 83 -4.023 8.339 -3.194 1.00 0.00 C ATOM 1327 CD1 PHE A 83 -2.969 9.195 -3.480 1.00 0.00 C ATOM 1328 CD2 PHE A 83 -5.175 8.420 -3.960 1.00 0.00 C ATOM 1329 CE1 PHE A 83 -3.064 10.110 -4.512 1.00 0.00 C ATOM 1330 CE2 PHE A 83 -5.275 9.334 -4.991 1.00 0.00 C ATOM 1331 CZ PHE A 83 -4.218 10.180 -5.268 1.00 0.00 C ATOM 0 H PHE A 83 -3.462 4.786 -2.415 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.840 7.253 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.704 6.596 -2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.097 7.853 -1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.065 9.146 -2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.004 7.761 -3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.236 10.770 -4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.179 9.387 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.294 10.895 -6.074 1.00 0.00 H new ATOM 1341 N VAL A 84 -1.000 7.089 -0.227 1.00 0.00 N ATOM 1342 CA VAL A 84 -0.442 6.974 1.093 1.00 0.00 C ATOM 1343 C VAL A 84 -0.691 8.214 1.937 1.00 0.00 C ATOM 1344 O VAL A 84 -0.149 9.290 1.666 1.00 0.00 O ATOM 1345 CB VAL A 84 1.069 6.721 0.989 1.00 0.00 C ATOM 1346 CG1 VAL A 84 1.620 6.200 2.288 1.00 0.00 C ATOM 1347 CG2 VAL A 84 1.378 5.752 -0.145 1.00 0.00 C ATOM 0 H VAL A 84 -0.464 7.682 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.937 6.137 1.586 1.00 0.00 H new ATOM 0 HB VAL A 84 1.552 7.673 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.692 6.029 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.442 6.930 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.126 5.262 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.454 5.588 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.875 4.803 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.026 6.171 -1.088 1.00 0.00 H new ATOM 1357 N ILE A 85 -1.499 8.039 2.977 1.00 0.00 N ATOM 1358 CA ILE A 85 -1.823 9.115 3.902 1.00 0.00 C ATOM 1359 C ILE A 85 -1.422 8.712 5.318 1.00 0.00 C ATOM 1360 O ILE A 85 -1.560 7.547 5.694 1.00 0.00 O ATOM 1361 CB ILE A 85 -3.325 9.457 3.872 1.00 0.00 C ATOM 1362 CG1 ILE A 85 -3.807 9.596 2.425 1.00 0.00 C ATOM 1363 CG2 ILE A 85 -3.598 10.731 4.657 1.00 0.00 C ATOM 1364 CD1 ILE A 85 -5.245 10.052 2.300 1.00 0.00 C ATOM 0 H ILE A 85 -1.946 7.150 3.201 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.268 10.001 3.593 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.878 8.644 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.164 10.306 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.695 8.636 1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.664 10.957 4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.287 10.594 5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.039 11.557 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.513 10.127 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.899 9.331 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.360 11.027 2.774 1.00 0.00 H new ATOM 1376 N PRO A 86 -0.914 9.654 6.127 1.00 0.00 N ATOM 1377 CA PRO A 86 -0.495 9.360 7.489 1.00 0.00 C ATOM 1378 C PRO A 86 -1.643 9.450 8.484 1.00 0.00 C ATOM 1379 O PRO A 86 -1.519 10.076 9.537 1.00 0.00 O ATOM 1380 CB PRO A 86 0.555 10.433 7.768 1.00 0.00 C ATOM 1381 CG PRO A 86 0.211 11.583 6.876 1.00 0.00 C ATOM 1382 CD PRO A 86 -0.702 11.069 5.786 1.00 0.00 C ATOM 0 HA PRO A 86 -0.120 8.342 7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.539 10.733 8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.558 10.062 7.558 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.280 12.373 7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.114 12.015 6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.643 11.618 5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.246 11.177 4.802 1.00 0.00 H new ATOM 1390 N ASN A 87 -2.761 8.816 8.148 1.00 0.00 N ATOM 1391 CA ASN A 87 -3.927 8.822 9.021 1.00 0.00 C ATOM 1392 C ASN A 87 -4.685 7.499 8.958 1.00 0.00 C ATOM 1393 O ASN A 87 -5.817 7.403 9.434 1.00 0.00 O ATOM 1394 CB ASN A 87 -4.860 9.976 8.655 1.00 0.00 C ATOM 1395 CG ASN A 87 -5.299 9.929 7.204 1.00 0.00 C ATOM 1396 OD1 ASN A 87 -5.081 8.937 6.510 1.00 0.00 O ATOM 1397 ND2 ASN A 87 -5.919 11.008 6.738 1.00 0.00 N ATOM 0 H ASN A 87 -2.884 8.294 7.281 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.571 8.957 10.042 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.739 9.946 9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.355 10.923 8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.235 11.036 5.769 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.079 11.808 7.350 1.00 0.00 H new ATOM 1404 N LEU A 88 -4.059 6.477 8.380 1.00 0.00 N ATOM 1405 CA LEU A 88 -4.682 5.163 8.273 1.00 0.00 C ATOM 1406 C LEU A 88 -5.898 5.194 7.353 1.00 0.00 C ATOM 1407 O LEU A 88 -7.037 5.207 7.820 1.00 0.00 O ATOM 1408 CB LEU A 88 -5.097 4.656 9.656 1.00 0.00 C ATOM 1409 CG LEU A 88 -5.054 3.135 9.828 1.00 0.00 C ATOM 1410 CD1 LEU A 88 -3.619 2.634 9.791 1.00 0.00 C ATOM 1411 CD2 LEU A 88 -5.732 2.726 11.126 1.00 0.00 C ATOM 0 H LEU A 88 -3.123 6.534 7.980 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.945 4.485 7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.446 5.109 10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.110 5.002 9.864 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.597 2.679 9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.608 1.551 9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.167 2.894 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.051 3.097 10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.692 1.642 11.231 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.218 3.192 11.967 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.772 3.051 11.111 1.00 0.00 H new ATOM 1423 N PRO A 89 -5.676 5.188 6.028 1.00 0.00 N ATOM 1424 CA PRO A 89 -6.762 5.199 5.044 1.00 0.00 C ATOM 1425 C PRO A 89 -7.545 3.887 5.030 1.00 0.00 C ATOM 1426 O PRO A 89 -8.368 3.664 4.143 1.00 0.00 O ATOM 1427 CB PRO A 89 -6.043 5.403 3.700 1.00 0.00 C ATOM 1428 CG PRO A 89 -4.644 5.792 4.051 1.00 0.00 C ATOM 1429 CD PRO A 89 -4.361 5.163 5.380 1.00 0.00 C ATOM 0 HA PRO A 89 -7.496 5.973 5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.059 4.491 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.529 6.179 3.108 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.941 5.441 3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.542 6.876 4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.979 4.147 5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.619 5.726 5.946 1.00 0.00 H new ATOM 1437 N VAL A 90 -7.268 3.019 6.014 1.00 0.00 N ATOM 1438 CA VAL A 90 -7.916 1.718 6.141 1.00 0.00 C ATOM 1439 C VAL A 90 -7.069 0.634 5.490 1.00 0.00 C ATOM 1440 O VAL A 90 -7.355 -0.556 5.621 1.00 0.00 O ATOM 1441 CB VAL A 90 -9.328 1.705 5.535 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -10.019 0.373 5.794 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -10.152 2.864 6.083 1.00 0.00 C ATOM 0 H VAL A 90 -6.583 3.207 6.746 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.012 1.517 7.208 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.240 1.829 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.017 0.389 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.438 -0.432 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.098 0.207 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.149 2.841 5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.230 2.775 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.667 3.807 5.831 1.00 0.00 H new ATOM 1453 N ASN A 91 -6.012 1.052 4.794 1.00 0.00 N ATOM 1454 CA ASN A 91 -5.112 0.116 4.133 1.00 0.00 C ATOM 1455 C ASN A 91 -5.886 -0.808 3.203 1.00 0.00 C ATOM 1456 O ASN A 91 -6.288 -1.902 3.595 1.00 0.00 O ATOM 1457 CB ASN A 91 -4.344 -0.717 5.166 1.00 0.00 C ATOM 1458 CG ASN A 91 -3.961 0.074 6.406 1.00 0.00 C ATOM 1459 OD1 ASN A 91 -4.267 1.260 6.525 1.00 0.00 O ATOM 1460 ND2 ASN A 91 -3.286 -0.586 7.340 1.00 0.00 N ATOM 0 H ASN A 91 -5.761 2.033 4.675 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.400 0.695 3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.954 -1.571 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.441 -1.115 4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.001 -0.110 8.196 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.052 -1.569 7.202 1.00 0.00 H new ATOM 1467 N LEU A 92 -6.098 -0.361 1.972 1.00 0.00 N ATOM 1468 CA LEU A 92 -6.829 -1.153 0.998 1.00 0.00 C ATOM 1469 C LEU A 92 -6.026 -1.314 -0.277 1.00 0.00 C ATOM 1470 O LEU A 92 -5.381 -0.378 -0.742 1.00 0.00 O ATOM 1471 CB LEU A 92 -8.168 -0.486 0.651 1.00 0.00 C ATOM 1472 CG LEU A 92 -9.373 -0.902 1.507 1.00 0.00 C ATOM 1473 CD1 LEU A 92 -10.157 -2.004 0.810 1.00 0.00 C ATOM 1474 CD2 LEU A 92 -8.940 -1.349 2.898 1.00 0.00 C ATOM 0 H LEU A 92 -5.774 0.543 1.627 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.010 -2.132 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.045 0.594 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.398 -0.701 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.018 -0.032 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.009 -2.290 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.513 -1.643 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.512 -2.869 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.817 -1.636 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.266 -2.201 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.426 -0.529 3.400 1.00 0.00 H new ATOM 1486 N TRP A 93 -6.103 -2.493 -0.864 1.00 0.00 N ATOM 1487 CA TRP A 93 -5.421 -2.745 -2.114 1.00 0.00 C ATOM 1488 C TRP A 93 -6.416 -2.533 -3.246 1.00 0.00 C ATOM 1489 O TRP A 93 -7.561 -2.155 -2.998 1.00 0.00 O ATOM 1490 CB TRP A 93 -4.829 -4.155 -2.140 1.00 0.00 C ATOM 1491 CG TRP A 93 -3.413 -4.190 -2.628 1.00 0.00 C ATOM 1492 CD1 TRP A 93 -2.993 -4.525 -3.881 1.00 0.00 C ATOM 1493 CD2 TRP A 93 -2.234 -3.875 -1.879 1.00 0.00 C ATOM 1494 NE1 TRP A 93 -1.623 -4.448 -3.956 1.00 0.00 N ATOM 1495 CE2 TRP A 93 -1.137 -4.048 -2.744 1.00 0.00 C ATOM 1496 CE3 TRP A 93 -1.996 -3.466 -0.563 1.00 0.00 C ATOM 1497 CZ2 TRP A 93 0.170 -3.826 -2.340 1.00 0.00 C ATOM 1498 CZ3 TRP A 93 -0.691 -3.244 -0.164 1.00 0.00 C ATOM 1499 CH2 TRP A 93 0.379 -3.424 -1.050 1.00 0.00 C ATOM 0 H TRP A 93 -6.629 -3.286 -0.496 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.585 -2.056 -2.231 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.872 -4.579 -1.137 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -5.443 -4.789 -2.780 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -3.642 -4.809 -4.696 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.061 -4.656 -4.782 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.815 -3.326 0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 0.996 -3.966 -3.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.493 -2.926 0.849 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.387 -3.242 -0.708 1.00 0.00 H new ATOM 1510 N GLY A 94 -5.993 -2.744 -4.479 1.00 0.00 N ATOM 1511 CA GLY A 94 -6.893 -2.528 -5.596 1.00 0.00 C ATOM 1512 C GLY A 94 -7.506 -3.808 -6.140 1.00 0.00 C ATOM 1513 O GLY A 94 -6.924 -4.885 -6.029 1.00 0.00 O ATOM 0 H GLY A 94 -5.055 -3.057 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.693 -1.857 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.351 -2.026 -6.397 1.00 0.00 H new ATOM 1517 N ARG A 95 -8.702 -3.679 -6.712 1.00 0.00 N ATOM 1518 CA ARG A 95 -9.442 -4.829 -7.250 1.00 0.00 C ATOM 1519 C ARG A 95 -8.582 -5.713 -8.150 1.00 0.00 C ATOM 1520 O ARG A 95 -8.660 -6.937 -8.072 1.00 0.00 O ATOM 1521 CB ARG A 95 -10.680 -4.377 -8.045 1.00 0.00 C ATOM 1522 CG ARG A 95 -11.118 -2.939 -7.802 1.00 0.00 C ATOM 1523 CD ARG A 95 -12.438 -2.636 -8.497 1.00 0.00 C ATOM 1524 NE ARG A 95 -13.585 -2.849 -7.619 1.00 0.00 N ATOM 1525 CZ ARG A 95 -14.799 -2.354 -7.851 1.00 0.00 C ATOM 1526 NH1 ARG A 95 -15.026 -1.617 -8.931 1.00 0.00 N ATOM 1527 NH2 ARG A 95 -15.788 -2.597 -7.002 1.00 0.00 N ATOM 0 H ARG A 95 -9.185 -2.787 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.750 -5.412 -6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.475 -4.503 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.511 -5.039 -7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.220 -2.764 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.349 -2.257 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.435 -1.603 -8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.536 -3.268 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 95 -13.448 -3.410 -6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.269 -1.428 -9.588 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.958 -1.240 -9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.619 -3.163 -6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.718 -2.218 -7.180 1.00 0.00 H new ATOM 1541 N ASP A 96 -7.785 -5.106 -9.015 1.00 0.00 N ATOM 1542 CA ASP A 96 -6.941 -5.871 -9.929 1.00 0.00 C ATOM 1543 C ASP A 96 -6.077 -6.891 -9.185 1.00 0.00 C ATOM 1544 O ASP A 96 -6.008 -8.066 -9.568 1.00 0.00 O ATOM 1545 CB ASP A 96 -6.046 -4.926 -10.733 1.00 0.00 C ATOM 1546 CG ASP A 96 -5.847 -5.395 -12.162 1.00 0.00 C ATOM 1547 OD1 ASP A 96 -6.827 -5.877 -12.769 1.00 0.00 O ATOM 1548 OD2 ASP A 96 -4.714 -5.278 -12.673 1.00 0.00 O ATOM 0 H ASP A 96 -7.702 -4.093 -9.106 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.599 -6.418 -10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.487 -3.929 -10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.076 -4.843 -10.242 1.00 0.00 H new ATOM 1553 N LEU A 97 -5.411 -6.440 -8.129 1.00 0.00 N ATOM 1554 CA LEU A 97 -4.539 -7.317 -7.356 1.00 0.00 C ATOM 1555 C LEU A 97 -5.325 -8.227 -6.426 1.00 0.00 C ATOM 1556 O LEU A 97 -4.918 -9.355 -6.196 1.00 0.00 O ATOM 1557 CB LEU A 97 -3.501 -6.514 -6.570 1.00 0.00 C ATOM 1558 CG LEU A 97 -2.643 -5.567 -7.412 1.00 0.00 C ATOM 1559 CD1 LEU A 97 -2.275 -6.204 -8.746 1.00 0.00 C ATOM 1560 CD2 LEU A 97 -3.377 -4.261 -7.636 1.00 0.00 C ATOM 0 H LEU A 97 -5.457 -5.479 -7.790 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.015 -7.951 -8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.017 -5.931 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.843 -7.210 -6.049 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.720 -5.366 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.665 -5.510 -9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.712 -7.120 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.184 -6.438 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.758 -3.594 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.314 -4.455 -8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.588 -3.793 -6.675 1.00 0.00 H new ATOM 1572 N LEU A 98 -6.455 -7.759 -5.902 1.00 0.00 N ATOM 1573 CA LEU A 98 -7.258 -8.603 -5.022 1.00 0.00 C ATOM 1574 C LEU A 98 -7.894 -9.724 -5.833 1.00 0.00 C ATOM 1575 O LEU A 98 -8.188 -10.797 -5.308 1.00 0.00 O ATOM 1576 CB LEU A 98 -8.341 -7.799 -4.294 1.00 0.00 C ATOM 1577 CG LEU A 98 -7.855 -6.957 -3.107 1.00 0.00 C ATOM 1578 CD1 LEU A 98 -6.721 -7.642 -2.362 1.00 0.00 C ATOM 1579 CD2 LEU A 98 -7.419 -5.593 -3.585 1.00 0.00 C ATOM 0 H LEU A 98 -6.828 -6.824 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.598 -9.024 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.822 -7.137 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.104 -8.491 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.687 -6.846 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.403 -7.016 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.064 -8.605 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.882 -7.797 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.076 -5.002 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.607 -5.702 -4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.260 -5.089 -4.062 1.00 0.00 H new ATOM 1591 N SER A 99 -8.083 -9.468 -7.125 1.00 0.00 N ATOM 1592 CA SER A 99 -8.658 -10.455 -8.020 1.00 0.00 C ATOM 1593 C SER A 99 -7.672 -11.587 -8.235 1.00 0.00 C ATOM 1594 O SER A 99 -7.993 -12.753 -8.041 1.00 0.00 O ATOM 1595 CB SER A 99 -9.028 -9.815 -9.360 1.00 0.00 C ATOM 1596 OG SER A 99 -10.150 -10.457 -9.941 1.00 0.00 O ATOM 0 H SER A 99 -7.844 -8.582 -7.571 1.00 0.00 H new ATOM 0 HA SER A 99 -9.567 -10.852 -7.568 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.246 -8.757 -9.213 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.179 -9.874 -10.041 1.00 0.00 H new ATOM 0 HG SER A 99 -10.367 -10.028 -10.795 1.00 0.00 H new ATOM 1602 N GLN A 100 -6.460 -11.235 -8.623 1.00 0.00 N ATOM 1603 CA GLN A 100 -5.423 -12.231 -8.849 1.00 0.00 C ATOM 1604 C GLN A 100 -4.964 -12.853 -7.531 1.00 0.00 C ATOM 1605 O GLN A 100 -4.635 -14.038 -7.470 1.00 0.00 O ATOM 1606 CB GLN A 100 -4.234 -11.583 -9.545 1.00 0.00 C ATOM 1607 CG GLN A 100 -4.453 -11.338 -11.029 1.00 0.00 C ATOM 1608 CD GLN A 100 -3.876 -10.014 -11.489 1.00 0.00 C ATOM 1609 OE1 GLN A 100 -4.548 -9.229 -12.158 1.00 0.00 O ATOM 1610 NE2 GLN A 100 -2.623 -9.759 -11.132 1.00 0.00 N ATOM 0 H GLN A 100 -6.168 -10.272 -8.788 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.837 -13.019 -9.478 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.013 -10.633 -9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.358 -12.219 -9.416 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.997 -12.147 -11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.521 -11.360 -11.244 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.103 -10.438 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.181 -8.884 -11.413 1.00 0.00 H new ATOM 1619 N MET A 101 -4.912 -12.030 -6.487 1.00 0.00 N ATOM 1620 CA MET A 101 -4.458 -12.470 -5.171 1.00 0.00 C ATOM 1621 C MET A 101 -5.483 -13.325 -4.421 1.00 0.00 C ATOM 1622 O MET A 101 -5.101 -14.100 -3.543 1.00 0.00 O ATOM 1623 CB MET A 101 -4.096 -11.257 -4.311 1.00 0.00 C ATOM 1624 CG MET A 101 -2.761 -10.626 -4.670 1.00 0.00 C ATOM 1625 SD MET A 101 -1.977 -9.817 -3.261 1.00 0.00 S ATOM 1626 CE MET A 101 -2.347 -8.099 -3.609 1.00 0.00 C ATOM 0 H MET A 101 -5.181 -11.047 -6.528 1.00 0.00 H new ATOM 0 HA MET A 101 -3.585 -13.098 -5.348 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.880 -10.506 -4.410 1.00 0.00 H new ATOM 0 HB3 MET A 101 -4.074 -11.559 -3.264 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.094 -11.394 -5.061 1.00 0.00 H new ATOM 0 HG3 MET A 101 -2.910 -9.897 -5.467 1.00 0.00 H new ATOM 0 HE1 MET A 101 -2.483 -7.559 -2.672 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.523 -7.655 -4.167 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.261 -8.036 -4.200 1.00 0.00 H new ATOM 1636 N LYS A 102 -6.775 -13.177 -4.716 1.00 0.00 N ATOM 1637 CA LYS A 102 -7.779 -13.952 -3.982 1.00 0.00 C ATOM 1638 C LYS A 102 -9.010 -14.342 -4.807 1.00 0.00 C ATOM 1639 O LYS A 102 -9.632 -15.368 -4.524 1.00 0.00 O ATOM 1640 CB LYS A 102 -8.226 -13.171 -2.746 1.00 0.00 C ATOM 1641 CG LYS A 102 -9.117 -13.972 -1.809 1.00 0.00 C ATOM 1642 CD LYS A 102 -8.337 -14.503 -0.615 1.00 0.00 C ATOM 1643 CE LYS A 102 -9.190 -15.423 0.242 1.00 0.00 C ATOM 1644 NZ LYS A 102 -9.677 -16.606 -0.524 1.00 0.00 N ATOM 0 H LYS A 102 -7.144 -12.551 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.290 -14.887 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.344 -12.837 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.760 -12.276 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.936 -13.344 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.563 -14.805 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.457 -15.042 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.981 -13.668 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.609 -15.761 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.043 -14.868 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.717 -16.612 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.326 -16.555 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.328 -17.477 -0.076 1.00 0.00 H new ATOM 1658 N ILE A 103 -9.391 -13.540 -5.796 1.00 0.00 N ATOM 1659 CA ILE A 103 -10.579 -13.865 -6.588 1.00 0.00 C ATOM 1660 C ILE A 103 -10.302 -14.984 -7.595 1.00 0.00 C ATOM 1661 O ILE A 103 -10.520 -16.158 -7.295 1.00 0.00 O ATOM 1662 CB ILE A 103 -11.152 -12.628 -7.318 1.00 0.00 C ATOM 1663 CG1 ILE A 103 -11.489 -11.529 -6.308 1.00 0.00 C ATOM 1664 CG2 ILE A 103 -12.386 -13.005 -8.125 1.00 0.00 C ATOM 1665 CD1 ILE A 103 -12.616 -11.896 -5.366 1.00 0.00 C ATOM 0 H ILE A 103 -8.911 -12.681 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 103 -11.328 -14.215 -5.878 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.396 -12.251 -8.007 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -10.598 -11.299 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.759 -10.621 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.774 -12.121 -8.631 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.120 -13.759 -8.865 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.149 -13.405 -7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.799 -11.070 -4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.520 -12.097 -5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.341 -12.785 -4.799 1.00 0.00 H new ATOM 1677 N MET A 104 -9.824 -14.625 -8.783 1.00 0.00 N ATOM 1678 CA MET A 104 -9.523 -15.613 -9.813 1.00 0.00 C ATOM 1679 C MET A 104 -8.607 -16.706 -9.268 1.00 0.00 C ATOM 1680 O MET A 104 -7.807 -16.462 -8.365 1.00 0.00 O ATOM 1681 CB MET A 104 -8.871 -14.940 -11.023 1.00 0.00 C ATOM 1682 CG MET A 104 -8.723 -15.859 -12.224 1.00 0.00 C ATOM 1683 SD MET A 104 -8.243 -14.974 -13.720 1.00 0.00 S ATOM 1684 CE MET A 104 -6.648 -14.324 -13.231 1.00 0.00 C ATOM 0 H MET A 104 -9.637 -13.660 -9.055 1.00 0.00 H new ATOM 0 HA MET A 104 -10.461 -16.072 -10.125 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.466 -14.073 -11.311 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.887 -14.570 -10.736 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.977 -16.622 -12.003 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.666 -16.376 -12.399 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.121 -13.952 -14.110 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.789 -13.509 -12.521 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.061 -15.114 -12.764 1.00 0.00 H new ATOM 1694 N MET A 105 -8.733 -17.909 -9.818 1.00 0.00 N ATOM 1695 CA MET A 105 -7.919 -19.037 -9.383 1.00 0.00 C ATOM 1696 C MET A 105 -6.439 -18.770 -9.634 1.00 0.00 C ATOM 1697 O MET A 105 -5.875 -19.224 -10.629 1.00 0.00 O ATOM 1698 CB MET A 105 -8.349 -20.313 -10.110 1.00 0.00 C ATOM 1699 CG MET A 105 -8.396 -20.168 -11.623 1.00 0.00 C ATOM 1700 SD MET A 105 -10.074 -19.972 -12.253 1.00 0.00 S ATOM 1701 CE MET A 105 -10.787 -21.557 -11.820 1.00 0.00 C ATOM 0 H MET A 105 -9.391 -18.128 -10.566 1.00 0.00 H new ATOM 0 HA MET A 105 -8.069 -19.169 -8.311 1.00 0.00 H new ATOM 0 HB2 MET A 105 -7.660 -21.117 -9.852 1.00 0.00 H new ATOM 0 HB3 MET A 105 -9.334 -20.610 -9.752 1.00 0.00 H new ATOM 0 HG2 MET A 105 -7.798 -19.306 -11.920 1.00 0.00 H new ATOM 0 HG3 MET A 105 -7.940 -21.045 -12.082 1.00 0.00 H new ATOM 0 HE1 MET A 105 -11.571 -21.811 -12.534 1.00 0.00 H new ATOM 0 HE2 MET A 105 -10.012 -22.323 -11.844 1.00 0.00 H new ATOM 0 HE3 MET A 105 -11.212 -21.503 -10.818 1.00 0.00 H new ATOM 1711 N ALA A 106 -5.814 -18.029 -8.724 1.00 0.00 N ATOM 1712 CA ALA A 106 -4.399 -17.699 -8.845 1.00 0.00 C ATOM 1713 C ALA A 106 -3.683 -17.865 -7.510 1.00 0.00 C ATOM 1714 O ALA A 106 -4.321 -18.009 -6.467 1.00 0.00 O ATOM 1715 CB ALA A 106 -4.233 -16.278 -9.364 1.00 0.00 C ATOM 0 H ALA A 106 -6.266 -17.646 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.947 -18.389 -9.558 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.172 -16.044 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.704 -16.191 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.704 -15.580 -8.671 1.00 0.00 H new ATOM 1721 N SER A 107 -2.354 -17.847 -7.550 1.00 0.00 N ATOM 1722 CA SER A 107 -1.552 -17.997 -6.339 1.00 0.00 C ATOM 1723 C SER A 107 -1.637 -16.743 -5.474 1.00 0.00 C ATOM 1724 O SER A 107 -1.517 -15.632 -6.030 1.00 0.00 O ATOM 1725 CB SER A 107 -0.094 -18.284 -6.702 1.00 0.00 C ATOM 1726 OG SER A 107 0.466 -17.217 -7.450 1.00 0.00 O ATOM 1727 OXT SER A 107 -1.822 -16.886 -4.248 1.00 0.00 O ATOM 0 H SER A 107 -1.810 -17.730 -8.405 1.00 0.00 H new ATOM 0 HA SER A 107 -1.949 -18.837 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.487 -18.439 -5.793 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.035 -19.207 -7.279 1.00 0.00 H new ATOM 0 HG SER A 107 0.003 -16.383 -7.227 1.00 0.00 H new TER 1733 SER A 107