USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 901 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 105 GLN : amide:sc= -0.992 X(o=-0.23,f=-0.25) USER MOD Set 1.2: A 108 THR OG1 : rot 77:sc= 0.757 USER MOD Set 2.1: A 90 SER OG : rot -96:sc= -3.01! USER MOD Set 2.2: A 92 ASN : amide:sc= -6.81! C(o=-9.8!,f=-23!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0842 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.181 K(o=-0.18,f=-1.2) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.0143 (180deg=-0.208) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -151:sc= -7.58! (180deg=-11!) USER MOD Single : A 24 SER OG : rot -21:sc= 0.682 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.0375 (180deg=-0.296) USER MOD Single : A 26 GLN : amide:sc= -6.12! C(o=-6.1!,f=-7.2!) USER MOD Single : A 28 HIS : no HE2:sc= 0.561 K(o=0.56,f=-2.1!) USER MOD Single : A 37 SER OG : rot -27:sc= 0.215 USER MOD Single : A 39 SER OG : rot 53:sc= 0.727 USER MOD Single : A 45 SER OG : rot 180:sc= -1.66! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -149:sc= -0.617 (180deg=-3.33!) USER MOD Single : A 52 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.047) USER MOD Single : A 55 GLN : amide:sc= -4.97! C(o=-5!,f=-4.1!) USER MOD Single : A 56 HIS : no HD1:sc= -0.96 K(o=-0.96,f=-5!) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0834) USER MOD Single : A 66 LYS NZ :NH3+ -140:sc= -5.12! (180deg=-10.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.0252 (180deg=-0.315) USER MOD Single : A 75 ASN : amide:sc= -4.22! C(o=-4.2!,f=-2.7!) USER MOD Single : A 76 SER OG : rot -101:sc= -0.486 USER MOD Single : A 78 ASN : amide:sc= -0.0867 K(o=-0.087,f=-0.66) USER MOD Single : A 83 TYR OH : rot 22:sc= 1.11 USER MOD Single : A 84 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-2.8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 110:sc= 0.74 USER MOD Single : A 88 SER OG : rot -132:sc= 0.25! USER MOD Single : A 93 GLN : amide:sc= -3.72! C(o=-3.7!,f=-1.7!) USER MOD Single : A 94 GLN : amide:sc= -1.67! C(o=-1.7!,f=-5.3!) USER MOD Single : A 102 GLN : amide:sc= -0.972 K(o=-0.97,f=-0.072) USER MOD Single : A 106 GLN : amide:sc=-0.00652 X(o=-0.0065,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -4.04! C(o=-4!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.086 10.086 6.329 1.00 0.00 N ATOM 2 CA GLY A 1 23.922 9.944 7.771 1.00 0.00 C ATOM 3 C GLY A 1 24.303 11.225 8.517 1.00 0.00 C ATOM 4 O GLY A 1 24.818 12.173 7.935 1.00 0.00 O ATOM 0 H1 GLY A 1 23.162 9.984 5.863 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.480 11.024 6.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.733 9.351 5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.887 9.687 7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.539 9.119 8.127 1.00 0.00 H new ATOM 10 N ILE A 2 24.018 11.202 9.834 1.00 0.00 N ATOM 11 CA ILE A 2 23.401 10.029 10.428 1.00 0.00 C ATOM 12 C ILE A 2 21.899 10.027 10.133 1.00 0.00 C ATOM 13 O ILE A 2 21.202 11.019 10.317 1.00 0.00 O ATOM 14 CB ILE A 2 23.634 10.045 11.940 1.00 0.00 C ATOM 15 CG1 ILE A 2 23.046 8.793 12.591 1.00 0.00 C ATOM 16 CG2 ILE A 2 23.044 11.310 12.565 1.00 0.00 C ATOM 17 CD1 ILE A 2 23.376 8.719 14.083 1.00 0.00 C ATOM 0 H ILE A 2 24.204 11.968 10.482 1.00 0.00 H new ATOM 0 HA ILE A 2 23.846 9.130 10.002 1.00 0.00 H new ATOM 0 HB ILE A 2 24.709 10.048 12.119 1.00 0.00 H new ATOM 0 HG12 ILE A 2 21.964 8.788 12.458 1.00 0.00 H new ATOM 0 HG13 ILE A 2 23.433 7.906 12.089 1.00 0.00 H new ATOM 0 HG21 ILE A 2 23.221 11.301 13.641 1.00 0.00 H new ATOM 0 HG22 ILE A 2 23.519 12.188 12.127 1.00 0.00 H new ATOM 0 HG23 ILE A 2 21.971 11.344 12.374 1.00 0.00 H new ATOM 0 HD11 ILE A 2 22.940 7.815 14.508 1.00 0.00 H new ATOM 0 HD12 ILE A 2 24.458 8.697 14.216 1.00 0.00 H new ATOM 0 HD13 ILE A 2 22.966 9.592 14.590 1.00 0.00 H new ATOM 29 N GLU A 3 21.455 8.848 9.661 1.00 0.00 N ATOM 30 CA GLU A 3 20.046 8.730 9.339 1.00 0.00 C ATOM 31 C GLU A 3 19.208 9.260 10.503 1.00 0.00 C ATOM 32 O GLU A 3 19.312 8.805 11.637 1.00 0.00 O ATOM 33 CB GLU A 3 19.700 7.268 9.056 1.00 0.00 C ATOM 34 CG GLU A 3 20.514 6.709 7.888 1.00 0.00 C ATOM 35 CD GLU A 3 20.240 7.528 6.625 1.00 0.00 C ATOM 36 OE1 GLU A 3 19.163 8.112 6.525 1.00 0.00 O ATOM 37 OE2 GLU A 3 21.112 7.577 5.758 1.00 0.00 O ATOM 0 H GLU A 3 22.023 8.015 9.505 1.00 0.00 H new ATOM 0 HA GLU A 3 19.826 9.319 8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.887 6.671 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.637 7.183 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 3 21.577 6.738 8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.253 5.664 7.718 1.00 0.00 H new ATOM 44 N MET A 4 18.377 10.254 10.142 1.00 0.00 N ATOM 45 CA MET A 4 17.547 10.855 11.168 1.00 0.00 C ATOM 46 C MET A 4 16.188 10.155 11.210 1.00 0.00 C ATOM 47 O MET A 4 15.270 10.474 10.464 1.00 0.00 O ATOM 48 CB MET A 4 17.369 12.345 10.873 1.00 0.00 C ATOM 49 CG MET A 4 16.572 13.056 11.966 1.00 0.00 C ATOM 50 SD MET A 4 17.414 12.959 13.555 1.00 0.00 S ATOM 51 CE MET A 4 16.516 14.273 14.394 1.00 0.00 C ATOM 0 H MET A 4 18.272 10.632 9.201 1.00 0.00 H new ATOM 0 HA MET A 4 18.028 10.741 12.139 1.00 0.00 H new ATOM 0 HB2 MET A 4 18.348 12.814 10.775 1.00 0.00 H new ATOM 0 HB3 MET A 4 16.860 12.467 9.917 1.00 0.00 H new ATOM 0 HG2 MET A 4 16.426 14.101 11.692 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.582 12.607 12.048 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.891 14.378 15.412 1.00 0.00 H new ATOM 0 HE2 MET A 4 16.657 15.211 13.857 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.454 14.028 14.422 1.00 0.00 H new ATOM 61 N LYS A 5 16.127 9.187 12.143 1.00 0.00 N ATOM 62 CA LYS A 5 14.888 8.449 12.299 1.00 0.00 C ATOM 63 C LYS A 5 14.541 7.736 10.983 1.00 0.00 C ATOM 64 O LYS A 5 14.612 8.315 9.906 1.00 0.00 O ATOM 65 CB LYS A 5 13.764 9.415 12.677 1.00 0.00 C ATOM 66 CG LYS A 5 12.431 8.691 12.872 1.00 0.00 C ATOM 67 CD LYS A 5 11.299 9.662 13.208 1.00 0.00 C ATOM 68 CE LYS A 5 9.963 8.940 13.382 1.00 0.00 C ATOM 69 NZ LYS A 5 8.876 9.855 13.709 1.00 0.00 N ATOM 0 H LYS A 5 16.888 8.916 12.766 1.00 0.00 H new ATOM 0 HA LYS A 5 15.005 7.705 13.087 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.030 9.940 13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.657 10.170 11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.180 8.141 11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.530 7.958 13.672 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.543 10.201 14.124 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.210 10.405 12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.720 8.405 12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.056 8.194 14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.991 9.319 13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.093 10.348 14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.767 10.552 12.945 1.00 0.00 H new ATOM 83 N PRO A 6 14.159 6.444 11.120 1.00 0.00 N ATOM 84 CA PRO A 6 13.763 5.626 9.981 1.00 0.00 C ATOM 85 C PRO A 6 12.371 6.028 9.488 1.00 0.00 C ATOM 86 O PRO A 6 11.390 5.972 10.219 1.00 0.00 O ATOM 87 CB PRO A 6 13.711 4.207 10.549 1.00 0.00 C ATOM 88 CG PRO A 6 13.454 4.393 12.047 1.00 0.00 C ATOM 89 CD PRO A 6 14.098 5.736 12.393 1.00 0.00 C ATOM 0 HA PRO A 6 14.445 5.731 9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.918 3.623 10.081 1.00 0.00 H new ATOM 0 HB3 PRO A 6 14.646 3.676 10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.386 4.398 12.267 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.895 3.582 12.627 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.506 6.284 13.125 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.091 5.602 12.822 1.00 0.00 H new ATOM 97 N HIS A 7 12.352 6.438 8.207 1.00 0.00 N ATOM 98 CA HIS A 7 11.075 6.867 7.671 1.00 0.00 C ATOM 99 C HIS A 7 10.113 5.669 7.616 1.00 0.00 C ATOM 100 O HIS A 7 10.462 4.603 7.124 1.00 0.00 O ATOM 101 CB HIS A 7 11.261 7.437 6.266 1.00 0.00 C ATOM 102 CG HIS A 7 9.934 7.936 5.748 1.00 0.00 C ATOM 103 ND1 HIS A 7 9.474 9.193 5.933 1.00 0.00 N ATOM 104 CD2 HIS A 7 8.977 7.217 5.012 1.00 0.00 C ATOM 105 CE1 HIS A 7 8.274 9.236 5.327 1.00 0.00 C ATOM 106 NE2 HIS A 7 7.947 8.058 4.763 1.00 0.00 N ATOM 0 H HIS A 7 13.150 6.477 7.573 1.00 0.00 H new ATOM 0 HA HIS A 7 10.660 7.641 8.317 1.00 0.00 H new ATOM 0 HB2 HIS A 7 11.986 8.251 6.285 1.00 0.00 H new ATOM 0 HB3 HIS A 7 11.659 6.671 5.600 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.050 6.185 4.703 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.646 10.114 5.296 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.092 7.842 4.250 1.00 0.00 H new ATOM 114 N PRO A 8 8.882 5.894 8.139 1.00 0.00 N ATOM 115 CA PRO A 8 7.822 4.893 8.111 1.00 0.00 C ATOM 116 C PRO A 8 7.658 4.187 6.748 1.00 0.00 C ATOM 117 O PRO A 8 8.585 3.578 6.230 1.00 0.00 O ATOM 118 CB PRO A 8 6.574 5.683 8.536 1.00 0.00 C ATOM 119 CG PRO A 8 7.106 6.853 9.363 1.00 0.00 C ATOM 120 CD PRO A 8 8.492 7.141 8.783 1.00 0.00 C ATOM 0 HA PRO A 8 8.038 4.055 8.773 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.016 6.035 7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.895 5.063 9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.455 7.723 9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.165 6.596 10.421 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.461 7.964 8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.199 7.423 9.564 1.00 0.00 H new ATOM 128 N TRP A 9 6.429 4.300 6.207 1.00 0.00 N ATOM 129 CA TRP A 9 6.151 3.669 4.920 1.00 0.00 C ATOM 130 C TRP A 9 5.132 4.474 4.086 1.00 0.00 C ATOM 131 O TRP A 9 4.436 3.928 3.238 1.00 0.00 O ATOM 132 CB TRP A 9 5.705 2.199 5.067 1.00 0.00 C ATOM 133 CG TRP A 9 4.758 1.959 6.229 1.00 0.00 C ATOM 134 CD1 TRP A 9 5.036 1.133 7.325 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.439 2.503 6.446 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.992 1.132 8.191 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.977 1.950 7.717 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.607 3.386 5.715 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.701 2.292 8.225 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.305 3.738 6.227 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.852 3.191 7.483 1.00 0.00 C ATOM 0 H TRP A 9 5.647 4.803 6.627 1.00 0.00 H new ATOM 0 HA TRP A 9 7.096 3.668 4.377 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.220 1.882 4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.588 1.572 5.194 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.951 0.576 7.461 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.958 0.606 9.064 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.947 3.795 4.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.364 1.881 9.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.670 4.411 5.670 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.122 3.455 7.867 1.00 0.00 H new ATOM 152 N PHE A 10 5.103 5.796 4.360 1.00 0.00 N ATOM 153 CA PHE A 10 4.228 6.643 3.572 1.00 0.00 C ATOM 154 C PHE A 10 4.988 7.174 2.355 1.00 0.00 C ATOM 155 O PHE A 10 5.882 8.005 2.464 1.00 0.00 O ATOM 156 CB PHE A 10 3.742 7.825 4.413 1.00 0.00 C ATOM 157 CG PHE A 10 2.968 7.376 5.617 1.00 0.00 C ATOM 158 CD1 PHE A 10 1.549 7.144 5.520 1.00 0.00 C ATOM 159 CD2 PHE A 10 3.634 7.182 6.878 1.00 0.00 C ATOM 160 CE1 PHE A 10 0.803 6.723 6.676 1.00 0.00 C ATOM 161 CE2 PHE A 10 2.891 6.758 8.035 1.00 0.00 C ATOM 162 CZ PHE A 10 1.475 6.529 7.933 1.00 0.00 C ATOM 0 H PHE A 10 5.648 6.266 5.083 1.00 0.00 H new ATOM 0 HA PHE A 10 3.370 6.055 3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.598 8.419 4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.116 8.473 3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.044 7.287 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.697 7.356 6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.261 6.553 6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.396 6.612 8.978 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.916 6.211 8.801 1.00 0.00 H new ATOM 172 N PHE A 11 4.556 6.654 1.193 1.00 0.00 N ATOM 173 CA PHE A 11 5.124 7.168 -0.036 1.00 0.00 C ATOM 174 C PHE A 11 4.201 8.264 -0.575 1.00 0.00 C ATOM 175 O PHE A 11 3.171 8.011 -1.189 1.00 0.00 O ATOM 176 CB PHE A 11 5.308 6.024 -1.038 1.00 0.00 C ATOM 177 CG PHE A 11 6.435 5.121 -0.625 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.378 4.398 0.621 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.589 4.977 -1.474 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.465 3.540 1.014 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.678 4.119 -1.085 1.00 0.00 C ATOM 182 CZ PHE A 11 8.614 3.401 0.160 1.00 0.00 C ATOM 0 H PHE A 11 3.855 5.920 1.091 1.00 0.00 H new ATOM 0 HA PHE A 11 6.108 7.602 0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.385 5.449 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.509 6.432 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.515 4.501 1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.638 5.516 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.418 3.001 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.541 4.015 -1.726 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.430 2.757 0.454 1.00 0.00 H new ATOM 192 N GLY A 12 4.644 9.496 -0.271 1.00 0.00 N ATOM 193 CA GLY A 12 3.812 10.645 -0.572 1.00 0.00 C ATOM 194 C GLY A 12 3.716 10.892 -2.078 1.00 0.00 C ATOM 195 O GLY A 12 4.682 10.762 -2.819 1.00 0.00 O ATOM 0 H GLY A 12 5.541 9.706 0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.813 10.489 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.221 11.529 -0.083 1.00 0.00 H new ATOM 199 N LYS A 13 2.475 11.261 -2.451 1.00 0.00 N ATOM 200 CA LYS A 13 2.160 11.615 -3.819 1.00 0.00 C ATOM 201 C LYS A 13 3.087 10.904 -4.809 1.00 0.00 C ATOM 202 O LYS A 13 3.652 11.505 -5.715 1.00 0.00 O ATOM 203 CB LYS A 13 2.250 13.133 -3.965 1.00 0.00 C ATOM 204 CG LYS A 13 1.734 13.593 -5.322 1.00 0.00 C ATOM 205 CD LYS A 13 1.702 15.116 -5.438 1.00 0.00 C ATOM 206 CE LYS A 13 1.097 15.565 -6.767 1.00 0.00 C ATOM 207 NZ LYS A 13 -0.311 15.204 -6.884 1.00 0.00 N ATOM 0 H LYS A 13 1.683 11.317 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 13 1.147 11.288 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.673 13.611 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.285 13.451 -3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.368 13.183 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.731 13.196 -5.482 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.122 15.532 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.714 15.510 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.202 16.645 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.655 15.115 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.738 15.724 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.394 14.182 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.806 15.449 -6.003 1.00 0.00 H new ATOM 221 N ILE A 14 3.205 9.586 -4.572 1.00 0.00 N ATOM 222 CA ILE A 14 4.030 8.819 -5.482 1.00 0.00 C ATOM 223 C ILE A 14 3.221 8.513 -6.752 1.00 0.00 C ATOM 224 O ILE A 14 2.133 7.954 -6.687 1.00 0.00 O ATOM 225 CB ILE A 14 4.458 7.523 -4.793 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.587 6.843 -5.564 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.269 6.582 -4.612 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.868 7.671 -5.501 1.00 0.00 C ATOM 0 H ILE A 14 2.768 9.069 -3.809 1.00 0.00 H new ATOM 0 HA ILE A 14 4.921 9.383 -5.758 1.00 0.00 H new ATOM 0 HB ILE A 14 4.836 7.776 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.770 5.852 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.290 6.704 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.600 5.668 -4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.510 7.069 -4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.847 6.337 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.656 7.165 -6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.688 8.653 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.175 7.787 -4.462 1.00 0.00 H new ATOM 240 N PRO A 15 3.792 8.909 -7.915 1.00 0.00 N ATOM 241 CA PRO A 15 3.145 8.682 -9.199 1.00 0.00 C ATOM 242 C PRO A 15 2.622 7.254 -9.355 1.00 0.00 C ATOM 243 O PRO A 15 3.357 6.282 -9.251 1.00 0.00 O ATOM 244 CB PRO A 15 4.238 8.977 -10.226 1.00 0.00 C ATOM 245 CG PRO A 15 5.208 9.920 -9.508 1.00 0.00 C ATOM 246 CD PRO A 15 5.087 9.566 -8.024 1.00 0.00 C ATOM 0 HA PRO A 15 2.264 9.313 -9.316 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.739 8.063 -10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.824 9.442 -11.121 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.229 9.781 -9.864 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.948 10.963 -9.686 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.895 8.908 -7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.135 10.457 -7.397 1.00 0.00 H new ATOM 254 N ARG A 16 1.301 7.204 -9.600 1.00 0.00 N ATOM 255 CA ARG A 16 0.637 5.915 -9.697 1.00 0.00 C ATOM 256 C ARG A 16 1.539 4.901 -10.415 1.00 0.00 C ATOM 257 O ARG A 16 1.669 3.750 -10.015 1.00 0.00 O ATOM 258 CB ARG A 16 -0.684 6.102 -10.449 1.00 0.00 C ATOM 259 CG ARG A 16 -1.711 5.002 -10.164 1.00 0.00 C ATOM 260 CD ARG A 16 -1.266 3.620 -10.641 1.00 0.00 C ATOM 261 NE ARG A 16 -2.360 2.678 -10.480 1.00 0.00 N ATOM 262 CZ ARG A 16 -2.091 1.368 -10.326 1.00 0.00 C ATOM 263 NH1 ARG A 16 -0.834 0.934 -10.313 1.00 0.00 N ATOM 264 NH2 ARG A 16 -3.090 0.501 -10.188 1.00 0.00 N ATOM 0 H ARG A 16 0.699 8.017 -9.729 1.00 0.00 H new ATOM 0 HA ARG A 16 0.434 5.525 -8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.113 7.067 -10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.482 6.131 -11.520 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.904 4.964 -9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.653 5.260 -10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.961 3.665 -11.687 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.399 3.288 -10.070 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.326 3.007 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.065 1.595 -10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.639 -0.060 -10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.056 0.830 -10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.891 -0.492 -10.071 1.00 0.00 H new ATOM 278 N ALA A 17 2.164 5.418 -11.490 1.00 0.00 N ATOM 279 CA ALA A 17 3.066 4.569 -12.244 1.00 0.00 C ATOM 280 C ALA A 17 4.263 4.174 -11.373 1.00 0.00 C ATOM 281 O ALA A 17 4.536 3.003 -11.143 1.00 0.00 O ATOM 282 CB ALA A 17 3.548 5.314 -13.487 1.00 0.00 C ATOM 0 H ALA A 17 2.061 6.373 -11.833 1.00 0.00 H new ATOM 0 HA ALA A 17 2.539 3.665 -12.548 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.226 4.676 -14.054 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.692 5.576 -14.109 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.071 6.222 -13.187 1.00 0.00 H new ATOM 288 N LYS A 18 4.954 5.234 -10.916 1.00 0.00 N ATOM 289 CA LYS A 18 6.130 4.998 -10.097 1.00 0.00 C ATOM 290 C LYS A 18 5.849 3.891 -9.079 1.00 0.00 C ATOM 291 O LYS A 18 6.591 2.924 -8.953 1.00 0.00 O ATOM 292 CB LYS A 18 6.521 6.287 -9.380 1.00 0.00 C ATOM 293 CG LYS A 18 7.823 6.116 -8.600 1.00 0.00 C ATOM 294 CD LYS A 18 9.016 5.863 -9.523 1.00 0.00 C ATOM 295 CE LYS A 18 10.320 5.718 -8.740 1.00 0.00 C ATOM 296 NZ LYS A 18 11.464 5.465 -9.608 1.00 0.00 N ATOM 0 H LYS A 18 4.725 6.212 -11.094 1.00 0.00 H new ATOM 0 HA LYS A 18 6.954 4.681 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.634 7.091 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.723 6.583 -8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.009 7.010 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.721 5.284 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.839 4.959 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.108 6.686 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.498 6.626 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.222 4.901 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.324 5.374 -9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.309 4.584 -10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.576 6.256 -10.274 1.00 0.00 H new ATOM 310 N ALA A 19 4.725 4.100 -8.370 1.00 0.00 N ATOM 311 CA ALA A 19 4.332 3.124 -7.372 1.00 0.00 C ATOM 312 C ALA A 19 4.520 1.711 -7.926 1.00 0.00 C ATOM 313 O ALA A 19 5.111 0.843 -7.296 1.00 0.00 O ATOM 314 CB ALA A 19 2.866 3.343 -6.996 1.00 0.00 C ATOM 0 H ALA A 19 4.105 4.903 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 19 4.954 3.243 -6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.569 2.610 -6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.740 4.347 -6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.242 3.228 -7.882 1.00 0.00 H new ATOM 320 N GLU A 20 3.974 1.552 -9.144 1.00 0.00 N ATOM 321 CA GLU A 20 4.044 0.249 -9.777 1.00 0.00 C ATOM 322 C GLU A 20 5.497 -0.136 -10.055 1.00 0.00 C ATOM 323 O GLU A 20 5.925 -1.262 -9.828 1.00 0.00 O ATOM 324 CB GLU A 20 3.285 0.285 -11.102 1.00 0.00 C ATOM 325 CG GLU A 20 1.798 0.589 -10.912 1.00 0.00 C ATOM 326 CD GLU A 20 1.102 0.626 -12.275 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.503 1.429 -13.117 1.00 0.00 O ATOM 328 OE2 GLU A 20 0.169 -0.148 -12.478 1.00 0.00 O ATOM 0 H GLU A 20 3.502 2.280 -9.680 1.00 0.00 H new ATOM 0 HA GLU A 20 3.600 -0.485 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.728 1.040 -11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.396 -0.674 -11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.339 -0.171 -10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.674 1.545 -10.403 1.00 0.00 H new ATOM 335 N GLU A 21 6.211 0.872 -10.583 1.00 0.00 N ATOM 336 CA GLU A 21 7.550 0.592 -11.063 1.00 0.00 C ATOM 337 C GLU A 21 8.456 0.143 -9.913 1.00 0.00 C ATOM 338 O GLU A 21 8.746 -1.035 -9.744 1.00 0.00 O ATOM 339 CB GLU A 21 8.113 1.833 -11.752 1.00 0.00 C ATOM 340 CG GLU A 21 7.177 2.321 -12.859 1.00 0.00 C ATOM 341 CD GLU A 21 7.820 3.487 -13.612 1.00 0.00 C ATOM 342 OE1 GLU A 21 7.618 4.631 -13.206 1.00 0.00 O ATOM 343 OE2 GLU A 21 8.511 3.238 -14.598 1.00 0.00 O ATOM 0 H GLU A 21 5.894 1.837 -10.681 1.00 0.00 H new ATOM 0 HA GLU A 21 7.508 -0.224 -11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.258 2.626 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.092 1.606 -12.173 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.962 1.506 -13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.226 2.635 -12.430 1.00 0.00 H new ATOM 350 N MET A 22 8.902 1.160 -9.155 1.00 0.00 N ATOM 351 CA MET A 22 9.849 0.850 -8.101 1.00 0.00 C ATOM 352 C MET A 22 9.391 -0.371 -7.292 1.00 0.00 C ATOM 353 O MET A 22 10.191 -1.206 -6.890 1.00 0.00 O ATOM 354 CB MET A 22 10.027 2.061 -7.186 1.00 0.00 C ATOM 355 CG MET A 22 8.742 2.417 -6.438 1.00 0.00 C ATOM 356 SD MET A 22 8.979 3.875 -5.409 1.00 0.00 S ATOM 357 CE MET A 22 7.480 3.735 -4.424 1.00 0.00 C ATOM 0 H MET A 22 8.636 2.140 -9.250 1.00 0.00 H new ATOM 0 HA MET A 22 10.808 0.608 -8.560 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.819 1.856 -6.466 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.349 2.917 -7.779 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.939 2.598 -7.153 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.433 1.576 -5.818 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.157 4.728 -4.110 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.695 3.269 -5.020 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.679 3.123 -3.544 1.00 0.00 H new ATOM 367 N LEU A 23 8.062 -0.423 -7.083 1.00 0.00 N ATOM 368 CA LEU A 23 7.548 -1.532 -6.298 1.00 0.00 C ATOM 369 C LEU A 23 7.667 -2.858 -7.064 1.00 0.00 C ATOM 370 O LEU A 23 7.925 -3.906 -6.486 1.00 0.00 O ATOM 371 CB LEU A 23 6.088 -1.275 -5.929 1.00 0.00 C ATOM 372 CG LEU A 23 5.520 -2.366 -5.020 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.395 -2.563 -3.783 1.00 0.00 C ATOM 374 CD2 LEU A 23 4.086 -2.028 -4.614 1.00 0.00 C ATOM 0 H LEU A 23 7.374 0.247 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 23 8.145 -1.610 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.006 -0.310 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.490 -1.215 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 23 5.513 -3.302 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.967 -3.344 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.399 -2.854 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.444 -1.631 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.696 -2.814 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.074 -1.078 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.464 -1.950 -5.506 1.00 0.00 H new ATOM 386 N SER A 24 7.463 -2.748 -8.390 1.00 0.00 N ATOM 387 CA SER A 24 7.573 -3.956 -9.193 1.00 0.00 C ATOM 388 C SER A 24 8.996 -4.547 -9.143 1.00 0.00 C ATOM 389 O SER A 24 9.190 -5.746 -9.300 1.00 0.00 O ATOM 390 CB SER A 24 7.187 -3.646 -10.640 1.00 0.00 C ATOM 391 OG SER A 24 8.075 -2.715 -11.204 1.00 0.00 O ATOM 0 H SER A 24 7.236 -1.890 -8.893 1.00 0.00 H new ATOM 0 HA SER A 24 6.892 -4.700 -8.779 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.194 -4.564 -11.228 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.171 -3.253 -10.674 1.00 0.00 H new ATOM 0 HG SER A 24 8.531 -2.223 -10.489 1.00 0.00 H new ATOM 397 N LYS A 25 9.970 -3.642 -8.917 1.00 0.00 N ATOM 398 CA LYS A 25 11.351 -4.081 -8.859 1.00 0.00 C ATOM 399 C LYS A 25 11.638 -4.822 -7.543 1.00 0.00 C ATOM 400 O LYS A 25 12.712 -4.706 -6.966 1.00 0.00 O ATOM 401 CB LYS A 25 12.247 -2.848 -8.976 1.00 0.00 C ATOM 402 CG LYS A 25 11.836 -1.973 -10.162 1.00 0.00 C ATOM 403 CD LYS A 25 12.601 -0.653 -10.198 1.00 0.00 C ATOM 404 CE LYS A 25 14.071 -0.851 -10.567 1.00 0.00 C ATOM 405 NZ LYS A 25 14.239 -1.385 -11.913 1.00 0.00 N ATOM 0 H LYS A 25 9.821 -2.643 -8.778 1.00 0.00 H new ATOM 0 HA LYS A 25 11.549 -4.774 -9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.191 -2.267 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.285 -3.160 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.010 -2.517 -11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.767 -1.770 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.134 0.017 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.534 -0.169 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.594 0.102 -10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.535 -1.528 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.228 -1.266 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.995 -2.396 -11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.614 -0.875 -12.569 1.00 0.00 H new ATOM 419 N GLN A 26 10.613 -5.582 -7.107 1.00 0.00 N ATOM 420 CA GLN A 26 10.775 -6.319 -5.869 1.00 0.00 C ATOM 421 C GLN A 26 10.800 -7.817 -6.169 1.00 0.00 C ATOM 422 O GLN A 26 10.102 -8.320 -7.043 1.00 0.00 O ATOM 423 CB GLN A 26 9.632 -5.978 -4.912 1.00 0.00 C ATOM 424 CG GLN A 26 9.682 -4.521 -4.456 1.00 0.00 C ATOM 425 CD GLN A 26 10.884 -4.274 -3.541 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.883 -4.981 -3.571 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.699 -3.226 -2.718 1.00 0.00 N ATOM 0 H GLN A 26 9.714 -5.691 -7.576 1.00 0.00 H new ATOM 0 HA GLN A 26 11.716 -6.041 -5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.678 -6.172 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.681 -6.632 -4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.741 -3.866 -5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.762 -4.269 -3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.832 -2.690 -2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.426 -2.967 -2.051 1.00 0.00 H new ATOM 436 N ARG A 27 11.671 -8.480 -5.392 1.00 0.00 N ATOM 437 CA ARG A 27 11.859 -9.900 -5.627 1.00 0.00 C ATOM 438 C ARG A 27 10.916 -10.708 -4.732 1.00 0.00 C ATOM 439 O ARG A 27 10.050 -11.435 -5.200 1.00 0.00 O ATOM 440 CB ARG A 27 13.310 -10.298 -5.349 1.00 0.00 C ATOM 441 CG ARG A 27 14.286 -9.757 -6.397 1.00 0.00 C ATOM 442 CD ARG A 27 14.460 -8.240 -6.331 1.00 0.00 C ATOM 443 NE ARG A 27 15.483 -7.821 -7.272 1.00 0.00 N ATOM 444 CZ ARG A 27 15.742 -6.506 -7.407 1.00 0.00 C ATOM 445 NH1 ARG A 27 15.068 -5.613 -6.686 1.00 0.00 N ATOM 446 NH2 ARG A 27 16.674 -6.100 -8.263 1.00 0.00 N ATOM 0 H ARG A 27 12.224 -8.074 -4.637 1.00 0.00 H new ATOM 0 HA ARG A 27 11.631 -10.114 -6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.600 -9.930 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.384 -11.385 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.257 -10.234 -6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.932 -10.033 -7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.516 -7.746 -6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.738 -7.940 -5.320 1.00 0.00 H new ATOM 0 HE ARG A 27 15.997 -8.510 -7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.353 -5.924 -6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.267 -4.618 -6.791 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.191 -6.784 -8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.872 -5.105 -8.367 1.00 0.00 H new ATOM 460 N HIS A 28 11.156 -10.536 -3.420 1.00 0.00 N ATOM 461 CA HIS A 28 10.358 -11.294 -2.477 1.00 0.00 C ATOM 462 C HIS A 28 8.875 -10.973 -2.684 1.00 0.00 C ATOM 463 O HIS A 28 8.440 -10.578 -3.759 1.00 0.00 O ATOM 464 CB HIS A 28 10.794 -10.957 -1.047 1.00 0.00 C ATOM 465 CG HIS A 28 12.244 -11.335 -0.854 1.00 0.00 C ATOM 466 ND1 HIS A 28 13.080 -10.705 0.000 1.00 0.00 N ATOM 467 CD2 HIS A 28 12.956 -12.361 -1.498 1.00 0.00 C ATOM 468 CE1 HIS A 28 14.265 -11.331 -0.121 1.00 0.00 C ATOM 469 NE2 HIS A 28 14.220 -12.334 -1.018 1.00 0.00 N ATOM 0 H HIS A 28 11.857 -9.914 -3.018 1.00 0.00 H new ATOM 0 HA HIS A 28 10.507 -12.361 -2.642 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.657 -9.893 -0.856 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.170 -11.492 -0.331 1.00 0.00 H new ATOM 0 HD1 HIS A 28 12.859 -9.918 0.610 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.566 -13.044 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.149 -11.060 0.437 1.00 0.00 H new ATOM 477 N ASP A 29 8.139 -11.167 -1.576 1.00 0.00 N ATOM 478 CA ASP A 29 6.713 -10.905 -1.637 1.00 0.00 C ATOM 479 C ASP A 29 6.267 -10.215 -0.347 1.00 0.00 C ATOM 480 O ASP A 29 6.407 -10.740 0.751 1.00 0.00 O ATOM 481 CB ASP A 29 5.954 -12.218 -1.825 1.00 0.00 C ATOM 482 CG ASP A 29 6.419 -12.907 -3.111 1.00 0.00 C ATOM 483 OD1 ASP A 29 7.375 -13.679 -3.049 1.00 0.00 O ATOM 484 OD2 ASP A 29 5.818 -12.667 -4.156 1.00 0.00 O ATOM 0 H ASP A 29 8.495 -11.488 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 29 6.497 -10.252 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.123 -12.872 -0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.882 -12.025 -1.872 1.00 0.00 H new ATOM 489 N GLY A 30 5.726 -9.003 -0.561 1.00 0.00 N ATOM 490 CA GLY A 30 5.295 -8.234 0.596 1.00 0.00 C ATOM 491 C GLY A 30 5.670 -6.741 0.501 1.00 0.00 C ATOM 492 O GLY A 30 5.114 -5.910 1.210 1.00 0.00 O ATOM 0 H GLY A 30 5.586 -8.563 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.214 -8.325 0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.742 -8.659 1.495 1.00 0.00 H new ATOM 496 N ALA A 31 6.624 -6.442 -0.405 1.00 0.00 N ATOM 497 CA ALA A 31 6.988 -5.050 -0.585 1.00 0.00 C ATOM 498 C ALA A 31 5.717 -4.208 -0.698 1.00 0.00 C ATOM 499 O ALA A 31 4.912 -4.392 -1.603 1.00 0.00 O ATOM 500 CB ALA A 31 7.834 -4.898 -1.848 1.00 0.00 C ATOM 0 H ALA A 31 7.124 -7.114 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 31 7.571 -4.709 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.106 -3.851 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.739 -5.499 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.262 -5.236 -2.712 1.00 0.00 H new ATOM 506 N PHE A 32 5.576 -3.284 0.273 1.00 0.00 N ATOM 507 CA PHE A 32 4.360 -2.485 0.238 1.00 0.00 C ATOM 508 C PHE A 32 4.668 -0.990 0.397 1.00 0.00 C ATOM 509 O PHE A 32 5.693 -0.585 0.933 1.00 0.00 O ATOM 510 CB PHE A 32 3.360 -2.971 1.303 1.00 0.00 C ATOM 511 CG PHE A 32 3.666 -2.473 2.689 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.763 -3.022 3.445 1.00 0.00 C ATOM 513 CD2 PHE A 32 2.861 -1.426 3.268 1.00 0.00 C ATOM 514 CE1 PHE A 32 5.052 -2.532 4.767 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.147 -0.935 4.590 1.00 0.00 C ATOM 516 CZ PHE A 32 4.244 -1.488 5.338 1.00 0.00 C ATOM 0 H PHE A 32 6.234 -3.089 1.028 1.00 0.00 H new ATOM 0 HA PHE A 32 3.898 -2.616 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.358 -2.647 1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.352 -4.061 1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.371 -3.805 3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.039 -1.008 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.875 -2.948 5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.539 -0.153 5.020 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.461 -1.119 6.329 1.00 0.00 H new ATOM 526 N LEU A 33 3.675 -0.220 -0.078 1.00 0.00 N ATOM 527 CA LEU A 33 3.686 1.198 0.212 1.00 0.00 C ATOM 528 C LEU A 33 2.257 1.727 0.129 1.00 0.00 C ATOM 529 O LEU A 33 1.398 1.160 -0.535 1.00 0.00 O ATOM 530 CB LEU A 33 4.616 1.954 -0.740 1.00 0.00 C ATOM 531 CG LEU A 33 4.298 1.763 -2.226 1.00 0.00 C ATOM 532 CD1 LEU A 33 3.100 2.604 -2.675 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.525 2.142 -3.054 1.00 0.00 C ATOM 0 H LEU A 33 2.891 -0.550 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 33 4.072 1.358 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.568 3.017 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.641 1.633 -0.557 1.00 0.00 H new ATOM 0 HG LEU A 33 4.039 0.715 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.914 2.435 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.219 2.317 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.314 3.660 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.305 2.008 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.783 3.184 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.364 1.504 -2.774 1.00 0.00 H new ATOM 545 N ILE A 34 2.059 2.844 0.848 1.00 0.00 N ATOM 546 CA ILE A 34 0.752 3.467 0.761 1.00 0.00 C ATOM 547 C ILE A 34 0.907 4.890 0.228 1.00 0.00 C ATOM 548 O ILE A 34 1.495 5.759 0.861 1.00 0.00 O ATOM 549 CB ILE A 34 0.074 3.473 2.131 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.234 2.048 2.594 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.202 4.313 2.091 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.922 2.030 3.960 1.00 0.00 C ATOM 0 H ILE A 34 2.742 3.300 1.453 1.00 0.00 H new ATOM 0 HA ILE A 34 0.123 2.897 0.077 1.00 0.00 H new ATOM 0 HB ILE A 34 0.761 3.920 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.872 1.557 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.692 1.475 2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.673 4.307 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.955 5.338 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.890 3.894 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.123 0.999 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.273 2.497 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.861 2.581 3.902 1.00 0.00 H new ATOM 564 N ARG A 35 0.341 5.055 -0.980 1.00 0.00 N ATOM 565 CA ARG A 35 0.444 6.368 -1.586 1.00 0.00 C ATOM 566 C ARG A 35 -0.621 7.283 -0.980 1.00 0.00 C ATOM 567 O ARG A 35 -1.807 6.975 -0.959 1.00 0.00 O ATOM 568 CB ARG A 35 0.298 6.275 -3.107 1.00 0.00 C ATOM 569 CG ARG A 35 -1.018 5.628 -3.535 1.00 0.00 C ATOM 570 CD ARG A 35 -0.861 4.127 -3.789 1.00 0.00 C ATOM 571 NE ARG A 35 -0.081 3.905 -4.991 1.00 0.00 N ATOM 572 CZ ARG A 35 -0.709 3.931 -6.181 1.00 0.00 C ATOM 573 NH1 ARG A 35 -2.017 4.168 -6.248 1.00 0.00 N ATOM 574 NH2 ARG A 35 -0.020 3.719 -7.298 1.00 0.00 N ATOM 0 H ARG A 35 -0.157 4.344 -1.515 1.00 0.00 H new ATOM 0 HA ARG A 35 1.429 6.788 -1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.363 7.275 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.130 5.700 -3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.770 5.789 -2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.383 6.113 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.372 3.655 -2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.842 3.663 -3.892 1.00 0.00 H new ATOM 0 HE ARG A 35 0.923 3.733 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.550 4.331 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.486 4.186 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.983 3.537 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.494 3.738 -8.201 1.00 0.00 H new ATOM 588 N GLU A 36 -0.107 8.414 -0.462 1.00 0.00 N ATOM 589 CA GLU A 36 -0.998 9.281 0.287 1.00 0.00 C ATOM 590 C GLU A 36 -1.158 10.636 -0.406 1.00 0.00 C ATOM 591 O GLU A 36 -0.201 11.279 -0.819 1.00 0.00 O ATOM 592 CB GLU A 36 -0.450 9.478 1.700 1.00 0.00 C ATOM 593 CG GLU A 36 0.934 10.127 1.689 1.00 0.00 C ATOM 594 CD GLU A 36 1.433 10.311 3.124 1.00 0.00 C ATOM 595 OE1 GLU A 36 1.108 9.478 3.969 1.00 0.00 O ATOM 596 OE2 GLU A 36 2.136 11.287 3.380 1.00 0.00 O ATOM 0 H GLU A 36 0.861 8.725 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.979 8.809 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.138 10.100 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.395 8.514 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.632 9.506 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.889 11.092 1.184 1.00 0.00 H new ATOM 603 N SER A 37 -2.448 11.014 -0.478 1.00 0.00 N ATOM 604 CA SER A 37 -2.799 12.341 -0.952 1.00 0.00 C ATOM 605 C SER A 37 -2.562 12.532 -2.458 1.00 0.00 C ATOM 606 O SER A 37 -3.059 13.484 -3.047 1.00 0.00 O ATOM 607 CB SER A 37 -2.015 13.381 -0.164 1.00 0.00 C ATOM 608 OG SER A 37 -2.359 14.683 -0.564 1.00 0.00 O ATOM 0 H SER A 37 -3.239 10.426 -0.218 1.00 0.00 H new ATOM 0 HA SER A 37 -3.870 12.466 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.213 13.260 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.946 13.223 -0.310 1.00 0.00 H new ATOM 0 HG SER A 37 -2.669 14.668 -1.493 1.00 0.00 H new ATOM 614 N GLU A 38 -1.807 11.590 -3.063 1.00 0.00 N ATOM 615 CA GLU A 38 -1.674 11.672 -4.511 1.00 0.00 C ATOM 616 C GLU A 38 -3.011 12.056 -5.173 1.00 0.00 C ATOM 617 O GLU A 38 -3.060 12.789 -6.155 1.00 0.00 O ATOM 618 CB GLU A 38 -1.202 10.329 -5.064 1.00 0.00 C ATOM 619 CG GLU A 38 -0.934 10.404 -6.565 1.00 0.00 C ATOM 620 CD GLU A 38 -0.430 9.055 -7.077 1.00 0.00 C ATOM 621 OE1 GLU A 38 -0.886 8.028 -6.575 1.00 0.00 O ATOM 622 OE2 GLU A 38 0.415 9.047 -7.970 1.00 0.00 O ATOM 0 H GLU A 38 -1.318 10.822 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.941 12.446 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.294 10.020 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.956 9.568 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.846 10.684 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.196 11.179 -6.772 1.00 0.00 H new ATOM 629 N SER A 39 -4.080 11.524 -4.551 1.00 0.00 N ATOM 630 CA SER A 39 -5.419 11.887 -4.964 1.00 0.00 C ATOM 631 C SER A 39 -6.325 11.826 -3.734 1.00 0.00 C ATOM 632 O SER A 39 -7.133 10.920 -3.570 1.00 0.00 O ATOM 633 CB SER A 39 -5.912 10.924 -6.045 1.00 0.00 C ATOM 634 OG SER A 39 -5.937 9.606 -5.560 1.00 0.00 O ATOM 0 H SER A 39 -4.031 10.858 -3.780 1.00 0.00 H new ATOM 0 HA SER A 39 -5.430 12.893 -5.383 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.910 11.216 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.261 10.984 -6.917 1.00 0.00 H new ATOM 0 HG SER A 39 -6.450 9.574 -4.726 1.00 0.00 H new ATOM 640 N ALA A 40 -6.112 12.842 -2.879 1.00 0.00 N ATOM 641 CA ALA A 40 -6.838 12.866 -1.631 1.00 0.00 C ATOM 642 C ALA A 40 -8.292 13.178 -1.987 1.00 0.00 C ATOM 643 O ALA A 40 -8.663 13.086 -3.152 1.00 0.00 O ATOM 644 CB ALA A 40 -6.172 13.916 -0.740 1.00 0.00 C ATOM 0 H ALA A 40 -5.469 13.619 -3.033 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.824 11.927 -1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.693 13.965 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.130 13.643 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.218 14.889 -1.228 1.00 0.00 H new ATOM 650 N PRO A 41 -9.125 13.557 -0.991 1.00 0.00 N ATOM 651 CA PRO A 41 -8.816 13.707 0.430 1.00 0.00 C ATOM 652 C PRO A 41 -8.400 12.378 1.085 1.00 0.00 C ATOM 653 O PRO A 41 -7.309 11.872 0.856 1.00 0.00 O ATOM 654 CB PRO A 41 -10.098 14.307 1.029 1.00 0.00 C ATOM 655 CG PRO A 41 -11.208 13.988 0.026 1.00 0.00 C ATOM 656 CD PRO A 41 -10.496 13.889 -1.323 1.00 0.00 C ATOM 0 HA PRO A 41 -7.952 14.349 0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.315 13.873 2.005 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.997 15.383 1.173 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.712 13.055 0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.969 14.769 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.947 13.123 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.554 14.829 -1.872 1.00 0.00 H new ATOM 664 N GLY A 42 -9.310 11.862 1.931 1.00 0.00 N ATOM 665 CA GLY A 42 -9.001 10.628 2.627 1.00 0.00 C ATOM 666 C GLY A 42 -9.053 9.453 1.651 1.00 0.00 C ATOM 667 O GLY A 42 -9.977 8.650 1.640 1.00 0.00 O ATOM 0 H GLY A 42 -10.223 12.268 2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.011 10.693 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.712 10.470 3.438 1.00 0.00 H new ATOM 671 N ASP A 43 -7.986 9.426 0.838 1.00 0.00 N ATOM 672 CA ASP A 43 -7.901 8.397 -0.179 1.00 0.00 C ATOM 673 C ASP A 43 -6.518 7.743 -0.133 1.00 0.00 C ATOM 674 O ASP A 43 -5.521 8.306 -0.570 1.00 0.00 O ATOM 675 CB ASP A 43 -8.139 9.029 -1.549 1.00 0.00 C ATOM 676 CG ASP A 43 -9.544 9.631 -1.606 1.00 0.00 C ATOM 677 OD1 ASP A 43 -9.895 10.389 -0.703 1.00 0.00 O ATOM 678 OD2 ASP A 43 -10.274 9.332 -2.549 1.00 0.00 O ATOM 0 H ASP A 43 -7.205 10.081 0.869 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.657 7.633 0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.394 9.802 -1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.023 8.278 -2.331 1.00 0.00 H new ATOM 683 N PHE A 44 -6.535 6.517 0.420 1.00 0.00 N ATOM 684 CA PHE A 44 -5.281 5.796 0.532 1.00 0.00 C ATOM 685 C PHE A 44 -5.464 4.360 0.036 1.00 0.00 C ATOM 686 O PHE A 44 -6.421 3.676 0.375 1.00 0.00 O ATOM 687 CB PHE A 44 -4.820 5.782 1.990 1.00 0.00 C ATOM 688 CG PHE A 44 -4.608 7.169 2.522 1.00 0.00 C ATOM 689 CD1 PHE A 44 -4.051 8.197 1.683 1.00 0.00 C ATOM 690 CD2 PHE A 44 -4.962 7.480 3.883 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.849 9.526 2.197 1.00 0.00 C ATOM 692 CE2 PHE A 44 -4.763 8.808 4.401 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.206 9.831 3.557 1.00 0.00 C ATOM 0 H PHE A 44 -7.361 6.036 0.775 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.527 6.294 -0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.562 5.268 2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.892 5.216 2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.783 7.970 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.379 6.713 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.430 10.293 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.031 9.036 5.422 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.056 10.828 3.944 1.00 0.00 H new ATOM 703 N SER A 45 -4.477 3.958 -0.784 1.00 0.00 N ATOM 704 CA SER A 45 -4.502 2.589 -1.265 1.00 0.00 C ATOM 705 C SER A 45 -3.151 1.926 -0.982 1.00 0.00 C ATOM 706 O SER A 45 -2.090 2.525 -1.119 1.00 0.00 O ATOM 707 CB SER A 45 -4.834 2.562 -2.758 1.00 0.00 C ATOM 708 OG SER A 45 -3.903 3.315 -3.490 1.00 0.00 O ATOM 0 H SER A 45 -3.698 4.533 -1.106 1.00 0.00 H new ATOM 0 HA SER A 45 -5.278 2.029 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.837 1.532 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.836 2.959 -2.919 1.00 0.00 H new ATOM 0 HG SER A 45 -4.133 3.283 -4.442 1.00 0.00 H new ATOM 714 N LEU A 46 -3.280 0.657 -0.549 1.00 0.00 N ATOM 715 CA LEU A 46 -2.097 -0.064 -0.123 1.00 0.00 C ATOM 716 C LEU A 46 -1.581 -0.943 -1.265 1.00 0.00 C ATOM 717 O LEU A 46 -2.251 -1.857 -1.729 1.00 0.00 O ATOM 718 CB LEU A 46 -2.454 -0.923 1.094 1.00 0.00 C ATOM 719 CG LEU A 46 -1.226 -1.350 1.904 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.652 -1.906 3.263 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.386 -2.385 1.154 1.00 0.00 C ATOM 0 H LEU A 46 -4.157 0.140 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.310 0.640 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.133 -0.365 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.990 -1.812 0.760 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.609 -0.465 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.768 -2.205 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.193 -1.139 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.298 -2.771 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.476 -2.663 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.991 -3.270 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.044 -1.961 0.210 1.00 0.00 H new ATOM 733 N SER A 47 -0.349 -0.602 -1.682 1.00 0.00 N ATOM 734 CA SER A 47 0.238 -1.348 -2.780 1.00 0.00 C ATOM 735 C SER A 47 1.154 -2.444 -2.232 1.00 0.00 C ATOM 736 O SER A 47 1.861 -2.264 -1.248 1.00 0.00 O ATOM 737 CB SER A 47 1.031 -0.401 -3.682 1.00 0.00 C ATOM 738 OG SER A 47 0.202 0.614 -4.188 1.00 0.00 O ATOM 0 H SER A 47 0.225 0.146 -1.293 1.00 0.00 H new ATOM 0 HA SER A 47 -0.556 -1.812 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.853 0.041 -3.120 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.473 -0.961 -4.506 1.00 0.00 H new ATOM 0 HG SER A 47 0.728 1.210 -4.761 1.00 0.00 H new ATOM 744 N VAL A 48 1.084 -3.589 -2.935 1.00 0.00 N ATOM 745 CA VAL A 48 1.911 -4.704 -2.515 1.00 0.00 C ATOM 746 C VAL A 48 2.267 -5.575 -3.720 1.00 0.00 C ATOM 747 O VAL A 48 1.437 -5.859 -4.575 1.00 0.00 O ATOM 748 CB VAL A 48 1.160 -5.560 -1.495 1.00 0.00 C ATOM 749 CG1 VAL A 48 1.993 -6.781 -1.101 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.781 -4.731 -0.269 1.00 0.00 C ATOM 0 H VAL A 48 0.494 -3.752 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 48 2.821 -4.308 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 48 0.238 -5.916 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.442 -7.378 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.197 -7.384 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.935 -6.452 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.247 -5.359 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.684 -4.338 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.141 -3.903 -0.573 1.00 0.00 H new ATOM 760 N LYS A 49 3.546 -5.993 -3.720 1.00 0.00 N ATOM 761 CA LYS A 49 3.908 -6.966 -4.730 1.00 0.00 C ATOM 762 C LYS A 49 3.420 -8.345 -4.289 1.00 0.00 C ATOM 763 O LYS A 49 3.937 -8.947 -3.355 1.00 0.00 O ATOM 764 CB LYS A 49 5.417 -6.992 -4.960 1.00 0.00 C ATOM 765 CG LYS A 49 5.776 -8.075 -5.978 1.00 0.00 C ATOM 766 CD LYS A 49 7.248 -8.041 -6.374 1.00 0.00 C ATOM 767 CE LYS A 49 7.550 -6.885 -7.326 1.00 0.00 C ATOM 768 NZ LYS A 49 6.880 -7.036 -8.612 1.00 0.00 N ATOM 0 H LYS A 49 4.284 -5.694 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 49 3.436 -6.687 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.755 -6.019 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.933 -7.182 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.538 -9.054 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.161 -7.950 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.863 -7.946 -5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.519 -8.984 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.239 -5.947 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.626 -6.820 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.459 -6.600 -9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.751 -8.047 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.952 -6.569 -8.577 1.00 0.00 H new ATOM 782 N PHE A 50 2.389 -8.797 -5.023 1.00 0.00 N ATOM 783 CA PHE A 50 1.832 -10.091 -4.685 1.00 0.00 C ATOM 784 C PHE A 50 2.747 -11.194 -5.218 1.00 0.00 C ATOM 785 O PHE A 50 3.674 -11.649 -4.558 1.00 0.00 O ATOM 786 CB PHE A 50 0.412 -10.210 -5.245 1.00 0.00 C ATOM 787 CG PHE A 50 -0.169 -11.563 -4.967 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.195 -12.278 -3.771 1.00 0.00 C ATOM 789 CD2 PHE A 50 -1.095 -12.162 -5.896 1.00 0.00 C ATOM 790 CE1 PHE A 50 -0.358 -13.579 -3.505 1.00 0.00 C ATOM 791 CE2 PHE A 50 -1.649 -13.463 -5.633 1.00 0.00 C ATOM 792 CZ PHE A 50 -1.278 -14.172 -4.438 1.00 0.00 C ATOM 0 H PHE A 50 1.954 -8.310 -5.807 1.00 0.00 H new ATOM 0 HA PHE A 50 1.769 -10.198 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.222 -9.441 -4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.426 -10.031 -6.320 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.887 -11.835 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.374 -11.631 -6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.083 -14.110 -2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.343 -13.907 -6.332 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.691 -15.150 -4.241 1.00 0.00 H new ATOM 802 N GLY A 51 2.412 -11.585 -6.456 1.00 0.00 N ATOM 803 CA GLY A 51 3.200 -12.611 -7.109 1.00 0.00 C ATOM 804 C GLY A 51 4.239 -11.967 -8.025 1.00 0.00 C ATOM 805 O GLY A 51 5.419 -11.872 -7.710 1.00 0.00 O ATOM 0 H GLY A 51 1.631 -11.217 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.696 -13.231 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.550 -13.267 -7.687 1.00 0.00 H new ATOM 809 N ASN A 52 3.705 -11.543 -9.182 1.00 0.00 N ATOM 810 CA ASN A 52 4.567 -10.907 -10.164 1.00 0.00 C ATOM 811 C ASN A 52 4.163 -9.443 -10.430 1.00 0.00 C ATOM 812 O ASN A 52 4.977 -8.633 -10.857 1.00 0.00 O ATOM 813 CB ASN A 52 4.490 -11.695 -11.471 1.00 0.00 C ATOM 814 CG ASN A 52 5.461 -11.106 -12.496 1.00 0.00 C ATOM 815 OD1 ASN A 52 5.182 -11.039 -13.687 1.00 0.00 O ATOM 816 ND2 ASN A 52 6.612 -10.679 -11.947 1.00 0.00 N ATOM 0 H ASN A 52 2.723 -11.628 -9.444 1.00 0.00 H new ATOM 0 HA ASN A 52 5.583 -10.903 -9.769 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.732 -12.742 -11.289 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.473 -11.666 -11.863 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.333 -10.261 -12.535 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.764 -10.773 -10.943 1.00 0.00 H new ATOM 823 N ASP A 53 2.872 -9.153 -10.168 1.00 0.00 N ATOM 824 CA ASP A 53 2.395 -7.821 -10.485 1.00 0.00 C ATOM 825 C ASP A 53 2.161 -7.031 -9.194 1.00 0.00 C ATOM 826 O ASP A 53 2.397 -7.506 -8.089 1.00 0.00 O ATOM 827 CB ASP A 53 1.107 -7.925 -11.306 1.00 0.00 C ATOM 828 CG ASP A 53 0.731 -6.566 -11.900 1.00 0.00 C ATOM 829 OD1 ASP A 53 1.633 -5.775 -12.174 1.00 0.00 O ATOM 830 OD2 ASP A 53 -0.460 -6.311 -12.076 1.00 0.00 O ATOM 0 H ASP A 53 2.187 -9.791 -9.762 1.00 0.00 H new ATOM 0 HA ASP A 53 3.143 -7.292 -11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.238 -8.653 -12.106 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.296 -8.288 -10.675 1.00 0.00 H new ATOM 835 N VAL A 54 1.686 -5.795 -9.420 1.00 0.00 N ATOM 836 CA VAL A 54 1.449 -4.916 -8.291 1.00 0.00 C ATOM 837 C VAL A 54 -0.031 -4.946 -7.910 1.00 0.00 C ATOM 838 O VAL A 54 -0.907 -4.572 -8.680 1.00 0.00 O ATOM 839 CB VAL A 54 1.869 -3.493 -8.657 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.559 -2.523 -7.516 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.352 -3.441 -9.026 1.00 0.00 C ATOM 0 H VAL A 54 1.470 -5.405 -10.337 1.00 0.00 H new ATOM 0 HA VAL A 54 2.037 -5.255 -7.438 1.00 0.00 H new ATOM 0 HB VAL A 54 1.292 -3.185 -9.529 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.867 -1.517 -7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.488 -2.531 -7.312 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.101 -2.829 -6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.627 -2.418 -9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.950 -3.776 -8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.537 -4.092 -9.880 1.00 0.00 H new ATOM 851 N GLN A 55 -0.241 -5.410 -6.666 1.00 0.00 N ATOM 852 CA GLN A 55 -1.601 -5.439 -6.165 1.00 0.00 C ATOM 853 C GLN A 55 -1.847 -4.210 -5.291 1.00 0.00 C ATOM 854 O GLN A 55 -0.929 -3.584 -4.778 1.00 0.00 O ATOM 855 CB GLN A 55 -1.836 -6.721 -5.369 1.00 0.00 C ATOM 856 CG GLN A 55 -3.230 -6.769 -4.740 1.00 0.00 C ATOM 857 CD GLN A 55 -3.447 -8.115 -4.039 1.00 0.00 C ATOM 858 OE1 GLN A 55 -4.542 -8.663 -4.023 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.329 -8.612 -3.479 1.00 0.00 N ATOM 0 H GLN A 55 0.479 -5.750 -6.028 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.299 -5.422 -7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.706 -7.582 -6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.083 -6.802 -4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.342 -5.955 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.989 -6.624 -5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.454 -8.091 -3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.356 -9.510 -2.996 1.00 0.00 H new ATOM 868 N HIS A 56 -3.150 -3.902 -5.180 1.00 0.00 N ATOM 869 CA HIS A 56 -3.499 -2.700 -4.451 1.00 0.00 C ATOM 870 C HIS A 56 -4.823 -2.892 -3.707 1.00 0.00 C ATOM 871 O HIS A 56 -5.787 -3.435 -4.232 1.00 0.00 O ATOM 872 CB HIS A 56 -3.599 -1.521 -5.420 1.00 0.00 C ATOM 873 CG HIS A 56 -4.724 -1.748 -6.404 1.00 0.00 C ATOM 874 ND1 HIS A 56 -5.128 -2.965 -6.832 1.00 0.00 N ATOM 875 CD2 HIS A 56 -5.522 -0.774 -7.028 1.00 0.00 C ATOM 876 CE1 HIS A 56 -6.139 -2.735 -7.688 1.00 0.00 C ATOM 877 NE2 HIS A 56 -6.399 -1.423 -7.826 1.00 0.00 N ATOM 0 H HIS A 56 -3.927 -4.439 -5.564 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.721 -2.492 -3.716 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.772 -0.599 -4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.657 -1.400 -5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.448 0.295 -6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.680 -3.514 -8.205 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.116 -1.001 -8.416 1.00 0.00 H new ATOM 885 N PHE A 57 -4.796 -2.402 -2.454 1.00 0.00 N ATOM 886 CA PHE A 57 -6.014 -2.469 -1.670 1.00 0.00 C ATOM 887 C PHE A 57 -6.463 -1.057 -1.302 1.00 0.00 C ATOM 888 O PHE A 57 -5.838 -0.368 -0.505 1.00 0.00 O ATOM 889 CB PHE A 57 -5.796 -3.277 -0.389 1.00 0.00 C ATOM 890 CG PHE A 57 -5.263 -4.649 -0.683 1.00 0.00 C ATOM 891 CD1 PHE A 57 -5.942 -5.504 -1.622 1.00 0.00 C ATOM 892 CD2 PHE A 57 -4.066 -5.119 -0.033 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.432 -6.818 -1.909 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.553 -6.432 -0.318 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.237 -7.282 -1.256 1.00 0.00 C ATOM 0 H PHE A 57 -3.988 -1.981 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.780 -2.962 -2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.100 -2.748 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.738 -3.361 0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.839 -5.157 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.552 -4.482 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.945 -7.455 -2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.655 -6.780 0.172 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.853 -8.269 -1.470 1.00 0.00 H new ATOM 905 N LYS A 58 -7.590 -0.682 -1.927 1.00 0.00 N ATOM 906 CA LYS A 58 -8.121 0.625 -1.600 1.00 0.00 C ATOM 907 C LYS A 58 -8.501 0.663 -0.120 1.00 0.00 C ATOM 908 O LYS A 58 -9.470 0.051 0.312 1.00 0.00 O ATOM 909 CB LYS A 58 -9.347 0.919 -2.465 1.00 0.00 C ATOM 910 CG LYS A 58 -8.986 1.002 -3.948 1.00 0.00 C ATOM 911 CD LYS A 58 -10.173 1.448 -4.800 1.00 0.00 C ATOM 912 CE LYS A 58 -11.337 0.458 -4.723 1.00 0.00 C ATOM 913 NZ LYS A 58 -10.998 -0.841 -5.291 1.00 0.00 N ATOM 0 H LYS A 58 -8.112 -1.229 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.364 1.384 -1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.093 0.139 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.800 1.858 -2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.160 1.701 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.638 0.028 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.509 2.430 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.855 1.554 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.634 0.330 -3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.197 0.870 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.852 -1.432 -5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.611 -0.711 -6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.288 -1.308 -4.691 1.00 0.00 H new ATOM 927 N VAL A 59 -7.685 1.436 0.619 1.00 0.00 N ATOM 928 CA VAL A 59 -8.063 1.655 2.000 1.00 0.00 C ATOM 929 C VAL A 59 -9.175 2.703 2.021 1.00 0.00 C ATOM 930 O VAL A 59 -8.941 3.905 2.028 1.00 0.00 O ATOM 931 CB VAL A 59 -6.852 2.112 2.812 1.00 0.00 C ATOM 932 CG1 VAL A 59 -7.214 2.232 4.290 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.679 1.150 2.623 1.00 0.00 C ATOM 0 H VAL A 59 -6.825 1.884 0.303 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.424 0.731 2.452 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.549 3.094 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.340 2.558 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.016 2.960 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.545 1.263 4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.828 1.495 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.969 0.153 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.403 1.116 1.569 1.00 0.00 H new ATOM 943 N LEU A 60 -10.398 2.147 1.985 1.00 0.00 N ATOM 944 CA LEU A 60 -11.538 2.979 1.672 1.00 0.00 C ATOM 945 C LEU A 60 -11.915 3.908 2.828 1.00 0.00 C ATOM 946 O LEU A 60 -11.298 3.940 3.886 1.00 0.00 O ATOM 947 CB LEU A 60 -12.715 2.083 1.297 1.00 0.00 C ATOM 948 CG LEU A 60 -12.427 1.269 0.032 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.570 0.302 -0.268 1.00 0.00 C ATOM 950 CD2 LEU A 60 -12.176 2.182 -1.169 1.00 0.00 C ATOM 0 H LEU A 60 -10.604 1.164 2.163 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.273 3.621 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.935 1.406 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.603 2.695 1.141 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.522 0.689 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.340 -0.264 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.694 -0.385 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.492 0.864 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.975 1.575 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.056 2.800 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.318 2.823 -0.966 1.00 0.00 H new ATOM 962 N ARG A 61 -12.977 4.665 2.485 1.00 0.00 N ATOM 963 CA ARG A 61 -13.500 5.754 3.285 1.00 0.00 C ATOM 964 C ARG A 61 -12.516 6.205 4.375 1.00 0.00 C ATOM 965 O ARG A 61 -11.308 6.240 4.174 1.00 0.00 O ATOM 966 CB ARG A 61 -14.842 5.307 3.850 1.00 0.00 C ATOM 967 CG ARG A 61 -14.676 3.987 4.587 1.00 0.00 C ATOM 968 CD ARG A 61 -16.000 3.496 5.147 1.00 0.00 C ATOM 969 NE ARG A 61 -16.455 4.408 6.180 1.00 0.00 N ATOM 970 CZ ARG A 61 -17.772 4.536 6.426 1.00 0.00 C ATOM 971 NH1 ARG A 61 -18.660 3.812 5.749 1.00 0.00 N ATOM 972 NH2 ARG A 61 -18.184 5.394 7.353 1.00 0.00 N ATOM 0 H ARG A 61 -13.497 4.520 1.619 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.642 6.638 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.233 6.066 4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.567 5.196 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.266 3.239 3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.959 4.109 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.742 3.431 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.884 2.493 5.557 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.779 4.950 6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.344 3.153 5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.656 3.916 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.504 5.950 7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.180 5.497 7.546 1.00 0.00 H new ATOM 986 N ASP A 62 -13.127 6.586 5.515 1.00 0.00 N ATOM 987 CA ASP A 62 -12.390 7.288 6.555 1.00 0.00 C ATOM 988 C ASP A 62 -13.355 7.930 7.573 1.00 0.00 C ATOM 989 O ASP A 62 -13.060 8.026 8.759 1.00 0.00 O ATOM 990 CB ASP A 62 -11.528 8.397 5.944 1.00 0.00 C ATOM 991 CG ASP A 62 -10.840 9.184 7.060 1.00 0.00 C ATOM 992 OD1 ASP A 62 -10.478 8.579 8.069 1.00 0.00 O ATOM 993 OD2 ASP A 62 -10.678 10.395 6.911 1.00 0.00 O ATOM 0 H ASP A 62 -14.111 6.418 5.726 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.758 6.557 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.782 7.966 5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.147 9.063 5.343 1.00 0.00 H new ATOM 998 N GLY A 63 -14.512 8.369 7.038 1.00 0.00 N ATOM 999 CA GLY A 63 -15.485 9.046 7.877 1.00 0.00 C ATOM 1000 C GLY A 63 -15.557 8.419 9.272 1.00 0.00 C ATOM 1001 O GLY A 63 -14.773 8.725 10.161 1.00 0.00 O ATOM 0 H GLY A 63 -14.778 8.266 6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.221 10.100 7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.467 9.001 7.406 1.00 0.00 H new ATOM 1005 N ALA A 64 -16.570 7.542 9.404 1.00 0.00 N ATOM 1006 CA ALA A 64 -16.775 6.921 10.700 1.00 0.00 C ATOM 1007 C ALA A 64 -16.126 5.535 10.719 1.00 0.00 C ATOM 1008 O ALA A 64 -15.446 5.153 11.663 1.00 0.00 O ATOM 1009 CB ALA A 64 -18.273 6.808 10.985 1.00 0.00 C ATOM 0 H ALA A 64 -17.220 7.267 8.667 1.00 0.00 H new ATOM 0 HA ALA A 64 -16.313 7.535 11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -18.424 6.341 11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.719 7.802 10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.745 6.199 10.214 1.00 0.00 H new ATOM 1015 N GLY A 65 -16.372 4.820 9.606 1.00 0.00 N ATOM 1016 CA GLY A 65 -15.721 3.531 9.454 1.00 0.00 C ATOM 1017 C GLY A 65 -14.181 3.635 9.446 1.00 0.00 C ATOM 1018 O GLY A 65 -13.483 2.652 9.668 1.00 0.00 O ATOM 0 H GLY A 65 -16.986 5.103 8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.032 2.874 10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.054 3.068 8.525 1.00 0.00 H new ATOM 1022 N LYS A 66 -13.691 4.863 9.181 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.255 5.046 9.116 1.00 0.00 C ATOM 1024 C LYS A 66 -11.699 4.287 7.906 1.00 0.00 C ATOM 1025 O LYS A 66 -12.312 4.240 6.846 1.00 0.00 O ATOM 1026 CB LYS A 66 -11.617 4.613 10.438 1.00 0.00 C ATOM 1027 CG LYS A 66 -12.239 5.370 11.616 1.00 0.00 C ATOM 1028 CD LYS A 66 -11.563 5.087 12.962 1.00 0.00 C ATOM 1029 CE LYS A 66 -10.252 5.860 13.139 1.00 0.00 C ATOM 1030 NZ LYS A 66 -9.198 5.437 12.226 1.00 0.00 N ATOM 0 H LYS A 66 -14.251 5.699 9.017 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.009 6.099 8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.751 3.540 10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.543 4.799 10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.190 6.440 11.414 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.294 5.107 11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.247 5.349 13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.364 4.019 13.047 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.444 6.923 12.992 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.904 5.738 14.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.289 5.419 12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.413 4.486 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.139 6.104 11.431 1.00 0.00 H new ATOM 1044 N TYR A 67 -10.512 3.696 8.130 1.00 0.00 N ATOM 1045 CA TYR A 67 -9.899 2.951 7.044 1.00 0.00 C ATOM 1046 C TYR A 67 -10.576 1.584 6.923 1.00 0.00 C ATOM 1047 O TYR A 67 -10.959 0.974 7.914 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.403 2.796 7.318 1.00 0.00 C ATOM 1049 CG TYR A 67 -7.735 4.136 7.416 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -7.721 5.022 6.279 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -7.109 4.550 8.645 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -7.088 6.311 6.371 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -6.475 5.839 8.740 1.00 0.00 C ATOM 1054 CZ TYR A 67 -6.465 6.719 7.602 1.00 0.00 C ATOM 1055 OH TYR A 67 -5.857 7.954 7.692 1.00 0.00 O ATOM 0 H TYR A 67 -9.990 3.721 9.006 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.026 3.486 6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.254 2.242 8.245 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.942 2.213 6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.188 4.717 5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.115 3.890 9.500 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.081 6.972 5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.008 6.145 9.664 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.487 8.072 8.592 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.719 1.150 5.656 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.458 -0.089 5.485 1.00 0.00 C ATOM 1067 C PHE A 68 -11.071 -0.785 4.169 1.00 0.00 C ATOM 1068 O PHE A 68 -10.960 -0.165 3.118 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.945 0.275 5.498 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.843 -0.920 5.393 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.372 -2.225 5.777 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -15.190 -0.766 4.909 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.238 -3.367 5.677 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -16.063 -1.906 4.812 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.585 -3.208 5.198 1.00 0.00 C ATOM 0 H PHE A 68 -10.364 1.599 4.812 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.226 -0.790 6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -13.173 0.814 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -13.154 0.953 4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.363 -2.346 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -15.547 0.210 4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -13.878 -4.345 5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.074 -1.785 4.451 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.238 -4.065 5.128 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.876 -2.112 4.309 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.548 -2.924 3.148 1.00 0.00 C ATOM 1087 C LEU A 69 -11.799 -3.666 2.660 1.00 0.00 C ATOM 1088 O LEU A 69 -12.421 -3.302 1.668 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.479 -3.967 3.494 1.00 0.00 C ATOM 1090 CG LEU A 69 -8.135 -3.358 3.896 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.279 -4.397 4.621 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -7.362 -2.831 2.692 1.00 0.00 C ATOM 0 H LEU A 69 -10.940 -2.620 5.191 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.170 -2.258 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.844 -4.592 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.330 -4.620 2.634 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.350 -2.520 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.325 -3.951 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.799 -4.735 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.102 -5.247 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.414 -2.408 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.170 -3.648 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.948 -2.060 2.192 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.093 -4.753 3.402 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.113 -5.661 2.909 1.00 0.00 C ATOM 1106 C TRP A 70 -14.245 -5.845 3.927 1.00 0.00 C ATOM 1107 O TRP A 70 -15.377 -5.434 3.703 1.00 0.00 O ATOM 1108 CB TRP A 70 -12.486 -7.020 2.595 1.00 0.00 C ATOM 1109 CG TRP A 70 -11.429 -6.862 1.527 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -11.464 -5.960 0.458 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -10.199 -7.602 1.406 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -10.349 -6.095 -0.304 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -9.527 -7.085 0.219 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -9.606 -8.635 2.170 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -8.275 -7.615 -0.177 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -8.330 -9.178 1.772 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -7.664 -8.669 0.598 1.00 0.00 C ATOM 0 H TRP A 70 -11.661 -5.003 4.291 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.538 -5.226 2.004 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -12.044 -7.444 3.497 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -13.254 -7.716 2.259 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.262 -5.258 0.267 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -10.144 -5.548 -1.140 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -10.107 -9.016 3.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.779 -7.232 -1.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.873 -9.966 2.353 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.709 -9.076 0.299 1.00 0.00 H new ATOM 1128 N VAL A 71 -13.881 -6.522 5.034 1.00 0.00 N ATOM 1129 CA VAL A 71 -14.931 -6.913 5.960 1.00 0.00 C ATOM 1130 C VAL A 71 -14.866 -6.091 7.251 1.00 0.00 C ATOM 1131 O VAL A 71 -15.878 -5.654 7.785 1.00 0.00 O ATOM 1132 CB VAL A 71 -14.799 -8.402 6.285 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -15.895 -8.846 7.253 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -14.830 -9.241 5.007 1.00 0.00 C ATOM 0 H VAL A 71 -12.930 -6.790 5.288 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.894 -6.723 5.487 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.836 -8.559 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -15.781 -9.908 7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.815 -8.276 8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.872 -8.671 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.735 -10.296 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -15.774 -9.077 4.487 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.004 -8.948 4.359 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.615 -5.908 7.712 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.450 -5.153 8.941 1.00 0.00 C ATOM 1146 C VAL A 72 -12.690 -3.855 8.658 1.00 0.00 C ATOM 1147 O VAL A 72 -11.772 -3.808 7.850 1.00 0.00 O ATOM 1148 CB VAL A 72 -12.691 -5.996 9.967 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -13.467 -7.271 10.304 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -11.286 -6.331 9.466 1.00 0.00 C ATOM 0 H VAL A 72 -12.760 -6.253 7.276 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.432 -4.904 9.344 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.592 -5.408 10.880 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.908 -7.855 11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.440 -7.006 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.607 -7.862 9.399 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.767 -6.931 10.213 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.356 -6.893 8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.732 -5.408 9.292 1.00 0.00 H new ATOM 1160 N LYS A 73 -13.143 -2.810 9.376 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.492 -1.524 9.205 1.00 0.00 C ATOM 1162 C LYS A 73 -11.226 -1.473 10.062 1.00 0.00 C ATOM 1163 O LYS A 73 -10.780 -2.475 10.609 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.452 -0.406 9.608 1.00 0.00 C ATOM 1165 CG LYS A 73 -13.793 -0.467 11.097 1.00 0.00 C ATOM 1166 CD LYS A 73 -14.876 0.533 11.484 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.222 0.122 10.896 1.00 0.00 C ATOM 1168 NZ LYS A 73 -16.729 -1.113 11.482 1.00 0.00 N ATOM 0 H LYS A 73 -13.915 -2.836 10.042 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.215 -1.390 8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.004 0.560 9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.367 -0.482 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.124 -1.474 11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.894 -0.270 11.682 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.951 0.594 12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.605 1.527 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.945 0.921 11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.121 -0.005 9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.745 -1.202 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.222 -1.924 11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.583 -1.094 12.511 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.678 -0.246 10.142 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.438 -0.115 10.889 1.00 0.00 C ATOM 1184 C PHE A 74 -9.366 1.286 11.485 1.00 0.00 C ATOM 1185 O PHE A 74 -9.690 2.278 10.844 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.197 -0.371 10.017 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.338 -1.616 9.190 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -9.150 -1.614 8.000 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -7.694 -2.829 9.606 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -9.339 -2.829 7.251 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -7.878 -4.045 8.862 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.709 -4.046 7.688 1.00 0.00 C ATOM 0 H PHE A 74 -11.051 0.608 9.726 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.439 -0.870 11.675 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.033 0.484 9.361 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.317 -0.457 10.655 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.618 -0.699 7.669 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.066 -2.828 10.485 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.953 -2.827 6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.394 -4.955 9.184 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.860 -4.961 7.134 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.938 1.296 12.757 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.889 2.588 13.412 1.00 0.00 C ATOM 1204 C ASN A 75 -7.505 3.213 13.228 1.00 0.00 C ATOM 1205 O ASN A 75 -6.890 3.708 14.164 1.00 0.00 O ATOM 1206 CB ASN A 75 -9.260 2.447 14.888 1.00 0.00 C ATOM 1207 CG ASN A 75 -9.397 3.827 15.537 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -8.450 4.598 15.634 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -10.645 4.075 15.976 1.00 0.00 N ATOM 0 H ASN A 75 -8.645 0.489 13.307 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.619 3.256 12.955 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.197 1.898 14.983 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.497 1.868 15.408 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.859 4.963 16.430 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.377 3.375 15.854 1.00 0.00 H new ATOM 1216 N SER A 76 -7.087 3.150 11.947 1.00 0.00 N ATOM 1217 CA SER A 76 -5.839 3.759 11.514 1.00 0.00 C ATOM 1218 C SER A 76 -5.161 2.839 10.499 1.00 0.00 C ATOM 1219 O SER A 76 -5.203 1.620 10.605 1.00 0.00 O ATOM 1220 CB SER A 76 -4.889 4.014 12.687 1.00 0.00 C ATOM 1221 OG SER A 76 -4.730 2.856 13.465 1.00 0.00 O ATOM 0 H SER A 76 -7.604 2.681 11.204 1.00 0.00 H new ATOM 0 HA SER A 76 -6.072 4.723 11.062 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.919 4.340 12.310 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.278 4.822 13.306 1.00 0.00 H new ATOM 0 HG SER A 76 -5.288 2.922 14.268 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.532 3.505 9.513 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.779 2.716 8.556 1.00 0.00 C ATOM 1229 C LEU A 77 -2.893 1.712 9.300 1.00 0.00 C ATOM 1230 O LEU A 77 -2.804 0.544 8.943 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.911 3.625 7.686 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.746 4.598 6.853 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.843 5.543 6.062 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.681 3.835 5.914 1.00 0.00 C ATOM 0 H LEU A 77 -4.532 4.515 9.371 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.477 2.178 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.227 4.188 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.299 3.014 7.022 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.354 5.196 7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.457 6.227 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.221 6.114 6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.206 4.963 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.267 4.544 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.092 3.210 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.351 3.206 6.500 1.00 0.00 H new ATOM 1246 N ASN A 78 -2.254 2.246 10.358 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.403 1.383 11.155 1.00 0.00 C ATOM 1248 C ASN A 78 -2.187 0.193 11.717 1.00 0.00 C ATOM 1249 O ASN A 78 -1.660 -0.904 11.857 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.831 2.173 12.326 1.00 0.00 C ATOM 1251 CG ASN A 78 0.145 1.300 13.117 1.00 0.00 C ATOM 1252 OD1 ASN A 78 -0.242 0.471 13.931 1.00 0.00 O ATOM 1253 ND2 ASN A 78 1.433 1.554 12.826 1.00 0.00 N ATOM 0 H ASN A 78 -2.312 3.219 10.659 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.607 1.012 10.510 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.321 3.064 11.960 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.638 2.512 12.976 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.174 1.037 13.299 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.669 2.264 12.132 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.464 0.470 12.043 1.00 0.00 N ATOM 1261 CA GLU A 79 -4.240 -0.630 12.590 1.00 0.00 C ATOM 1262 C GLU A 79 -4.395 -1.782 11.570 1.00 0.00 C ATOM 1263 O GLU A 79 -4.576 -2.938 11.934 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.615 -0.110 13.010 1.00 0.00 C ATOM 1265 CG GLU A 79 -6.406 -1.151 13.802 1.00 0.00 C ATOM 1266 CD GLU A 79 -5.671 -1.479 15.103 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -4.710 -0.781 15.426 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -6.067 -2.426 15.779 1.00 0.00 O ATOM 0 H GLU A 79 -3.938 1.368 11.945 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.711 -1.030 13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.493 0.789 13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.180 0.176 12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.404 -0.772 14.023 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.533 -2.055 13.207 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.313 -1.387 10.284 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.468 -2.319 9.188 1.00 0.00 C ATOM 1277 C LEU A 80 -3.120 -2.976 8.891 1.00 0.00 C ATOM 1278 O LEU A 80 -2.959 -4.189 8.945 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.967 -1.502 7.998 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.364 -2.327 6.778 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.274 -1.473 5.903 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.147 -2.790 5.976 1.00 0.00 C ATOM 0 H LEU A 80 -4.140 -0.424 9.995 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.174 -3.117 9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.827 -0.912 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.187 -0.799 7.706 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.881 -3.226 7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.572 -2.043 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.161 -1.190 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.741 -0.575 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.478 -3.374 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.587 -1.921 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.507 -3.406 6.608 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.166 -2.077 8.598 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.804 -2.536 8.409 1.00 0.00 C ATOM 1296 C VAL A 81 -0.361 -3.449 9.566 1.00 0.00 C ATOM 1297 O VAL A 81 0.399 -4.390 9.379 1.00 0.00 O ATOM 1298 CB VAL A 81 0.120 -1.320 8.321 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.578 -1.752 8.156 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.307 -0.404 7.173 1.00 0.00 C ATOM 0 H VAL A 81 -2.313 -1.073 8.493 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.751 -3.115 7.487 1.00 0.00 H new ATOM 0 HB VAL A 81 0.038 -0.763 9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.214 -0.869 8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.877 -2.357 9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.683 -2.338 7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.361 0.456 7.126 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.260 -0.953 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.328 -0.061 7.342 1.00 0.00 H new ATOM 1310 N ASP A 82 -0.878 -3.112 10.766 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.482 -3.873 11.935 1.00 0.00 C ATOM 1312 C ASP A 82 -1.091 -5.278 11.896 1.00 0.00 C ATOM 1313 O ASP A 82 -0.447 -6.266 12.226 1.00 0.00 O ATOM 1314 CB ASP A 82 -0.934 -3.141 13.199 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.485 -3.918 14.439 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.719 -4.045 14.649 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -1.348 -4.385 15.182 1.00 0.00 O ATOM 0 H ASP A 82 -1.538 -2.353 10.933 1.00 0.00 H new ATOM 0 HA ASP A 82 0.604 -3.970 11.941 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.514 -2.135 13.217 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.019 -3.033 13.199 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.367 -5.305 11.469 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.009 -6.600 11.374 1.00 0.00 C ATOM 1324 C TYR A 83 -2.267 -7.462 10.351 1.00 0.00 C ATOM 1325 O TYR A 83 -1.828 -8.569 10.635 1.00 0.00 O ATOM 1326 CB TYR A 83 -4.471 -6.420 10.959 1.00 0.00 C ATOM 1327 CG TYR A 83 -5.317 -5.780 12.026 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -4.740 -5.319 13.266 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.733 -5.628 11.810 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -5.569 -4.720 14.277 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.565 -5.028 12.818 1.00 0.00 C ATOM 1332 CZ TYR A 83 -6.982 -4.575 14.052 1.00 0.00 C ATOM 1333 OH TYR A 83 -7.781 -4.002 15.021 1.00 0.00 O ATOM 0 H TYR A 83 -2.931 -4.497 11.204 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.979 -7.097 12.344 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.513 -5.810 10.057 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.892 -7.393 10.706 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.679 -5.425 13.436 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.173 -5.967 10.884 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.131 -4.380 15.204 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.626 -4.918 12.648 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.229 -3.455 15.619 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.156 -6.873 9.147 1.00 0.00 N ATOM 1344 CA HIS A 84 -1.463 -7.596 8.094 1.00 0.00 C ATOM 1345 C HIS A 84 0.011 -7.853 8.457 1.00 0.00 C ATOM 1346 O HIS A 84 0.600 -8.842 8.037 1.00 0.00 O ATOM 1347 CB HIS A 84 -1.544 -6.803 6.787 1.00 0.00 C ATOM 1348 CG HIS A 84 -2.978 -6.730 6.318 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -3.339 -6.342 5.074 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -4.144 -7.036 7.040 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -4.681 -6.411 5.043 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -5.195 -6.826 6.215 1.00 0.00 N ATOM 0 H HIS A 84 -2.517 -5.952 8.897 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.950 -8.563 7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.149 -5.798 6.936 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.927 -7.278 6.024 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.192 -7.376 8.064 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.277 -6.162 4.178 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.182 -6.956 6.437 1.00 0.00 H new ATOM 1360 N ARG A 85 0.565 -6.916 9.252 1.00 0.00 N ATOM 1361 CA ARG A 85 1.959 -7.051 9.640 1.00 0.00 C ATOM 1362 C ARG A 85 2.326 -8.519 9.900 1.00 0.00 C ATOM 1363 O ARG A 85 3.429 -8.961 9.603 1.00 0.00 O ATOM 1364 CB ARG A 85 2.222 -6.221 10.898 1.00 0.00 C ATOM 1365 CG ARG A 85 3.696 -6.245 11.299 1.00 0.00 C ATOM 1366 CD ARG A 85 4.579 -5.558 10.258 1.00 0.00 C ATOM 1367 NE ARG A 85 5.971 -5.628 10.659 1.00 0.00 N ATOM 1368 CZ ARG A 85 6.683 -6.727 10.345 1.00 0.00 C ATOM 1369 NH1 ARG A 85 6.115 -7.726 9.674 1.00 0.00 N ATOM 1370 NH2 ARG A 85 7.960 -6.815 10.707 1.00 0.00 N ATOM 0 H ARG A 85 0.083 -6.095 9.619 1.00 0.00 H new ATOM 0 HA ARG A 85 2.579 -6.688 8.820 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.910 -5.191 10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.616 -6.604 11.719 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.819 -5.751 12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.021 -7.278 11.427 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.448 -6.036 9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.277 -4.517 10.144 1.00 0.00 H new ATOM 0 HE ARG A 85 6.403 -4.858 11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.136 -7.661 9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.659 -8.556 9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.398 -6.051 11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.501 -7.647 10.470 1.00 0.00 H new ATOM 1384 N SER A 86 1.342 -9.240 10.468 1.00 0.00 N ATOM 1385 CA SER A 86 1.618 -10.629 10.782 1.00 0.00 C ATOM 1386 C SER A 86 0.341 -11.465 10.670 1.00 0.00 C ATOM 1387 O SER A 86 0.053 -12.317 11.502 1.00 0.00 O ATOM 1388 CB SER A 86 2.189 -10.732 12.197 1.00 0.00 C ATOM 1389 OG SER A 86 1.262 -10.259 13.141 1.00 0.00 O ATOM 0 H SER A 86 0.409 -8.901 10.702 1.00 0.00 H new ATOM 0 HA SER A 86 2.348 -11.014 10.070 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.444 -11.769 12.417 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.112 -10.156 12.265 1.00 0.00 H new ATOM 0 HG SER A 86 1.644 -10.334 14.040 1.00 0.00 H new ATOM 1395 N THR A 87 -0.403 -11.165 9.589 1.00 0.00 N ATOM 1396 CA THR A 87 -1.626 -11.918 9.378 1.00 0.00 C ATOM 1397 C THR A 87 -1.714 -12.404 7.926 1.00 0.00 C ATOM 1398 O THR A 87 -2.099 -13.537 7.661 1.00 0.00 O ATOM 1399 CB THR A 87 -2.839 -11.052 9.719 1.00 0.00 C ATOM 1400 OG1 THR A 87 -2.763 -10.652 11.064 1.00 0.00 O ATOM 1401 CG2 THR A 87 -4.154 -11.796 9.486 1.00 0.00 C ATOM 0 H THR A 87 -0.188 -10.450 8.894 1.00 0.00 H new ATOM 0 HA THR A 87 -1.617 -12.789 10.034 1.00 0.00 H new ATOM 0 HB THR A 87 -2.825 -10.183 9.061 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.575 -9.691 11.109 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.990 -11.145 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.227 -12.087 8.438 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.184 -12.687 10.113 1.00 0.00 H new ATOM 1409 N SER A 88 -1.326 -11.471 7.030 1.00 0.00 N ATOM 1410 CA SER A 88 -1.324 -11.717 5.594 1.00 0.00 C ATOM 1411 C SER A 88 -2.422 -10.886 4.927 1.00 0.00 C ATOM 1412 O SER A 88 -3.489 -10.663 5.483 1.00 0.00 O ATOM 1413 CB SER A 88 -1.525 -13.195 5.256 1.00 0.00 C ATOM 1414 OG SER A 88 -1.395 -13.404 3.873 1.00 0.00 O ATOM 0 H SER A 88 -1.010 -10.537 7.291 1.00 0.00 H new ATOM 0 HA SER A 88 -0.345 -11.424 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.793 -13.800 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.511 -13.520 5.588 1.00 0.00 H new ATOM 0 HG SER A 88 -2.144 -13.949 3.553 1.00 0.00 H new ATOM 1420 N VAL A 89 -2.083 -10.445 3.703 1.00 0.00 N ATOM 1421 CA VAL A 89 -3.081 -9.683 2.967 1.00 0.00 C ATOM 1422 C VAL A 89 -3.947 -10.579 2.062 1.00 0.00 C ATOM 1423 O VAL A 89 -4.511 -10.114 1.081 1.00 0.00 O ATOM 1424 CB VAL A 89 -2.374 -8.665 2.076 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -1.293 -7.932 2.858 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -1.758 -9.347 0.855 1.00 0.00 C ATOM 0 H VAL A 89 -1.188 -10.593 3.236 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.727 -9.200 3.700 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.116 -7.943 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.799 -7.210 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.745 -7.410 3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.560 -8.650 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.260 -8.602 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.032 -10.091 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.542 -9.835 0.276 1.00 0.00 H new ATOM 1436 N SER A 90 -3.988 -11.879 2.411 1.00 0.00 N ATOM 1437 CA SER A 90 -4.493 -12.813 1.431 1.00 0.00 C ATOM 1438 C SER A 90 -4.234 -14.242 1.913 1.00 0.00 C ATOM 1439 O SER A 90 -3.120 -14.621 2.256 1.00 0.00 O ATOM 1440 CB SER A 90 -3.764 -12.549 0.113 1.00 0.00 C ATOM 1441 OG SER A 90 -3.916 -13.629 -0.771 1.00 0.00 O ATOM 0 H SER A 90 -3.696 -12.272 3.306 1.00 0.00 H new ATOM 0 HA SER A 90 -5.567 -12.689 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.154 -11.641 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.705 -12.379 0.307 1.00 0.00 H new ATOM 0 HG SER A 90 -3.142 -14.225 -0.695 1.00 0.00 H new ATOM 1447 N ARG A 91 -5.347 -14.997 1.926 1.00 0.00 N ATOM 1448 CA ARG A 91 -5.263 -16.357 2.430 1.00 0.00 C ATOM 1449 C ARG A 91 -4.395 -17.249 1.527 1.00 0.00 C ATOM 1450 O ARG A 91 -3.756 -18.186 1.992 1.00 0.00 O ATOM 1451 CB ARG A 91 -6.673 -16.941 2.536 1.00 0.00 C ATOM 1452 CG ARG A 91 -7.574 -16.086 3.429 1.00 0.00 C ATOM 1453 CD ARG A 91 -8.989 -16.656 3.524 1.00 0.00 C ATOM 1454 NE ARG A 91 -9.810 -15.812 4.372 1.00 0.00 N ATOM 1455 CZ ARG A 91 -9.775 -16.003 5.705 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -9.002 -16.951 6.227 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -10.516 -15.239 6.503 1.00 0.00 N ATOM 0 H ARG A 91 -6.269 -14.698 1.607 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.792 -16.328 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -7.112 -17.015 1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.618 -17.953 2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.141 -16.022 4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.617 -15.071 3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.430 -16.724 2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.956 -17.668 3.928 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.403 -15.088 3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.432 -17.537 5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.979 -17.092 7.237 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.109 -14.511 6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.491 -15.382 7.513 1.00 0.00 H new ATOM 1471 N ASN A 92 -4.411 -16.915 0.223 1.00 0.00 N ATOM 1472 CA ASN A 92 -3.668 -17.758 -0.699 1.00 0.00 C ATOM 1473 C ASN A 92 -2.220 -17.988 -0.225 1.00 0.00 C ATOM 1474 O ASN A 92 -1.623 -19.020 -0.505 1.00 0.00 O ATOM 1475 CB ASN A 92 -3.700 -17.150 -2.104 1.00 0.00 C ATOM 1476 CG ASN A 92 -3.192 -15.707 -2.086 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -2.387 -15.311 -1.254 1.00 0.00 O ATOM 1478 ND2 ASN A 92 -3.735 -14.951 -3.059 1.00 0.00 N ATOM 0 H ASN A 92 -4.900 -16.119 -0.186 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.149 -18.736 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.086 -17.748 -2.777 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.718 -17.177 -2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.481 -13.967 -3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.401 -15.363 -3.713 1.00 0.00 H new ATOM 1485 N GLN A 93 -1.700 -16.987 0.512 1.00 0.00 N ATOM 1486 CA GLN A 93 -0.364 -17.145 1.051 1.00 0.00 C ATOM 1487 C GLN A 93 -0.090 -16.013 2.040 1.00 0.00 C ATOM 1488 O GLN A 93 -0.576 -14.898 1.895 1.00 0.00 O ATOM 1489 CB GLN A 93 0.671 -17.138 -0.073 1.00 0.00 C ATOM 1490 CG GLN A 93 0.709 -15.805 -0.822 1.00 0.00 C ATOM 1491 CD GLN A 93 1.793 -15.848 -1.901 1.00 0.00 C ATOM 1492 OE1 GLN A 93 1.610 -15.389 -3.021 1.00 0.00 O ATOM 1493 NE2 GLN A 93 2.927 -16.439 -1.482 1.00 0.00 N ATOM 0 H GLN A 93 -2.168 -16.108 0.732 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.291 -18.102 1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.657 -17.346 0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.446 -17.940 -0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.261 -15.605 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.909 -14.991 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.994 -16.795 -0.528 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.719 -16.531 -2.118 1.00 0.00 H new ATOM 1502 N GLN A 94 0.703 -16.380 3.061 1.00 0.00 N ATOM 1503 CA GLN A 94 0.992 -15.391 4.079 1.00 0.00 C ATOM 1504 C GLN A 94 1.908 -14.305 3.509 1.00 0.00 C ATOM 1505 O GLN A 94 3.007 -14.567 3.033 1.00 0.00 O ATOM 1506 CB GLN A 94 1.623 -16.060 5.296 1.00 0.00 C ATOM 1507 CG GLN A 94 3.017 -16.618 5.007 1.00 0.00 C ATOM 1508 CD GLN A 94 2.945 -17.733 3.962 1.00 0.00 C ATOM 1509 OE1 GLN A 94 2.029 -18.546 3.942 1.00 0.00 O ATOM 1510 NE2 GLN A 94 3.973 -17.705 3.093 1.00 0.00 N ATOM 0 H GLN A 94 1.127 -17.299 3.191 1.00 0.00 H new ATOM 0 HA GLN A 94 0.062 -14.919 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.687 -15.338 6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.976 -16.868 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.667 -15.819 4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.459 -17.002 5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.696 -16.991 3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.029 -18.398 2.346 1.00 0.00 H new ATOM 1519 N ILE A 95 1.372 -13.073 3.587 1.00 0.00 N ATOM 1520 CA ILE A 95 2.127 -11.959 3.045 1.00 0.00 C ATOM 1521 C ILE A 95 2.369 -10.913 4.136 1.00 0.00 C ATOM 1522 O ILE A 95 1.447 -10.319 4.683 1.00 0.00 O ATOM 1523 CB ILE A 95 1.364 -11.343 1.872 1.00 0.00 C ATOM 1524 CG1 ILE A 95 1.145 -12.385 0.776 1.00 0.00 C ATOM 1525 CG2 ILE A 95 2.110 -10.128 1.321 1.00 0.00 C ATOM 1526 CD1 ILE A 95 0.386 -11.824 -0.428 1.00 0.00 C ATOM 0 H ILE A 95 0.468 -12.842 3.999 1.00 0.00 H new ATOM 0 HA ILE A 95 3.093 -12.316 2.687 1.00 0.00 H new ATOM 0 HB ILE A 95 0.390 -11.008 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.111 -12.767 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.592 -13.229 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.550 -9.705 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.214 -9.379 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.098 -10.433 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.259 -12.607 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.592 -11.467 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.950 -10.998 -0.861 1.00 0.00 H new ATOM 1538 N PHE A 96 3.674 -10.732 4.405 1.00 0.00 N ATOM 1539 CA PHE A 96 4.043 -9.756 5.412 1.00 0.00 C ATOM 1540 C PHE A 96 4.306 -8.405 4.743 1.00 0.00 C ATOM 1541 O PHE A 96 4.847 -8.321 3.648 1.00 0.00 O ATOM 1542 CB PHE A 96 5.292 -10.228 6.157 1.00 0.00 C ATOM 1543 CG PHE A 96 5.061 -11.554 6.821 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.341 -12.778 6.115 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.560 -11.611 8.171 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.122 -14.049 6.752 1.00 0.00 C ATOM 1547 CE2 PHE A 96 4.340 -12.882 8.810 1.00 0.00 C ATOM 1548 CZ PHE A 96 4.621 -14.100 8.099 1.00 0.00 C ATOM 0 H PHE A 96 4.446 -11.226 3.959 1.00 0.00 H new ATOM 0 HA PHE A 96 3.228 -9.646 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.126 -10.308 5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.573 -9.488 6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.717 -12.741 5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.349 -10.697 8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.334 -14.964 6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.964 -12.921 9.822 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.456 -15.054 8.577 1.00 0.00 H new ATOM 1558 N LEU A 97 3.877 -7.360 5.475 1.00 0.00 N ATOM 1559 CA LEU A 97 4.062 -6.031 4.928 1.00 0.00 C ATOM 1560 C LEU A 97 5.417 -5.473 5.368 1.00 0.00 C ATOM 1561 O LEU A 97 5.613 -5.063 6.507 1.00 0.00 O ATOM 1562 CB LEU A 97 2.930 -5.115 5.398 1.00 0.00 C ATOM 1563 CG LEU A 97 1.562 -5.600 4.916 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.449 -4.718 5.484 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.503 -5.617 3.388 1.00 0.00 C ATOM 0 H LEU A 97 3.428 -7.413 6.389 1.00 0.00 H new ATOM 0 HA LEU A 97 4.042 -6.083 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.933 -5.064 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.106 -4.104 5.031 1.00 0.00 H new ATOM 0 HG LEU A 97 1.414 -6.618 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.517 -5.078 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.474 -4.757 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.596 -3.690 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.522 -5.965 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.675 -4.611 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.271 -6.288 3.002 1.00 0.00 H new ATOM 1577 N ARG A 98 6.326 -5.483 4.377 1.00 0.00 N ATOM 1578 CA ARG A 98 7.663 -4.979 4.635 1.00 0.00 C ATOM 1579 C ARG A 98 8.453 -5.004 3.315 1.00 0.00 C ATOM 1580 O ARG A 98 8.070 -4.369 2.341 1.00 0.00 O ATOM 1581 CB ARG A 98 8.304 -5.816 5.748 1.00 0.00 C ATOM 1582 CG ARG A 98 9.598 -5.195 6.281 1.00 0.00 C ATOM 1583 CD ARG A 98 10.234 -6.063 7.368 1.00 0.00 C ATOM 1584 NE ARG A 98 11.457 -5.445 7.846 1.00 0.00 N ATOM 1585 CZ ARG A 98 12.533 -5.428 7.036 1.00 0.00 C ATOM 1586 NH1 ARG A 98 12.468 -5.969 5.821 1.00 0.00 N ATOM 1587 NH2 ARG A 98 13.666 -4.870 7.451 1.00 0.00 N ATOM 0 H ARG A 98 6.159 -5.823 3.430 1.00 0.00 H new ATOM 0 HA ARG A 98 7.651 -3.947 4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.594 -5.928 6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.514 -6.816 5.370 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.304 -5.063 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.388 -4.204 6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.536 -6.194 8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.449 -7.056 6.972 1.00 0.00 H new ATOM 0 HE ARG A 98 11.501 -5.031 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.601 -6.399 5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.286 -5.954 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.719 -4.456 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.482 -4.856 6.839 1.00 0.00 H new ATOM 1601 N ASP A 99 9.550 -5.786 3.351 1.00 0.00 N ATOM 1602 CA ASP A 99 10.344 -6.070 2.166 1.00 0.00 C ATOM 1603 C ASP A 99 10.229 -4.975 1.101 1.00 0.00 C ATOM 1604 O ASP A 99 10.032 -5.251 -0.076 1.00 0.00 O ATOM 1605 CB ASP A 99 9.899 -7.406 1.572 1.00 0.00 C ATOM 1606 CG ASP A 99 10.767 -7.751 0.360 1.00 0.00 C ATOM 1607 OD1 ASP A 99 11.887 -8.220 0.555 1.00 0.00 O ATOM 1608 OD2 ASP A 99 10.311 -7.549 -0.764 1.00 0.00 O ATOM 0 H ASP A 99 9.898 -6.230 4.201 1.00 0.00 H new ATOM 0 HA ASP A 99 11.389 -6.111 2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.978 -8.192 2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.851 -7.352 1.276 1.00 0.00 H new ATOM 1613 N ILE A 100 10.392 -3.726 1.570 1.00 0.00 N ATOM 1614 CA ILE A 100 10.440 -2.652 0.605 1.00 0.00 C ATOM 1615 C ILE A 100 11.595 -1.710 0.964 1.00 0.00 C ATOM 1616 O ILE A 100 12.627 -2.130 1.473 1.00 0.00 O ATOM 1617 CB ILE A 100 9.060 -1.993 0.526 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.874 -1.297 -0.817 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.754 -1.071 1.707 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.505 -0.638 -0.939 1.00 0.00 C ATOM 0 H ILE A 100 10.486 -3.460 2.550 1.00 0.00 H new ATOM 0 HA ILE A 100 10.654 -3.009 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 100 8.324 -2.793 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.651 -0.543 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.999 -2.023 -1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.761 -0.639 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.789 -1.643 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.494 -0.272 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.419 -0.155 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.727 -1.395 -0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.389 0.108 -0.153 1.00 0.00 H new ATOM 1632 N GLU A 101 11.361 -0.424 0.668 1.00 0.00 N ATOM 1633 CA GLU A 101 12.380 0.561 0.954 1.00 0.00 C ATOM 1634 C GLU A 101 12.178 1.108 2.369 1.00 0.00 C ATOM 1635 O GLU A 101 11.411 2.035 2.601 1.00 0.00 O ATOM 1636 CB GLU A 101 12.242 1.682 -0.068 1.00 0.00 C ATOM 1637 CG GLU A 101 12.628 1.224 -1.475 1.00 0.00 C ATOM 1638 CD GLU A 101 14.092 0.779 -1.491 1.00 0.00 C ATOM 1639 OE1 GLU A 101 14.969 1.642 -1.472 1.00 0.00 O ATOM 1640 OE2 GLU A 101 14.340 -0.425 -1.526 1.00 0.00 O ATOM 0 H GLU A 101 10.505 -0.063 0.247 1.00 0.00 H new ATOM 0 HA GLU A 101 13.375 0.119 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.214 2.043 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.873 2.521 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.985 0.402 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.477 2.036 -2.186 1.00 0.00 H new ATOM 1647 N GLN A 102 12.923 0.472 3.291 1.00 0.00 N ATOM 1648 CA GLN A 102 12.800 0.878 4.677 1.00 0.00 C ATOM 1649 C GLN A 102 14.137 0.672 5.393 1.00 0.00 C ATOM 1650 O GLN A 102 15.003 -0.069 4.943 1.00 0.00 O ATOM 1651 CB GLN A 102 11.699 0.051 5.341 1.00 0.00 C ATOM 1652 CG GLN A 102 11.446 0.474 6.790 1.00 0.00 C ATOM 1653 CD GLN A 102 10.274 -0.324 7.366 1.00 0.00 C ATOM 1654 OE1 GLN A 102 10.338 -0.866 8.463 1.00 0.00 O ATOM 1655 NE2 GLN A 102 9.207 -0.358 6.547 1.00 0.00 N ATOM 0 H GLN A 102 13.581 -0.285 3.104 1.00 0.00 H new ATOM 0 HA GLN A 102 12.537 1.934 4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.777 0.153 4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.975 -1.003 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.341 0.306 7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.228 1.541 6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.239 0.123 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.366 -0.864 6.825 1.00 0.00 H new ATOM 1664 N VAL A 103 14.243 1.378 6.534 1.00 0.00 N ATOM 1665 CA VAL A 103 15.465 1.270 7.312 1.00 0.00 C ATOM 1666 C VAL A 103 16.609 1.966 6.562 1.00 0.00 C ATOM 1667 O VAL A 103 16.630 2.040 5.341 1.00 0.00 O ATOM 1668 CB VAL A 103 15.773 -0.210 7.607 1.00 0.00 C ATOM 1669 CG1 VAL A 103 17.218 -0.606 7.280 1.00 0.00 C ATOM 1670 CG2 VAL A 103 15.432 -0.552 9.059 1.00 0.00 C ATOM 0 H VAL A 103 13.528 1.998 6.914 1.00 0.00 H new ATOM 0 HA VAL A 103 15.345 1.770 8.273 1.00 0.00 H new ATOM 0 HB VAL A 103 15.138 -0.796 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 103 17.367 -1.661 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.411 -0.436 6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 103 17.904 -0.003 7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.656 -1.602 9.248 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.024 0.072 9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.372 -0.370 9.236 1.00 0.00 H new ATOM 1680 N PRO A 104 17.559 2.465 7.387 1.00 0.00 N ATOM 1681 CA PRO A 104 18.797 3.076 6.924 1.00 0.00 C ATOM 1682 C PRO A 104 19.388 2.459 5.652 1.00 0.00 C ATOM 1683 O PRO A 104 18.775 2.480 4.592 1.00 0.00 O ATOM 1684 CB PRO A 104 19.716 2.963 8.146 1.00 0.00 C ATOM 1685 CG PRO A 104 18.770 2.980 9.351 1.00 0.00 C ATOM 1686 CD PRO A 104 17.457 2.392 8.837 1.00 0.00 C ATOM 0 HA PRO A 104 18.642 4.104 6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 104 20.302 2.044 8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 104 20.423 3.791 8.187 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.171 2.389 10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.628 3.994 9.726 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.326 1.363 9.173 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.600 2.958 9.202 1.00 0.00 H new ATOM 1694 N GLN A 105 20.623 1.949 5.797 1.00 0.00 N ATOM 1695 CA GLN A 105 21.280 1.595 4.561 1.00 0.00 C ATOM 1696 C GLN A 105 22.629 0.931 4.836 1.00 0.00 C ATOM 1697 O GLN A 105 23.394 1.344 5.700 1.00 0.00 O ATOM 1698 CB GLN A 105 21.453 2.874 3.742 1.00 0.00 C ATOM 1699 CG GLN A 105 22.419 3.853 4.407 1.00 0.00 C ATOM 1700 CD GLN A 105 22.542 5.118 3.556 1.00 0.00 C ATOM 1701 OE1 GLN A 105 22.380 5.100 2.342 1.00 0.00 O ATOM 1702 NE2 GLN A 105 22.826 6.214 4.282 1.00 0.00 N ATOM 0 H GLN A 105 21.131 1.790 6.667 1.00 0.00 H new ATOM 0 HA GLN A 105 20.679 0.875 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 105 21.821 2.621 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.483 3.354 3.611 1.00 0.00 H new ATOM 0 HG2 GLN A 105 22.063 4.108 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 105 23.397 3.388 4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 105 22.945 6.140 5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.922 7.119 3.822 1.00 0.00 H new ATOM 1711 N GLN A 106 22.854 -0.130 4.041 1.00 0.00 N ATOM 1712 CA GLN A 106 24.093 -0.871 4.189 1.00 0.00 C ATOM 1713 C GLN A 106 25.294 -0.042 3.698 1.00 0.00 C ATOM 1714 O GLN A 106 26.154 0.326 4.488 1.00 0.00 O ATOM 1715 CB GLN A 106 23.985 -2.233 3.502 1.00 0.00 C ATOM 1716 CG GLN A 106 22.979 -3.141 4.209 1.00 0.00 C ATOM 1717 CD GLN A 106 22.900 -4.490 3.491 1.00 0.00 C ATOM 1718 OE1 GLN A 106 23.303 -5.524 4.009 1.00 0.00 O ATOM 1719 NE2 GLN A 106 22.350 -4.402 2.267 1.00 0.00 N ATOM 0 H GLN A 106 22.217 -0.474 3.322 1.00 0.00 H new ATOM 0 HA GLN A 106 24.269 -1.064 5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 106 23.684 -2.095 2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 106 24.963 -2.713 3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 106 23.276 -3.289 5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 106 21.997 -2.669 4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 106 22.040 -3.498 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 106 22.243 -5.239 1.695 1.00 0.00 H new ATOM 1728 N PRO A 107 25.336 0.254 2.374 1.00 0.00 N ATOM 1729 CA PRO A 107 26.392 1.098 1.827 1.00 0.00 C ATOM 1730 C PRO A 107 26.460 2.454 2.529 1.00 0.00 C ATOM 1731 O PRO A 107 25.487 3.195 2.599 1.00 0.00 O ATOM 1732 CB PRO A 107 26.026 1.281 0.352 1.00 0.00 C ATOM 1733 CG PRO A 107 24.563 0.845 0.237 1.00 0.00 C ATOM 1734 CD PRO A 107 24.363 -0.162 1.370 1.00 0.00 C ATOM 0 HA PRO A 107 27.372 0.641 1.965 1.00 0.00 H new ATOM 0 HB2 PRO A 107 26.152 2.318 0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 107 26.667 0.677 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 107 23.888 1.695 0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 107 24.361 0.393 -0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 107 23.346 -0.130 1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 107 24.544 -1.183 1.035 1.00 0.00 H new ATOM 1742 N THR A 108 27.680 2.704 3.043 1.00 0.00 N ATOM 1743 CA THR A 108 27.963 3.942 3.754 1.00 0.00 C ATOM 1744 C THR A 108 28.989 3.682 4.865 1.00 0.00 C ATOM 1745 O THR A 108 29.901 4.470 5.086 1.00 0.00 O ATOM 1746 CB THR A 108 26.686 4.546 4.342 1.00 0.00 C ATOM 1747 OG1 THR A 108 26.029 5.312 3.363 1.00 0.00 O ATOM 1748 CG2 THR A 108 26.988 5.447 5.541 1.00 0.00 C ATOM 0 H THR A 108 28.471 2.064 2.974 1.00 0.00 H new ATOM 0 HA THR A 108 28.376 4.658 3.044 1.00 0.00 H new ATOM 0 HB THR A 108 26.056 3.721 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 108 25.563 4.716 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 108 26.057 5.858 5.931 1.00 0.00 H new ATOM 0 HG22 THR A 108 27.482 4.864 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 108 27.641 6.262 5.228 1.00 0.00 H new ATOM 1756 N TYR A 109 28.794 2.532 5.537 1.00 0.00 N ATOM 1757 CA TYR A 109 29.755 2.189 6.568 1.00 0.00 C ATOM 1758 C TYR A 109 31.151 2.100 5.948 1.00 0.00 C ATOM 1759 O TYR A 109 31.404 1.321 5.036 1.00 0.00 O ATOM 1760 CB TYR A 109 29.379 0.855 7.213 1.00 0.00 C ATOM 1761 CG TYR A 109 28.007 0.904 7.817 1.00 0.00 C ATOM 1762 CD1 TYR A 109 27.767 1.663 9.017 1.00 0.00 C ATOM 1763 CD2 TYR A 109 26.918 0.191 7.199 1.00 0.00 C ATOM 1764 CE1 TYR A 109 26.451 1.709 9.597 1.00 0.00 C ATOM 1765 CE2 TYR A 109 25.601 0.234 7.777 1.00 0.00 C ATOM 1766 CZ TYR A 109 25.369 0.993 8.976 1.00 0.00 C ATOM 1767 OH TYR A 109 24.106 1.035 9.532 1.00 0.00 O ATOM 0 H TYR A 109 28.030 1.872 5.391 1.00 0.00 H new ATOM 0 HA TYR A 109 29.751 2.960 7.339 1.00 0.00 H new ATOM 0 HB2 TYR A 109 29.420 0.063 6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 109 30.108 0.604 7.983 1.00 0.00 H new ATOM 0 HD1 TYR A 109 28.579 2.201 9.484 1.00 0.00 H new ATOM 0 HD2 TYR A 109 27.091 -0.378 6.298 1.00 0.00 H new ATOM 0 HE1 TYR A 109 26.276 2.280 10.497 1.00 0.00 H new ATOM 0 HE2 TYR A 109 24.788 -0.303 7.311 1.00 0.00 H new ATOM 0 HH TYR A 109 23.491 0.499 8.989 1.00 0.00 H new ATOM 1777 N VAL A 110 32.033 2.954 6.499 1.00 0.00 N ATOM 1778 CA VAL A 110 33.375 2.989 5.952 1.00 0.00 C ATOM 1779 C VAL A 110 34.400 3.112 7.082 1.00 0.00 C ATOM 1780 O VAL A 110 34.328 3.993 7.929 1.00 0.00 O ATOM 1781 CB VAL A 110 33.506 4.169 4.990 1.00 0.00 C ATOM 1782 CG1 VAL A 110 33.218 5.482 5.716 1.00 0.00 C ATOM 1783 CG2 VAL A 110 34.892 4.197 4.345 1.00 0.00 C ATOM 0 H VAL A 110 31.846 3.588 7.276 1.00 0.00 H new ATOM 0 HA VAL A 110 33.565 2.063 5.409 1.00 0.00 H new ATOM 0 HB VAL A 110 32.770 4.046 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 110 33.315 6.313 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 110 32.204 5.462 6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 110 33.928 5.610 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 110 34.960 5.046 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 110 35.652 4.292 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 110 35.053 3.273 3.789 1.00 0.00 H new ATOM 1793 N GLN A 111 35.354 2.164 7.028 1.00 0.00 N ATOM 1794 CA GLN A 111 36.400 2.185 8.033 1.00 0.00 C ATOM 1795 C GLN A 111 37.766 2.183 7.343 1.00 0.00 C ATOM 1796 O GLN A 111 38.097 1.295 6.567 1.00 0.00 O ATOM 1797 CB GLN A 111 36.282 0.967 8.952 1.00 0.00 C ATOM 1798 CG GLN A 111 34.988 0.964 9.772 1.00 0.00 C ATOM 1799 CD GLN A 111 33.770 0.815 8.858 1.00 0.00 C ATOM 1800 OE1 GLN A 111 33.842 0.257 7.769 1.00 0.00 O ATOM 1801 NE2 GLN A 111 32.655 1.360 9.375 1.00 0.00 N ATOM 0 H GLN A 111 35.414 1.418 6.335 1.00 0.00 H new ATOM 0 HA GLN A 111 36.295 3.087 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 111 36.328 0.059 8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 111 37.136 0.945 9.629 1.00 0.00 H new ATOM 0 HG2 GLN A 111 35.010 0.147 10.493 1.00 0.00 H new ATOM 0 HG3 GLN A 111 34.910 1.890 10.342 1.00 0.00 H new ATOM 0 HE21 GLN A 111 32.683 1.807 10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.781 1.327 8.851 1.00 0.00 H new ATOM 1810 N ALA A 112 38.528 3.238 7.681 1.00 0.00 N ATOM 1811 CA ALA A 112 39.846 3.343 7.085 1.00 0.00 C ATOM 1812 C ALA A 112 40.733 4.243 7.949 1.00 0.00 C ATOM 1813 O ALA A 112 41.742 3.758 8.458 1.00 0.00 O ATOM 1814 CB ALA A 112 39.730 3.916 5.672 1.00 0.00 C ATOM 1815 OXT ALA A 112 40.404 5.418 8.102 1.00 0.00 O ATOM 0 H ALA A 112 38.265 3.983 8.326 1.00 0.00 H new ATOM 0 HA ALA A 112 40.297 2.352 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 112 40.723 3.993 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 112 39.110 3.259 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 112 39.275 4.905 5.717 1.00 0.00 H new TER 1821 ALA A 112