USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 530 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 36 HIS : no HE2:sc= -5.49! C(o=-10!,f=-17!) USER MOD Set 1.2: A 60 TYR OH : rot 15:sc= -5! USER MOD Single : A 13 LYS NZ :NH3+ -154:sc= -1.57 (180deg=-2.18) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0715 USER MOD Single : A 18 SER OG : rot -66:sc= 0.891 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 23 MET CE :methyl -160:sc= -0.24 (180deg=-1.02) USER MOD Single : A 28 MET CE :methyl 180:sc= -0.0771 (180deg=-0.0771) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.96! X(o=-3!,f=-2.8) USER MOD Single : A 42 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.73) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -111:sc= -1.67 (180deg=-4.22!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.0851 (180deg=-0.691) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -171:sc= 0 (180deg=-0.0585) USER MOD Single : A 64 SER OG : rot -80:sc= 0.929 USER MOD Single : A 65 MET CE :methyl -112:sc= -0.455 (180deg=-4.66!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.8) USER MOD Single : A 76 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.0027) USER MOD Single : A 80 SER OG : rot -47:sc= 0.065 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 13 9.344 0.967 -8.236 1.00 0.00 N ATOM 2 CA LYS A 13 8.226 1.624 -8.969 1.00 0.00 C ATOM 3 C LYS A 13 6.899 1.003 -8.527 1.00 0.00 C ATOM 4 O LYS A 13 5.879 1.663 -8.478 1.00 0.00 O ATOM 5 CB LYS A 13 8.412 1.418 -10.474 1.00 0.00 C ATOM 6 CG LYS A 13 7.501 2.381 -11.240 1.00 0.00 C ATOM 7 CD LYS A 13 7.633 2.139 -12.750 1.00 0.00 C ATOM 8 CE LYS A 13 9.087 2.351 -13.199 1.00 0.00 C ATOM 9 NZ LYS A 13 9.706 3.451 -12.409 1.00 0.00 N ATOM 0 HA LYS A 13 8.221 2.691 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.453 1.589 -10.749 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.177 0.388 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.466 2.240 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.767 3.411 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.315 1.125 -12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.975 2.818 -13.293 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.656 1.431 -13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.117 2.593 -14.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.472 3.886 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.986 4.169 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.093 3.067 -11.523 1.00 0.00 H new ATOM 23 N SER A 14 6.907 -0.260 -8.200 1.00 0.00 N ATOM 24 CA SER A 14 5.649 -0.926 -7.756 1.00 0.00 C ATOM 25 C SER A 14 5.393 -0.581 -6.292 1.00 0.00 C ATOM 26 O SER A 14 6.268 -0.102 -5.597 1.00 0.00 O ATOM 27 CB SER A 14 5.796 -2.443 -7.895 1.00 0.00 C ATOM 28 OG SER A 14 6.372 -2.748 -9.154 1.00 0.00 O ATOM 0 H SER A 14 7.731 -0.861 -8.221 1.00 0.00 H new ATOM 0 HA SER A 14 4.817 -0.583 -8.371 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.422 -2.834 -7.092 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.822 -2.924 -7.803 1.00 0.00 H new ATOM 0 HG SER A 14 6.468 -3.719 -9.243 1.00 0.00 H new ATOM 34 N ILE A 15 4.197 -0.819 -5.818 1.00 0.00 N ATOM 35 CA ILE A 15 3.865 -0.510 -4.394 1.00 0.00 C ATOM 36 C ILE A 15 3.188 -1.730 -3.769 1.00 0.00 C ATOM 37 O ILE A 15 2.257 -2.285 -4.320 1.00 0.00 O ATOM 38 CB ILE A 15 2.911 0.686 -4.347 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.566 1.886 -5.038 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.620 1.046 -2.888 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.533 3.000 -5.215 1.00 0.00 C ATOM 0 H ILE A 15 3.430 -1.217 -6.360 1.00 0.00 H new ATOM 0 HA ILE A 15 4.773 -0.270 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 15 1.982 0.430 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.407 2.246 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.964 1.588 -6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.941 1.898 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.160 0.194 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.552 1.303 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.999 3.854 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.707 2.636 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.156 3.305 -4.239 1.00 0.00 H new ATOM 53 N TRP A 16 3.648 -2.157 -2.622 1.00 0.00 N ATOM 54 CA TRP A 16 3.034 -3.345 -1.953 1.00 0.00 C ATOM 55 C TRP A 16 2.977 -3.083 -0.447 1.00 0.00 C ATOM 56 O TRP A 16 3.944 -2.645 0.145 1.00 0.00 O ATOM 57 CB TRP A 16 3.900 -4.582 -2.214 1.00 0.00 C ATOM 58 CG TRP A 16 4.034 -4.817 -3.688 1.00 0.00 C ATOM 59 CD1 TRP A 16 4.760 -4.050 -4.536 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.457 -5.883 -4.498 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.660 -4.574 -5.811 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.868 -5.704 -5.840 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.623 -6.977 -4.203 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.468 -6.577 -6.852 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.220 -7.858 -5.218 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.642 -7.659 -6.540 1.00 0.00 C ATOM 0 H TRP A 16 4.426 -1.733 -2.117 1.00 0.00 H new ATOM 0 HA TRP A 16 2.031 -3.514 -2.345 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.886 -4.446 -1.769 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.453 -5.455 -1.738 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.325 -3.172 -4.261 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.116 -4.174 -6.631 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.291 -7.140 -3.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.795 -6.417 -7.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.581 -8.695 -4.979 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.329 -8.342 -7.316 1.00 0.00 H new ATOM 77 N CYS A 17 1.853 -3.343 0.179 1.00 0.00 N ATOM 78 CA CYS A 17 1.726 -3.107 1.655 1.00 0.00 C ATOM 79 C CYS A 17 1.152 -4.355 2.336 1.00 0.00 C ATOM 80 O CYS A 17 0.266 -5.005 1.819 1.00 0.00 O ATOM 81 CB CYS A 17 0.798 -1.916 1.891 1.00 0.00 C ATOM 82 SG CYS A 17 1.511 -0.443 1.118 1.00 0.00 S ATOM 0 H CYS A 17 1.014 -3.710 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 17 2.709 -2.897 2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.188 -2.120 1.473 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.663 -1.751 2.960 1.00 0.00 H new ATOM 0 HG CYS A 17 0.725 0.574 1.314 1.00 0.00 H new ATOM 88 N SER A 18 1.659 -4.697 3.494 1.00 0.00 N ATOM 89 CA SER A 18 1.158 -5.907 4.213 1.00 0.00 C ATOM 90 C SER A 18 -0.218 -5.604 4.834 1.00 0.00 C ATOM 91 O SER A 18 -0.612 -4.458 4.924 1.00 0.00 O ATOM 92 CB SER A 18 2.155 -6.280 5.317 1.00 0.00 C ATOM 93 OG SER A 18 1.764 -5.662 6.536 1.00 0.00 O ATOM 0 H SER A 18 2.401 -4.188 3.974 1.00 0.00 H new ATOM 0 HA SER A 18 1.058 -6.738 3.514 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.190 -7.362 5.440 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.159 -5.959 5.039 1.00 0.00 H new ATOM 0 HG SER A 18 1.852 -4.690 6.453 1.00 0.00 H new ATOM 99 N PRO A 19 -0.957 -6.613 5.259 1.00 0.00 N ATOM 100 CA PRO A 19 -2.309 -6.401 5.869 1.00 0.00 C ATOM 101 C PRO A 19 -2.271 -5.462 7.086 1.00 0.00 C ATOM 102 O PRO A 19 -3.235 -4.783 7.386 1.00 0.00 O ATOM 103 CB PRO A 19 -2.768 -7.809 6.290 1.00 0.00 C ATOM 104 CG PRO A 19 -1.921 -8.768 5.511 1.00 0.00 C ATOM 105 CD PRO A 19 -0.601 -8.048 5.215 1.00 0.00 C ATOM 0 HA PRO A 19 -2.986 -5.922 5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.640 -7.957 7.362 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.826 -7.956 6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.745 -9.680 6.081 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.418 -9.061 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.161 -8.293 5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.202 -8.330 4.241 1.00 0.00 H new ATOM 113 N GLN A 20 -1.178 -5.427 7.798 1.00 0.00 N ATOM 114 CA GLN A 20 -1.108 -4.546 8.997 1.00 0.00 C ATOM 115 C GLN A 20 -1.357 -3.112 8.551 1.00 0.00 C ATOM 116 O GLN A 20 -2.120 -2.385 9.156 1.00 0.00 O ATOM 117 CB GLN A 20 0.285 -4.654 9.630 1.00 0.00 C ATOM 118 CG GLN A 20 0.369 -3.757 10.871 1.00 0.00 C ATOM 119 CD GLN A 20 1.762 -3.875 11.488 1.00 0.00 C ATOM 120 OE1 GLN A 20 2.757 -3.733 10.805 1.00 0.00 O ATOM 121 NE2 GLN A 20 1.879 -4.139 12.762 1.00 0.00 N ATOM 0 H GLN A 20 -0.335 -5.967 7.603 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.856 -4.846 9.731 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.489 -5.689 9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.046 -4.360 8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.166 -2.721 10.599 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.389 -4.050 11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.045 -4.258 13.337 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.804 -4.226 13.182 1.00 0.00 H new ATOM 130 N GLU A 21 -0.739 -2.705 7.485 1.00 0.00 N ATOM 131 CA GLU A 21 -0.966 -1.328 6.989 1.00 0.00 C ATOM 132 C GLU A 21 -2.421 -1.197 6.539 1.00 0.00 C ATOM 133 O GLU A 21 -3.067 -0.198 6.778 1.00 0.00 O ATOM 134 CB GLU A 21 -0.040 -1.065 5.805 1.00 0.00 C ATOM 135 CG GLU A 21 1.407 -0.971 6.294 1.00 0.00 C ATOM 136 CD GLU A 21 1.891 -2.353 6.742 1.00 0.00 C ATOM 137 OE1 GLU A 21 1.302 -3.332 6.314 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.843 -2.407 7.502 1.00 0.00 O ATOM 0 H GLU A 21 -0.087 -3.266 6.936 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.760 -0.606 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.135 -1.866 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.326 -0.139 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.047 -0.592 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.476 -0.265 7.121 1.00 0.00 H new ATOM 145 N ILE A 22 -2.944 -2.203 5.888 1.00 0.00 N ATOM 146 CA ILE A 22 -4.357 -2.128 5.427 1.00 0.00 C ATOM 147 C ILE A 22 -5.312 -2.206 6.627 1.00 0.00 C ATOM 148 O ILE A 22 -6.172 -1.364 6.783 1.00 0.00 O ATOM 149 CB ILE A 22 -4.648 -3.258 4.433 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.711 -3.111 3.226 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.105 -3.172 3.958 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.786 -4.353 2.319 1.00 0.00 C ATOM 0 H ILE A 22 -2.455 -3.068 5.658 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.514 -1.174 4.923 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.487 -4.221 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.982 -2.222 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.687 -2.968 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.306 -3.978 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.773 -3.265 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.273 -2.212 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.113 -4.225 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.491 -5.236 2.886 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.807 -4.478 1.957 1.00 0.00 H new ATOM 164 N MET A 23 -5.196 -3.203 7.476 1.00 0.00 N ATOM 165 CA MET A 23 -6.136 -3.288 8.636 1.00 0.00 C ATOM 166 C MET A 23 -6.149 -1.955 9.389 1.00 0.00 C ATOM 167 O MET A 23 -7.082 -1.648 10.102 1.00 0.00 O ATOM 168 CB MET A 23 -5.692 -4.390 9.606 1.00 0.00 C ATOM 169 CG MET A 23 -5.902 -5.775 8.984 1.00 0.00 C ATOM 170 SD MET A 23 -5.903 -7.023 10.298 1.00 0.00 S ATOM 171 CE MET A 23 -4.217 -6.754 10.889 1.00 0.00 C ATOM 0 H MET A 23 -4.502 -3.949 7.416 1.00 0.00 H new ATOM 0 HA MET A 23 -7.131 -3.517 8.255 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.641 -4.256 9.861 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.257 -4.313 10.535 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.845 -5.803 8.439 1.00 0.00 H new ATOM 0 HG3 MET A 23 -5.111 -5.988 8.264 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.882 -7.630 11.444 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.556 -6.588 10.039 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.195 -5.881 11.542 1.00 0.00 H new ATOM 181 N ALA A 24 -5.125 -1.159 9.243 1.00 0.00 N ATOM 182 CA ALA A 24 -5.096 0.147 9.961 1.00 0.00 C ATOM 183 C ALA A 24 -5.956 1.161 9.203 1.00 0.00 C ATOM 184 O ALA A 24 -6.239 2.237 9.691 1.00 0.00 O ATOM 185 CB ALA A 24 -3.654 0.656 10.042 1.00 0.00 C ATOM 0 H ALA A 24 -4.311 -1.355 8.661 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.489 0.017 10.969 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.634 1.611 10.567 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.043 -0.067 10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.257 0.787 9.035 1.00 0.00 H new ATOM 191 N ALA A 25 -6.386 0.823 8.013 1.00 0.00 N ATOM 192 CA ALA A 25 -7.242 1.763 7.230 1.00 0.00 C ATOM 193 C ALA A 25 -8.700 1.595 7.669 1.00 0.00 C ATOM 194 O ALA A 25 -9.240 0.508 7.647 1.00 0.00 O ATOM 195 CB ALA A 25 -7.113 1.443 5.740 1.00 0.00 C ATOM 0 H ALA A 25 -6.181 -0.063 7.551 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.923 2.790 7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.737 2.128 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.073 1.555 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.437 0.418 5.559 1.00 0.00 H new ATOM 201 N ASP A 26 -9.340 2.657 8.074 1.00 0.00 N ATOM 202 CA ASP A 26 -10.760 2.542 8.526 1.00 0.00 C ATOM 203 C ASP A 26 -11.632 2.008 7.381 1.00 0.00 C ATOM 204 O ASP A 26 -12.522 1.207 7.589 1.00 0.00 O ATOM 205 CB ASP A 26 -11.274 3.920 8.952 1.00 0.00 C ATOM 206 CG ASP A 26 -12.727 3.803 9.420 1.00 0.00 C ATOM 207 OD1 ASP A 26 -13.312 2.751 9.223 1.00 0.00 O ATOM 208 OD2 ASP A 26 -13.231 4.770 9.967 1.00 0.00 O ATOM 0 H ASP A 26 -8.945 3.597 8.112 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.811 1.853 9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.654 4.319 9.755 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.205 4.619 8.118 1.00 0.00 H new ATOM 213 N GLY A 27 -11.393 2.455 6.178 1.00 0.00 N ATOM 214 CA GLY A 27 -12.215 1.989 5.021 1.00 0.00 C ATOM 215 C GLY A 27 -12.180 0.461 4.915 1.00 0.00 C ATOM 216 O GLY A 27 -13.057 -0.143 4.328 1.00 0.00 O ATOM 0 H GLY A 27 -10.661 3.126 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.244 2.327 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.838 2.432 4.099 1.00 0.00 H new ATOM 220 N MET A 28 -11.170 -0.168 5.464 1.00 0.00 N ATOM 221 CA MET A 28 -11.058 -1.664 5.389 1.00 0.00 C ATOM 222 C MET A 28 -11.046 -2.243 6.809 1.00 0.00 C ATOM 223 O MET A 28 -10.004 -2.566 7.343 1.00 0.00 O ATOM 224 CB MET A 28 -9.757 -2.027 4.675 1.00 0.00 C ATOM 225 CG MET A 28 -9.594 -1.129 3.443 1.00 0.00 C ATOM 226 SD MET A 28 -8.499 -1.928 2.249 1.00 0.00 S ATOM 227 CE MET A 28 -8.528 -0.609 1.014 1.00 0.00 C ATOM 0 H MET A 28 -10.410 0.292 5.966 1.00 0.00 H new ATOM 0 HA MET A 28 -11.905 -2.075 4.840 1.00 0.00 H new ATOM 0 HB2 MET A 28 -8.910 -1.899 5.349 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.771 -3.075 4.377 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.566 -0.938 2.989 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.184 -0.163 3.737 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.905 -0.891 0.166 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.552 -0.450 0.675 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.145 0.311 1.455 1.00 0.00 H new ATOM 237 N PRO A 29 -12.197 -2.349 7.426 1.00 0.00 N ATOM 238 CA PRO A 29 -12.321 -2.867 8.818 1.00 0.00 C ATOM 239 C PRO A 29 -12.278 -4.394 8.883 1.00 0.00 C ATOM 240 O PRO A 29 -12.482 -5.074 7.896 1.00 0.00 O ATOM 241 CB PRO A 29 -13.692 -2.356 9.254 1.00 0.00 C ATOM 242 CG PRO A 29 -14.493 -2.353 7.993 1.00 0.00 C ATOM 243 CD PRO A 29 -13.515 -1.998 6.865 1.00 0.00 C ATOM 0 HA PRO A 29 -11.498 -2.536 9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.138 -3.004 10.009 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.627 -1.358 9.688 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.950 -3.327 7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.304 -1.626 8.048 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.728 -2.563 5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.571 -0.941 6.603 1.00 0.00 H new ATOM 251 N GLY A 30 -12.006 -4.932 10.042 1.00 0.00 N ATOM 252 CA GLY A 30 -11.935 -6.413 10.200 1.00 0.00 C ATOM 253 C GLY A 30 -10.474 -6.812 10.352 1.00 0.00 C ATOM 254 O GLY A 30 -9.578 -6.064 10.014 1.00 0.00 O ATOM 0 H GLY A 30 -11.828 -4.402 10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.507 -6.729 11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.375 -6.908 9.334 1.00 0.00 H new ATOM 258 N SER A 31 -10.219 -7.978 10.865 1.00 0.00 N ATOM 259 CA SER A 31 -8.813 -8.418 11.046 1.00 0.00 C ATOM 260 C SER A 31 -8.210 -8.754 9.688 1.00 0.00 C ATOM 261 O SER A 31 -8.742 -8.400 8.653 1.00 0.00 O ATOM 262 CB SER A 31 -8.778 -9.664 11.929 1.00 0.00 C ATOM 263 OG SER A 31 -9.546 -10.694 11.319 1.00 0.00 O ATOM 0 H SER A 31 -10.926 -8.648 11.168 1.00 0.00 H new ATOM 0 HA SER A 31 -8.242 -7.618 11.517 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.749 -9.996 12.069 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.176 -9.435 12.917 1.00 0.00 H new ATOM 0 HG SER A 31 -9.524 -11.496 11.882 1.00 0.00 H new ATOM 269 N VAL A 32 -7.100 -9.426 9.683 1.00 0.00 N ATOM 270 CA VAL A 32 -6.455 -9.775 8.396 1.00 0.00 C ATOM 271 C VAL A 32 -7.457 -10.560 7.543 1.00 0.00 C ATOM 272 O VAL A 32 -7.663 -10.261 6.383 1.00 0.00 O ATOM 273 CB VAL A 32 -5.216 -10.624 8.692 1.00 0.00 C ATOM 274 CG1 VAL A 32 -4.455 -10.918 7.401 1.00 0.00 C ATOM 275 CG2 VAL A 32 -4.308 -9.854 9.653 1.00 0.00 C ATOM 0 H VAL A 32 -6.610 -9.749 10.517 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.154 -8.880 7.852 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.524 -11.569 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.576 -11.522 7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.102 -11.461 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.142 -9.980 6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.421 -10.449 9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.009 -8.912 9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.846 -9.652 10.579 1.00 0.00 H new ATOM 285 N ALA A 33 -8.085 -11.557 8.103 1.00 0.00 N ATOM 286 CA ALA A 33 -9.076 -12.350 7.320 1.00 0.00 C ATOM 287 C ALA A 33 -10.212 -11.438 6.836 1.00 0.00 C ATOM 288 O ALA A 33 -10.697 -11.573 5.730 1.00 0.00 O ATOM 289 CB ALA A 33 -9.653 -13.450 8.212 1.00 0.00 C ATOM 0 H ALA A 33 -7.955 -11.857 9.069 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.582 -12.793 6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.379 -14.034 7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.848 -14.102 8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.144 -12.999 9.074 1.00 0.00 H new ATOM 295 N GLY A 34 -10.655 -10.525 7.662 1.00 0.00 N ATOM 296 CA GLY A 34 -11.771 -9.620 7.252 1.00 0.00 C ATOM 297 C GLY A 34 -11.374 -8.832 6.001 1.00 0.00 C ATOM 298 O GLY A 34 -12.130 -8.728 5.056 1.00 0.00 O ATOM 0 H GLY A 34 -10.292 -10.367 8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.670 -10.204 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.010 -8.933 8.064 1.00 0.00 H new ATOM 302 N VAL A 35 -10.189 -8.289 5.978 1.00 0.00 N ATOM 303 CA VAL A 35 -9.743 -7.526 4.778 1.00 0.00 C ATOM 304 C VAL A 35 -9.734 -8.473 3.575 1.00 0.00 C ATOM 305 O VAL A 35 -10.107 -8.117 2.474 1.00 0.00 O ATOM 306 CB VAL A 35 -8.328 -6.992 5.024 1.00 0.00 C ATOM 307 CG1 VAL A 35 -7.743 -6.430 3.725 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.383 -5.880 6.072 1.00 0.00 C ATOM 0 H VAL A 35 -9.510 -8.340 6.737 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.416 -6.691 4.586 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.697 -7.807 5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.737 -6.053 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.701 -7.219 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.373 -5.617 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.378 -5.498 6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.020 -5.072 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.790 -6.276 7.002 1.00 0.00 H new ATOM 318 N HIS A 36 -9.293 -9.679 3.795 1.00 0.00 N ATOM 319 CA HIS A 36 -9.227 -10.690 2.701 1.00 0.00 C ATOM 320 C HIS A 36 -10.636 -11.089 2.265 1.00 0.00 C ATOM 321 O HIS A 36 -10.877 -11.401 1.115 1.00 0.00 O ATOM 322 CB HIS A 36 -8.502 -11.929 3.227 1.00 0.00 C ATOM 323 CG HIS A 36 -7.040 -11.620 3.392 1.00 0.00 C ATOM 324 ND1 HIS A 36 -6.584 -10.595 4.204 1.00 0.00 N ATOM 325 CD2 HIS A 36 -5.920 -12.206 2.863 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.239 -10.594 4.137 1.00 0.00 C ATOM 327 NE2 HIS A 36 -4.782 -11.557 3.334 1.00 0.00 N ATOM 0 H HIS A 36 -8.970 -10.014 4.703 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.697 -10.266 1.848 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -8.930 -12.236 4.181 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.633 -12.761 2.536 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.161 -9.957 4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.920 -13.045 2.183 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.607 -9.898 4.669 1.00 0.00 H new ATOM 335 N TYR A 37 -11.561 -11.114 3.182 1.00 0.00 N ATOM 336 CA TYR A 37 -12.945 -11.532 2.830 1.00 0.00 C ATOM 337 C TYR A 37 -13.527 -10.622 1.746 1.00 0.00 C ATOM 338 O TYR A 37 -14.011 -11.090 0.734 1.00 0.00 O ATOM 339 CB TYR A 37 -13.822 -11.429 4.077 1.00 0.00 C ATOM 340 CG TYR A 37 -15.236 -11.809 3.721 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.126 -10.829 3.261 1.00 0.00 C ATOM 342 CD2 TYR A 37 -15.652 -13.138 3.834 1.00 0.00 C ATOM 343 CE1 TYR A 37 -17.435 -11.184 2.919 1.00 0.00 C ATOM 344 CE2 TYR A 37 -16.960 -13.491 3.490 1.00 0.00 C ATOM 345 CZ TYR A 37 -17.852 -12.514 3.033 1.00 0.00 C ATOM 346 OH TYR A 37 -19.139 -12.866 2.691 1.00 0.00 O ATOM 0 H TYR A 37 -11.418 -10.863 4.160 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.919 -12.556 2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.442 -12.087 4.859 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.794 -10.414 4.473 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.802 -9.803 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.964 -13.892 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.124 -10.431 2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.282 -14.518 3.577 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.262 -13.828 2.829 1.00 0.00 H new ATOM 356 N ARG A 38 -13.486 -9.334 1.932 1.00 0.00 N ATOM 357 CA ARG A 38 -14.047 -8.428 0.892 1.00 0.00 C ATOM 358 C ARG A 38 -13.169 -8.475 -0.361 1.00 0.00 C ATOM 359 O ARG A 38 -13.656 -8.413 -1.473 1.00 0.00 O ATOM 360 CB ARG A 38 -14.113 -6.995 1.430 1.00 0.00 C ATOM 361 CG ARG A 38 -12.710 -6.516 1.808 1.00 0.00 C ATOM 362 CD ARG A 38 -12.798 -5.130 2.447 1.00 0.00 C ATOM 363 NE ARG A 38 -13.352 -4.161 1.460 1.00 0.00 N ATOM 364 CZ ARG A 38 -13.802 -3.005 1.863 1.00 0.00 C ATOM 365 NH1 ARG A 38 -13.780 -2.705 3.133 1.00 0.00 N ATOM 366 NH2 ARG A 38 -14.270 -2.150 0.996 1.00 0.00 N ATOM 0 H ARG A 38 -13.092 -8.871 2.751 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.054 -8.757 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -14.542 -6.334 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.768 -6.954 2.300 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.249 -7.219 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.076 -6.480 0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.433 -5.166 3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.810 -4.806 2.775 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.379 -4.402 0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.411 -3.374 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.132 -1.801 3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.284 -2.386 0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.622 -1.246 1.310 1.00 0.00 H new ATOM 380 N ALA A 39 -11.878 -8.558 -0.193 1.00 0.00 N ATOM 381 CA ALA A 39 -10.969 -8.578 -1.373 1.00 0.00 C ATOM 382 C ALA A 39 -11.085 -9.908 -2.127 1.00 0.00 C ATOM 383 O ALA A 39 -10.588 -10.045 -3.227 1.00 0.00 O ATOM 384 CB ALA A 39 -9.527 -8.378 -0.904 1.00 0.00 C ATOM 0 H ALA A 39 -11.413 -8.613 0.713 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.255 -7.772 -2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.859 -8.392 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.440 -7.419 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.253 -9.180 -0.219 1.00 0.00 H new ATOM 390 N ASN A 40 -11.746 -10.885 -1.566 1.00 0.00 N ATOM 391 CA ASN A 40 -11.891 -12.185 -2.286 1.00 0.00 C ATOM 392 C ASN A 40 -12.813 -11.986 -3.487 1.00 0.00 C ATOM 393 O ASN A 40 -12.588 -12.524 -4.551 1.00 0.00 O ATOM 394 CB ASN A 40 -12.493 -13.242 -1.357 1.00 0.00 C ATOM 395 CG ASN A 40 -11.465 -13.653 -0.300 1.00 0.00 C ATOM 396 OD1 ASN A 40 -11.818 -13.931 0.828 1.00 0.00 O ATOM 397 ND2 ASN A 40 -10.200 -13.708 -0.620 1.00 0.00 N ATOM 0 H ASN A 40 -12.189 -10.841 -0.648 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.909 -12.524 -2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.387 -12.847 -0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.802 -14.113 -1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.509 -13.984 0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.903 -13.475 -1.567 1.00 0.00 H new ATOM 404 N VAL A 41 -13.854 -11.217 -3.321 1.00 0.00 N ATOM 405 CA VAL A 41 -14.794 -10.984 -4.451 1.00 0.00 C ATOM 406 C VAL A 41 -14.056 -10.214 -5.548 1.00 0.00 C ATOM 407 O VAL A 41 -14.166 -10.518 -6.719 1.00 0.00 O ATOM 408 CB VAL A 41 -15.983 -10.152 -3.954 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.835 -9.691 -5.139 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.839 -10.996 -3.009 1.00 0.00 C ATOM 0 H VAL A 41 -14.093 -10.741 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.156 -11.935 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.606 -9.277 -3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.676 -9.101 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.228 -9.082 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.209 -10.561 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.684 -10.404 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.208 -11.874 -3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.237 -11.312 -2.157 1.00 0.00 H new ATOM 420 N GLN A 42 -13.300 -9.219 -5.172 1.00 0.00 N ATOM 421 CA GLN A 42 -12.547 -8.427 -6.180 1.00 0.00 C ATOM 422 C GLN A 42 -11.275 -9.176 -6.578 1.00 0.00 C ATOM 423 O GLN A 42 -10.799 -10.036 -5.864 1.00 0.00 O ATOM 424 CB GLN A 42 -12.178 -7.069 -5.581 1.00 0.00 C ATOM 425 CG GLN A 42 -13.453 -6.293 -5.259 1.00 0.00 C ATOM 426 CD GLN A 42 -14.158 -5.928 -6.565 1.00 0.00 C ATOM 427 OE1 GLN A 42 -13.527 -5.483 -7.504 1.00 0.00 O ATOM 428 NE2 GLN A 42 -15.444 -6.109 -6.671 1.00 0.00 N ATOM 0 H GLN A 42 -13.172 -8.921 -4.205 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.167 -8.280 -7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.585 -7.207 -4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.563 -6.505 -6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.111 -6.894 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.213 -5.391 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.973 -6.482 -5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.922 -5.877 -7.542 1.00 0.00 H new ATOM 437 N GLY A 43 -10.719 -8.850 -7.713 1.00 0.00 N ATOM 438 CA GLY A 43 -9.473 -9.533 -8.165 1.00 0.00 C ATOM 439 C GLY A 43 -8.255 -8.801 -7.598 1.00 0.00 C ATOM 440 O GLY A 43 -7.419 -8.309 -8.329 1.00 0.00 O ATOM 0 H GLY A 43 -11.076 -8.137 -8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.474 -10.571 -7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.428 -9.547 -9.254 1.00 0.00 H new ATOM 444 N TRP A 44 -8.150 -8.719 -6.301 1.00 0.00 N ATOM 445 CA TRP A 44 -6.985 -8.013 -5.693 1.00 0.00 C ATOM 446 C TRP A 44 -5.710 -8.829 -5.922 1.00 0.00 C ATOM 447 O TRP A 44 -5.722 -10.044 -5.898 1.00 0.00 O ATOM 448 CB TRP A 44 -7.214 -7.835 -4.184 1.00 0.00 C ATOM 449 CG TRP A 44 -8.112 -6.664 -3.945 1.00 0.00 C ATOM 450 CD1 TRP A 44 -9.086 -6.248 -4.783 1.00 0.00 C ATOM 451 CD2 TRP A 44 -8.112 -5.736 -2.824 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.696 -5.131 -4.240 1.00 0.00 N ATOM 453 CE2 TRP A 44 -9.126 -4.776 -3.033 1.00 0.00 C ATOM 454 CE3 TRP A 44 -7.340 -5.642 -1.655 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.363 -3.755 -2.112 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.569 -4.622 -0.731 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.580 -3.676 -0.957 1.00 0.00 C ATOM 0 H TRP A 44 -8.818 -9.109 -5.636 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.878 -7.034 -6.160 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.658 -8.738 -3.765 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.261 -7.684 -3.677 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.346 -6.711 -5.723 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.471 -4.632 -4.677 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.561 -6.367 -1.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.145 -3.032 -2.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.965 -4.560 0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.753 -2.888 -0.239 1.00 0.00 H new ATOM 468 N THR A 45 -4.606 -8.163 -6.125 1.00 0.00 N ATOM 469 CA THR A 45 -3.326 -8.890 -6.336 1.00 0.00 C ATOM 470 C THR A 45 -2.800 -9.358 -4.978 1.00 0.00 C ATOM 471 O THR A 45 -2.574 -8.566 -4.081 1.00 0.00 O ATOM 472 CB THR A 45 -2.312 -7.952 -7.006 1.00 0.00 C ATOM 473 OG1 THR A 45 -2.642 -7.808 -8.381 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.893 -8.516 -6.877 1.00 0.00 C ATOM 0 H THR A 45 -4.537 -7.146 -6.154 1.00 0.00 H new ATOM 0 HA THR A 45 -3.482 -9.754 -6.982 1.00 0.00 H new ATOM 0 HB THR A 45 -2.349 -6.981 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.997 -7.208 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.187 -7.838 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.637 -8.619 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.844 -9.492 -7.359 1.00 0.00 H new ATOM 482 N LYS A 46 -2.614 -10.645 -4.825 1.00 0.00 N ATOM 483 CA LYS A 46 -2.118 -11.199 -3.528 1.00 0.00 C ATOM 484 C LYS A 46 -0.973 -12.170 -3.795 1.00 0.00 C ATOM 485 O LYS A 46 -0.985 -12.904 -4.761 1.00 0.00 O ATOM 486 CB LYS A 46 -3.242 -11.992 -2.865 1.00 0.00 C ATOM 487 CG LYS A 46 -4.445 -11.093 -2.600 1.00 0.00 C ATOM 488 CD LYS A 46 -5.528 -11.894 -1.860 1.00 0.00 C ATOM 489 CE LYS A 46 -6.074 -13.017 -2.756 1.00 0.00 C ATOM 490 NZ LYS A 46 -5.191 -14.216 -2.660 1.00 0.00 N ATOM 0 H LYS A 46 -2.786 -11.342 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.787 -10.378 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.536 -12.823 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.888 -12.422 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.144 -10.231 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.840 -10.709 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.113 -12.319 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.340 -11.230 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.088 -13.276 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.128 -12.676 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.692 -14.353 -3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.497 -14.076 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.768 -15.056 -2.453 1.00 0.00 H new ATOM 504 N ARG A 47 0.007 -12.208 -2.932 1.00 0.00 N ATOM 505 CA ARG A 47 1.131 -13.171 -3.134 1.00 0.00 C ATOM 506 C ARG A 47 1.717 -13.566 -1.779 1.00 0.00 C ATOM 507 O ARG A 47 1.691 -12.806 -0.830 1.00 0.00 O ATOM 508 CB ARG A 47 2.210 -12.546 -4.024 1.00 0.00 C ATOM 509 CG ARG A 47 2.723 -11.245 -3.400 1.00 0.00 C ATOM 510 CD ARG A 47 3.886 -10.695 -4.235 1.00 0.00 C ATOM 511 NE ARG A 47 3.549 -10.769 -5.685 1.00 0.00 N ATOM 512 CZ ARG A 47 4.221 -10.059 -6.549 1.00 0.00 C ATOM 513 NH1 ARG A 47 5.160 -9.248 -6.140 1.00 0.00 N ATOM 514 NH2 ARG A 47 3.943 -10.154 -7.820 1.00 0.00 N ATOM 0 H ARG A 47 0.079 -11.619 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 47 0.753 -14.065 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.035 -13.246 -4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.803 -12.347 -5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.918 -10.511 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.051 -11.426 -2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.091 -9.662 -3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.792 -11.267 -4.034 1.00 0.00 H new ATOM 0 HE ARG A 47 2.792 -11.375 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.368 -9.170 -5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.685 -8.693 -6.816 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.203 -10.781 -8.135 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.466 -9.601 -8.499 1.00 0.00 H new ATOM 528 N LYS A 48 2.238 -14.758 -1.684 1.00 0.00 N ATOM 529 CA LYS A 48 2.822 -15.224 -0.395 1.00 0.00 C ATOM 530 C LYS A 48 4.250 -14.705 -0.240 1.00 0.00 C ATOM 531 O LYS A 48 4.923 -14.397 -1.205 1.00 0.00 O ATOM 532 CB LYS A 48 2.841 -16.754 -0.371 1.00 0.00 C ATOM 533 CG LYS A 48 1.411 -17.285 -0.253 1.00 0.00 C ATOM 534 CD LYS A 48 1.410 -18.812 -0.402 1.00 0.00 C ATOM 535 CE LYS A 48 2.362 -19.447 0.622 1.00 0.00 C ATOM 536 NZ LYS A 48 1.928 -20.845 0.897 1.00 0.00 N ATOM 0 H LYS A 48 2.285 -15.433 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 48 2.213 -14.843 0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.307 -17.136 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.441 -17.107 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.987 -17.004 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.782 -16.835 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.401 -19.198 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.715 -19.086 -1.412 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.383 -19.439 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.362 -18.866 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.571 -21.278 1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.960 -20.839 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.949 -21.395 0.015 1.00 0.00 H new ATOM 550 N LYS A 49 4.718 -14.625 0.976 1.00 0.00 N ATOM 551 CA LYS A 49 6.108 -14.149 1.222 1.00 0.00 C ATOM 552 C LYS A 49 6.612 -14.742 2.541 1.00 0.00 C ATOM 553 O LYS A 49 6.285 -14.273 3.615 1.00 0.00 O ATOM 554 CB LYS A 49 6.125 -12.615 1.293 1.00 0.00 C ATOM 555 CG LYS A 49 7.550 -12.090 1.551 1.00 0.00 C ATOM 556 CD LYS A 49 8.480 -12.444 0.382 1.00 0.00 C ATOM 557 CE LYS A 49 9.760 -11.615 0.484 1.00 0.00 C ATOM 558 NZ LYS A 49 10.183 -11.538 1.911 1.00 0.00 N ATOM 0 H LYS A 49 4.193 -14.871 1.815 1.00 0.00 H new ATOM 0 HA LYS A 49 6.758 -14.469 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.744 -12.200 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.460 -12.277 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.525 -11.009 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.939 -12.519 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.719 -13.507 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.981 -12.248 -0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.549 -12.067 -0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.591 -10.614 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.186 -11.269 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.608 -10.826 2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.050 -12.465 2.363 1.00 0.00 H new ATOM 572 N GLU A 50 7.406 -15.772 2.458 1.00 0.00 N ATOM 573 CA GLU A 50 7.948 -16.413 3.689 1.00 0.00 C ATOM 574 C GLU A 50 9.111 -15.572 4.225 1.00 0.00 C ATOM 575 O GLU A 50 9.758 -14.859 3.482 1.00 0.00 O ATOM 576 CB GLU A 50 8.450 -17.817 3.338 1.00 0.00 C ATOM 577 CG GLU A 50 9.640 -17.706 2.378 1.00 0.00 C ATOM 578 CD GLU A 50 9.948 -19.079 1.775 1.00 0.00 C ATOM 579 OE1 GLU A 50 10.046 -20.030 2.533 1.00 0.00 O ATOM 580 OE2 GLU A 50 10.075 -19.157 0.563 1.00 0.00 O ATOM 0 H GLU A 50 7.706 -16.201 1.583 1.00 0.00 H new ATOM 0 HA GLU A 50 7.169 -16.480 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.747 -18.346 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.650 -18.397 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.415 -16.993 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.513 -17.327 2.909 1.00 0.00 H new ATOM 587 N GLY A 51 9.392 -15.661 5.505 1.00 0.00 N ATOM 588 CA GLY A 51 10.531 -14.876 6.088 1.00 0.00 C ATOM 589 C GLY A 51 10.099 -14.199 7.391 1.00 0.00 C ATOM 590 O GLY A 51 10.875 -14.074 8.317 1.00 0.00 O ATOM 0 H GLY A 51 8.883 -16.242 6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.377 -15.536 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.866 -14.124 5.374 1.00 0.00 H new ATOM 594 N VAL A 52 8.873 -13.750 7.477 1.00 0.00 N ATOM 595 CA VAL A 52 8.408 -13.071 8.727 1.00 0.00 C ATOM 596 C VAL A 52 7.706 -14.084 9.631 1.00 0.00 C ATOM 597 O VAL A 52 6.834 -14.811 9.202 1.00 0.00 O ATOM 598 CB VAL A 52 7.431 -11.954 8.362 1.00 0.00 C ATOM 599 CG1 VAL A 52 6.978 -11.238 9.638 1.00 0.00 C ATOM 600 CG2 VAL A 52 8.124 -10.953 7.434 1.00 0.00 C ATOM 0 H VAL A 52 8.174 -13.823 6.738 1.00 0.00 H new ATOM 0 HA VAL A 52 9.266 -12.651 9.252 1.00 0.00 H new ATOM 0 HB VAL A 52 6.565 -12.379 7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.281 -10.441 9.380 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.485 -11.951 10.300 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.845 -10.812 10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.428 -10.156 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.990 -10.527 7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.448 -11.462 6.527 1.00 0.00 H new ATOM 610 N LYS A 53 8.084 -14.143 10.879 1.00 0.00 N ATOM 611 CA LYS A 53 7.439 -15.116 11.804 1.00 0.00 C ATOM 612 C LYS A 53 5.941 -14.822 11.896 1.00 0.00 C ATOM 613 O LYS A 53 5.528 -13.692 12.064 1.00 0.00 O ATOM 614 CB LYS A 53 8.073 -15.001 13.196 1.00 0.00 C ATOM 615 CG LYS A 53 7.450 -16.043 14.132 1.00 0.00 C ATOM 616 CD LYS A 53 8.085 -15.940 15.522 1.00 0.00 C ATOM 617 CE LYS A 53 7.456 -16.986 16.448 1.00 0.00 C ATOM 618 NZ LYS A 53 8.326 -17.191 17.640 1.00 0.00 N ATOM 0 H LYS A 53 8.810 -13.561 11.297 1.00 0.00 H new ATOM 0 HA LYS A 53 7.585 -16.127 11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.150 -15.154 13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.918 -13.999 13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.374 -15.885 14.202 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.600 -17.044 13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.161 -16.098 15.455 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.935 -14.940 15.929 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.465 -16.659 16.762 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.327 -17.927 15.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.896 -17.901 18.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.263 -17.522 17.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.428 -16.293 18.154 1.00 0.00 H new ATOM 632 N GLY A 54 5.125 -15.835 11.790 1.00 0.00 N ATOM 633 CA GLY A 54 3.652 -15.627 11.874 1.00 0.00 C ATOM 634 C GLY A 54 2.938 -16.749 11.121 1.00 0.00 C ATOM 635 O GLY A 54 2.332 -17.620 11.711 1.00 0.00 O ATOM 0 H GLY A 54 5.417 -16.802 11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.334 -15.614 12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.385 -14.660 11.447 1.00 0.00 H new ATOM 639 N GLY A 55 3.007 -16.730 9.821 1.00 0.00 N ATOM 640 CA GLY A 55 2.335 -17.790 9.020 1.00 0.00 C ATOM 641 C GLY A 55 2.360 -17.399 7.543 1.00 0.00 C ATOM 642 O GLY A 55 1.344 -17.058 6.967 1.00 0.00 O ATOM 0 H GLY A 55 3.501 -16.024 9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.840 -18.745 9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.306 -17.919 9.357 1.00 0.00 H new ATOM 646 N LYS A 56 3.510 -17.436 6.925 1.00 0.00 N ATOM 647 CA LYS A 56 3.593 -17.061 5.485 1.00 0.00 C ATOM 648 C LYS A 56 2.958 -15.680 5.302 1.00 0.00 C ATOM 649 O LYS A 56 1.768 -15.556 5.089 1.00 0.00 O ATOM 650 CB LYS A 56 2.846 -18.099 4.633 1.00 0.00 C ATOM 651 CG LYS A 56 3.694 -19.372 4.480 1.00 0.00 C ATOM 652 CD LYS A 56 3.759 -20.122 5.816 1.00 0.00 C ATOM 653 CE LYS A 56 4.321 -21.526 5.589 1.00 0.00 C ATOM 654 NZ LYS A 56 4.666 -22.139 6.904 1.00 0.00 N ATOM 0 H LYS A 56 4.394 -17.709 7.355 1.00 0.00 H new ATOM 0 HA LYS A 56 4.635 -17.034 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.891 -18.343 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.624 -17.682 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.264 -20.016 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.700 -19.112 4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.388 -19.577 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.765 -20.184 6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.589 -22.143 5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.206 -21.477 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.048 -23.094 6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.379 -21.553 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.812 -22.198 7.494 1.00 0.00 H new ATOM 668 N ALA A 57 3.742 -14.639 5.399 1.00 0.00 N ATOM 669 CA ALA A 57 3.185 -13.263 5.249 1.00 0.00 C ATOM 670 C ALA A 57 2.618 -13.089 3.840 1.00 0.00 C ATOM 671 O ALA A 57 2.992 -13.792 2.924 1.00 0.00 O ATOM 672 CB ALA A 57 4.298 -12.239 5.485 1.00 0.00 C ATOM 0 H ALA A 57 4.746 -14.683 5.576 1.00 0.00 H new ATOM 0 HA ALA A 57 2.388 -13.111 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.895 -11.232 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.699 -12.363 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.094 -12.392 4.756 1.00 0.00 H new ATOM 678 N VAL A 58 1.713 -12.156 3.662 1.00 0.00 N ATOM 679 CA VAL A 58 1.103 -11.927 2.313 1.00 0.00 C ATOM 680 C VAL A 58 1.180 -10.434 1.980 1.00 0.00 C ATOM 681 O VAL A 58 1.357 -9.608 2.853 1.00 0.00 O ATOM 682 CB VAL A 58 -0.359 -12.373 2.350 1.00 0.00 C ATOM 683 CG1 VAL A 58 -0.425 -13.856 2.725 1.00 0.00 C ATOM 684 CG2 VAL A 58 -1.123 -11.546 3.387 1.00 0.00 C ATOM 0 H VAL A 58 1.369 -11.539 4.398 1.00 0.00 H new ATOM 0 HA VAL A 58 1.639 -12.496 1.553 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.811 -12.224 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.466 -14.178 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.117 -14.443 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.027 -14.004 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.165 -11.866 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.675 -11.692 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.074 -10.491 3.119 1.00 0.00 H new ATOM 694 N GLU A 59 1.075 -10.085 0.718 1.00 0.00 N ATOM 695 CA GLU A 59 1.172 -8.641 0.315 1.00 0.00 C ATOM 696 C GLU A 59 0.034 -8.268 -0.637 1.00 0.00 C ATOM 697 O GLU A 59 -0.493 -9.099 -1.358 1.00 0.00 O ATOM 698 CB GLU A 59 2.501 -8.411 -0.405 1.00 0.00 C ATOM 699 CG GLU A 59 3.662 -8.665 0.555 1.00 0.00 C ATOM 700 CD GLU A 59 4.986 -8.554 -0.206 1.00 0.00 C ATOM 701 OE1 GLU A 59 4.952 -8.152 -1.359 1.00 0.00 O ATOM 702 OE2 GLU A 59 6.010 -8.872 0.374 1.00 0.00 O ATOM 0 H GLU A 59 0.926 -10.737 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 59 1.106 -8.025 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.578 -9.075 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.548 -7.390 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.638 -7.943 1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.569 -9.655 1.002 1.00 0.00 H new ATOM 709 N TYR A 60 -0.323 -7.004 -0.649 1.00 0.00 N ATOM 710 CA TYR A 60 -1.405 -6.495 -1.545 1.00 0.00 C ATOM 711 C TYR A 60 -0.829 -5.364 -2.402 1.00 0.00 C ATOM 712 O TYR A 60 -0.191 -4.464 -1.893 1.00 0.00 O ATOM 713 CB TYR A 60 -2.531 -5.916 -0.690 1.00 0.00 C ATOM 714 CG TYR A 60 -3.365 -7.025 -0.108 1.00 0.00 C ATOM 715 CD1 TYR A 60 -4.371 -7.595 -0.883 1.00 0.00 C ATOM 716 CD2 TYR A 60 -3.155 -7.463 1.204 1.00 0.00 C ATOM 717 CE1 TYR A 60 -5.175 -8.604 -0.353 1.00 0.00 C ATOM 718 CE2 TYR A 60 -3.964 -8.472 1.737 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.975 -9.043 0.955 1.00 0.00 C ATOM 720 OH TYR A 60 -5.776 -10.033 1.476 1.00 0.00 O ATOM 0 H TYR A 60 0.103 -6.289 -0.059 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.783 -7.304 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.113 -5.307 0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.157 -5.260 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.529 -7.256 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.371 -7.024 1.803 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.954 -9.046 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.809 -8.810 2.751 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.260 -10.478 0.750 1.00 0.00 H new ATOM 730 N ASP A 61 -1.059 -5.379 -3.690 1.00 0.00 N ATOM 731 CA ASP A 61 -0.524 -4.271 -4.548 1.00 0.00 C ATOM 732 C ASP A 61 -1.607 -3.196 -4.701 1.00 0.00 C ATOM 733 O ASP A 61 -2.603 -3.398 -5.367 1.00 0.00 O ATOM 734 CB ASP A 61 -0.143 -4.818 -5.926 1.00 0.00 C ATOM 735 CG ASP A 61 0.621 -3.747 -6.707 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.461 -2.580 -6.387 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.348 -4.112 -7.616 1.00 0.00 O ATOM 0 H ASP A 61 -1.587 -6.099 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 61 0.362 -3.841 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.472 -5.712 -5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.039 -5.112 -6.473 1.00 0.00 H new ATOM 742 N VAL A 62 -1.423 -2.056 -4.088 1.00 0.00 N ATOM 743 CA VAL A 62 -2.439 -0.968 -4.193 1.00 0.00 C ATOM 744 C VAL A 62 -2.509 -0.451 -5.629 1.00 0.00 C ATOM 745 O VAL A 62 -3.406 0.284 -5.990 1.00 0.00 O ATOM 746 CB VAL A 62 -2.056 0.180 -3.259 1.00 0.00 C ATOM 747 CG1 VAL A 62 -2.229 -0.265 -1.806 1.00 0.00 C ATOM 748 CG2 VAL A 62 -0.596 0.579 -3.502 1.00 0.00 C ATOM 0 H VAL A 62 -0.609 -1.831 -3.517 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.414 -1.365 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.701 1.036 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.956 0.553 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.268 -0.543 -1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.586 -1.123 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.327 1.398 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.052 -0.276 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.474 0.899 -4.537 1.00 0.00 H new ATOM 758 N MET A 63 -1.572 -0.823 -6.453 1.00 0.00 N ATOM 759 CA MET A 63 -1.593 -0.343 -7.859 1.00 0.00 C ATOM 760 C MET A 63 -2.737 -1.045 -8.593 1.00 0.00 C ATOM 761 O MET A 63 -3.086 -0.696 -9.703 1.00 0.00 O ATOM 762 CB MET A 63 -0.258 -0.685 -8.525 1.00 0.00 C ATOM 763 CG MET A 63 -0.130 0.079 -9.845 1.00 0.00 C ATOM 764 SD MET A 63 1.470 -0.288 -10.611 1.00 0.00 S ATOM 765 CE MET A 63 2.462 0.902 -9.672 1.00 0.00 C ATOM 0 H MET A 63 -0.794 -1.438 -6.214 1.00 0.00 H new ATOM 0 HA MET A 63 -1.742 0.736 -7.893 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.567 -0.426 -7.862 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.196 -1.758 -8.707 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.939 -0.202 -10.519 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.221 1.150 -9.666 1.00 0.00 H new ATOM 0 HE1 MET A 63 3.464 0.957 -10.098 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.993 1.885 -9.720 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.527 0.581 -8.632 1.00 0.00 H new ATOM 775 N SER A 64 -3.329 -2.033 -7.966 1.00 0.00 N ATOM 776 CA SER A 64 -4.464 -2.774 -8.599 1.00 0.00 C ATOM 777 C SER A 64 -5.789 -2.316 -7.972 1.00 0.00 C ATOM 778 O SER A 64 -6.855 -2.627 -8.462 1.00 0.00 O ATOM 779 CB SER A 64 -4.282 -4.271 -8.349 1.00 0.00 C ATOM 780 OG SER A 64 -4.327 -4.518 -6.951 1.00 0.00 O ATOM 0 H SER A 64 -3.072 -2.360 -7.035 1.00 0.00 H new ATOM 0 HA SER A 64 -4.480 -2.574 -9.670 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.065 -4.835 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.330 -4.608 -8.760 1.00 0.00 H new ATOM 0 HG SER A 64 -3.459 -4.300 -6.552 1.00 0.00 H new ATOM 786 N MET A 65 -5.732 -1.572 -6.898 1.00 0.00 N ATOM 787 CA MET A 65 -6.988 -1.085 -6.247 1.00 0.00 C ATOM 788 C MET A 65 -7.549 0.094 -7.056 1.00 0.00 C ATOM 789 O MET A 65 -6.810 0.797 -7.717 1.00 0.00 O ATOM 790 CB MET A 65 -6.663 -0.614 -4.821 1.00 0.00 C ATOM 791 CG MET A 65 -6.582 -1.813 -3.872 1.00 0.00 C ATOM 792 SD MET A 65 -5.412 -3.031 -4.526 1.00 0.00 S ATOM 793 CE MET A 65 -4.896 -3.748 -2.944 1.00 0.00 C ATOM 0 H MET A 65 -4.868 -1.279 -6.441 1.00 0.00 H new ATOM 0 HA MET A 65 -7.724 -1.888 -6.211 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.717 -0.073 -4.816 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.429 0.080 -4.476 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.265 -1.485 -2.882 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.567 -2.266 -3.757 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.854 -3.491 -2.751 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.522 -3.353 -2.144 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.001 -4.832 -2.984 1.00 0.00 H new ATOM 803 N PRO A 66 -8.839 0.335 -6.993 1.00 0.00 N ATOM 804 CA PRO A 66 -9.462 1.476 -7.727 1.00 0.00 C ATOM 805 C PRO A 66 -8.994 2.814 -7.135 1.00 0.00 C ATOM 806 O PRO A 66 -8.418 2.855 -6.065 1.00 0.00 O ATOM 807 CB PRO A 66 -10.973 1.269 -7.523 1.00 0.00 C ATOM 808 CG PRO A 66 -11.087 0.451 -6.275 1.00 0.00 C ATOM 809 CD PRO A 66 -9.839 -0.435 -6.229 1.00 0.00 C ATOM 0 HA PRO A 66 -9.190 1.505 -8.782 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.491 2.222 -7.419 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.419 0.755 -8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.143 1.091 -5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.994 -0.154 -6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.511 -0.613 -5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.023 -1.411 -6.679 1.00 0.00 H new ATOM 817 N THR A 67 -9.220 3.904 -7.816 1.00 0.00 N ATOM 818 CA THR A 67 -8.765 5.219 -7.282 1.00 0.00 C ATOM 819 C THR A 67 -9.425 5.504 -5.929 1.00 0.00 C ATOM 820 O THR A 67 -8.805 6.038 -5.031 1.00 0.00 O ATOM 821 CB THR A 67 -9.139 6.326 -8.268 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.552 6.437 -8.341 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.575 5.993 -9.649 1.00 0.00 C ATOM 0 H THR A 67 -9.698 3.941 -8.716 1.00 0.00 H new ATOM 0 HA THR A 67 -7.684 5.188 -7.150 1.00 0.00 H new ATOM 0 HB THR A 67 -8.720 7.273 -7.928 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.792 7.148 -8.972 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.842 6.783 -10.351 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.490 5.913 -9.589 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.990 5.046 -9.993 1.00 0.00 H new ATOM 831 N LYS A 68 -10.679 5.176 -5.776 1.00 0.00 N ATOM 832 CA LYS A 68 -11.370 5.460 -4.481 1.00 0.00 C ATOM 833 C LYS A 68 -10.597 4.828 -3.315 1.00 0.00 C ATOM 834 O LYS A 68 -10.178 5.509 -2.400 1.00 0.00 O ATOM 835 CB LYS A 68 -12.780 4.863 -4.522 1.00 0.00 C ATOM 836 CG LYS A 68 -13.611 5.574 -5.591 1.00 0.00 C ATOM 837 CD LYS A 68 -15.016 4.970 -5.620 1.00 0.00 C ATOM 838 CE LYS A 68 -15.852 5.673 -6.690 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.239 5.129 -6.669 1.00 0.00 N ATOM 0 H LYS A 68 -11.255 4.725 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.419 6.539 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.727 3.796 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.258 4.967 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.665 6.641 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.137 5.469 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.960 3.902 -5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.490 5.078 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.868 6.747 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.405 5.523 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.810 5.606 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.214 4.108 -6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.662 5.294 -5.733 1.00 0.00 H new ATOM 853 N GLU A 69 -10.405 3.534 -3.336 1.00 0.00 N ATOM 854 CA GLU A 69 -9.664 2.874 -2.218 1.00 0.00 C ATOM 855 C GLU A 69 -8.189 3.293 -2.236 1.00 0.00 C ATOM 856 O GLU A 69 -7.597 3.527 -1.201 1.00 0.00 O ATOM 857 CB GLU A 69 -9.787 1.343 -2.347 1.00 0.00 C ATOM 858 CG GLU A 69 -11.089 0.868 -1.689 1.00 0.00 C ATOM 859 CD GLU A 69 -12.279 1.616 -2.292 1.00 0.00 C ATOM 860 OE1 GLU A 69 -12.341 1.716 -3.505 1.00 0.00 O ATOM 861 OE2 GLU A 69 -13.110 2.081 -1.527 1.00 0.00 O ATOM 0 H GLU A 69 -10.727 2.908 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.099 3.187 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.774 1.055 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.932 0.859 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.211 -0.205 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.047 1.040 -0.613 1.00 0.00 H new ATOM 868 N ARG A 70 -7.586 3.394 -3.390 1.00 0.00 N ATOM 869 CA ARG A 70 -6.152 3.801 -3.431 1.00 0.00 C ATOM 870 C ARG A 70 -6.009 5.183 -2.794 1.00 0.00 C ATOM 871 O ARG A 70 -5.147 5.413 -1.969 1.00 0.00 O ATOM 872 CB ARG A 70 -5.660 3.844 -4.882 1.00 0.00 C ATOM 873 CG ARG A 70 -4.187 4.263 -4.911 1.00 0.00 C ATOM 874 CD ARG A 70 -3.664 4.197 -6.348 1.00 0.00 C ATOM 875 NE ARG A 70 -4.420 5.159 -7.196 1.00 0.00 N ATOM 876 CZ ARG A 70 -3.965 5.486 -8.377 1.00 0.00 C ATOM 877 NH1 ARG A 70 -2.836 4.988 -8.803 1.00 0.00 N ATOM 878 NH2 ARG A 70 -4.634 6.318 -9.128 1.00 0.00 N ATOM 0 H ARG A 70 -8.018 3.215 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.552 3.077 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.780 2.865 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.260 4.547 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.078 5.274 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.599 3.608 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.600 4.434 -6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.774 3.186 -6.740 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.293 5.563 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.308 4.343 -8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.481 5.243 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.513 6.714 -8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.278 6.573 -10.049 1.00 0.00 H new ATOM 892 N GLU A 71 -6.861 6.102 -3.158 1.00 0.00 N ATOM 893 CA GLU A 71 -6.784 7.462 -2.559 1.00 0.00 C ATOM 894 C GLU A 71 -7.013 7.370 -1.047 1.00 0.00 C ATOM 895 O GLU A 71 -6.374 8.049 -0.272 1.00 0.00 O ATOM 896 CB GLU A 71 -7.847 8.363 -3.191 1.00 0.00 C ATOM 897 CG GLU A 71 -7.415 8.743 -4.610 1.00 0.00 C ATOM 898 CD GLU A 71 -8.452 9.684 -5.224 1.00 0.00 C ATOM 899 OE1 GLU A 71 -9.618 9.326 -5.231 1.00 0.00 O ATOM 900 OE2 GLU A 71 -8.061 10.747 -5.679 1.00 0.00 O ATOM 0 H GLU A 71 -7.605 5.969 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.798 7.886 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.807 7.848 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.983 9.261 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.438 9.226 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.313 7.847 -5.223 1.00 0.00 H new ATOM 907 N GLN A 72 -7.930 6.540 -0.626 1.00 0.00 N ATOM 908 CA GLN A 72 -8.210 6.411 0.832 1.00 0.00 C ATOM 909 C GLN A 72 -6.949 5.933 1.558 1.00 0.00 C ATOM 910 O GLN A 72 -6.639 6.389 2.639 1.00 0.00 O ATOM 911 CB GLN A 72 -9.352 5.414 1.044 1.00 0.00 C ATOM 912 CG GLN A 72 -9.649 5.287 2.540 1.00 0.00 C ATOM 913 CD GLN A 72 -10.918 4.457 2.741 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.095 3.429 2.117 1.00 0.00 O ATOM 915 NE2 GLN A 72 -11.819 4.865 3.594 1.00 0.00 N ATOM 0 H GLN A 72 -8.497 5.946 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.503 7.380 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.243 5.748 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.081 4.442 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.809 4.815 3.049 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.775 6.276 2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.671 5.727 4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.670 4.321 3.736 1.00 0.00 H new ATOM 924 N VAL A 73 -6.215 5.023 0.977 1.00 0.00 N ATOM 925 CA VAL A 73 -4.975 4.539 1.648 1.00 0.00 C ATOM 926 C VAL A 73 -3.962 5.689 1.703 1.00 0.00 C ATOM 927 O VAL A 73 -3.406 5.993 2.738 1.00 0.00 O ATOM 928 CB VAL A 73 -4.389 3.368 0.849 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.995 3.022 1.378 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.301 2.147 0.994 1.00 0.00 C ATOM 0 H VAL A 73 -6.418 4.596 0.073 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.203 4.202 2.659 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.316 3.652 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.585 2.190 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.342 3.889 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.064 2.741 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.886 1.314 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.373 1.870 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.294 2.387 0.613 1.00 0.00 H new ATOM 940 N ILE A 74 -3.727 6.344 0.602 1.00 0.00 N ATOM 941 CA ILE A 74 -2.760 7.477 0.613 1.00 0.00 C ATOM 942 C ILE A 74 -3.260 8.537 1.594 1.00 0.00 C ATOM 943 O ILE A 74 -2.491 9.130 2.320 1.00 0.00 O ATOM 944 CB ILE A 74 -2.628 8.067 -0.793 1.00 0.00 C ATOM 945 CG1 ILE A 74 -1.964 7.025 -1.691 1.00 0.00 C ATOM 946 CG2 ILE A 74 -1.758 9.331 -0.753 1.00 0.00 C ATOM 947 CD1 ILE A 74 -2.030 7.482 -3.146 1.00 0.00 C ATOM 0 H ILE A 74 -4.159 6.146 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.777 7.125 0.927 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.614 8.330 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.926 6.882 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.464 6.063 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.670 9.744 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.219 10.069 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.767 9.079 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.555 6.736 -3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.072 7.603 -3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.510 8.434 -3.252 1.00 0.00 H new ATOM 959 N ALA A 75 -4.541 8.774 1.629 1.00 0.00 N ATOM 960 CA ALA A 75 -5.074 9.791 2.574 1.00 0.00 C ATOM 961 C ALA A 75 -4.581 9.452 3.980 1.00 0.00 C ATOM 962 O ALA A 75 -4.305 10.325 4.780 1.00 0.00 O ATOM 963 CB ALA A 75 -6.605 9.769 2.550 1.00 0.00 C ATOM 0 H ALA A 75 -5.238 8.310 1.047 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.730 10.784 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.991 10.516 3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.956 9.994 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.959 8.782 2.846 1.00 0.00 H new ATOM 969 N HIS A 76 -4.449 8.191 4.285 1.00 0.00 N ATOM 970 CA HIS A 76 -3.949 7.811 5.632 1.00 0.00 C ATOM 971 C HIS A 76 -2.533 8.371 5.790 1.00 0.00 C ATOM 972 O HIS A 76 -2.159 8.854 6.837 1.00 0.00 O ATOM 973 CB HIS A 76 -3.919 6.286 5.771 1.00 0.00 C ATOM 974 CG HIS A 76 -3.450 5.911 7.150 1.00 0.00 C ATOM 975 ND1 HIS A 76 -4.333 5.587 8.169 1.00 0.00 N ATOM 976 CD2 HIS A 76 -2.194 5.795 7.693 1.00 0.00 C ATOM 977 CE1 HIS A 76 -3.603 5.291 9.261 1.00 0.00 C ATOM 978 NE2 HIS A 76 -2.293 5.402 9.025 1.00 0.00 N ATOM 0 H HIS A 76 -4.665 7.412 3.663 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.606 8.215 6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.912 5.875 5.590 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.255 5.856 5.021 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.269 5.981 7.167 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.025 4.999 10.211 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.529 5.235 9.680 1.00 0.00 H new ATOM 986 N LEU A 77 -1.741 8.302 4.748 1.00 0.00 N ATOM 987 CA LEU A 77 -0.343 8.824 4.828 1.00 0.00 C ATOM 988 C LEU A 77 -0.363 10.324 5.140 1.00 0.00 C ATOM 989 O LEU A 77 0.448 10.822 5.895 1.00 0.00 O ATOM 990 CB LEU A 77 0.360 8.627 3.478 1.00 0.00 C ATOM 991 CG LEU A 77 0.408 7.138 3.106 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.978 6.989 1.688 1.00 0.00 C ATOM 993 CD2 LEU A 77 1.296 6.369 4.100 1.00 0.00 C ATOM 0 H LEU A 77 -2.003 7.906 3.845 1.00 0.00 H new ATOM 0 HA LEU A 77 0.185 8.284 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.166 9.184 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.372 9.028 3.527 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.601 6.728 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.014 5.933 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.341 7.522 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.984 7.406 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.321 5.315 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.307 6.775 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.889 6.472 5.106 1.00 0.00 H new ATOM 1005 N GLY A 78 -1.273 11.050 4.549 1.00 0.00 N ATOM 1006 CA GLY A 78 -1.336 12.520 4.789 1.00 0.00 C ATOM 1007 C GLY A 78 -1.570 12.810 6.271 1.00 0.00 C ATOM 1008 O GLY A 78 -0.978 13.709 6.835 1.00 0.00 O ATOM 0 H GLY A 78 -1.978 10.687 3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.407 12.988 4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.139 12.957 4.195 1.00 0.00 H new ATOM 1012 N LEU A 79 -2.433 12.065 6.909 1.00 0.00 N ATOM 1013 CA LEU A 79 -2.709 12.312 8.358 1.00 0.00 C ATOM 1014 C LEU A 79 -1.743 11.493 9.217 1.00 0.00 C ATOM 1015 O LEU A 79 -1.825 11.490 10.429 1.00 0.00 O ATOM 1016 CB LEU A 79 -4.164 11.943 8.680 1.00 0.00 C ATOM 1017 CG LEU A 79 -4.453 10.473 8.305 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -3.919 9.500 9.383 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -5.971 10.285 8.145 1.00 0.00 C ATOM 0 H LEU A 79 -2.959 11.297 6.492 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.561 13.369 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.356 12.097 9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.840 12.602 8.135 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.943 10.248 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.139 8.474 9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.841 9.625 9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.400 9.714 10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.183 9.249 7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.469 10.529 9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.338 10.943 7.358 1.00 0.00 H new ATOM 1031 N SER A 80 -0.818 10.805 8.598 1.00 0.00 N ATOM 1032 CA SER A 80 0.163 9.993 9.380 1.00 0.00 C ATOM 1033 C SER A 80 1.381 10.860 9.707 1.00 0.00 C ATOM 1034 O SER A 80 2.303 10.429 10.372 1.00 0.00 O ATOM 1035 CB SER A 80 0.609 8.790 8.547 1.00 0.00 C ATOM 1036 OG SER A 80 1.206 7.822 9.400 1.00 0.00 O ATOM 0 H SER A 80 -0.699 10.770 7.586 1.00 0.00 H new ATOM 0 HA SER A 80 -0.302 9.644 10.302 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.245 8.356 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.320 9.106 7.783 1.00 0.00 H new ATOM 0 HG SER A 80 1.852 8.261 9.992 1.00 0.00 H new ATOM 1042 N THR A 81 1.395 12.079 9.237 1.00 0.00 N ATOM 1043 CA THR A 81 2.553 12.979 9.507 1.00 0.00 C ATOM 1044 C THR A 81 2.067 14.428 9.593 1.00 0.00 C ATOM 1045 O THR A 81 1.552 14.979 8.641 1.00 0.00 O ATOM 1046 CB THR A 81 3.563 12.846 8.364 1.00 0.00 C ATOM 1047 OG1 THR A 81 4.329 14.038 8.273 1.00 0.00 O ATOM 1048 CG2 THR A 81 2.822 12.610 7.045 1.00 0.00 C ATOM 0 H THR A 81 0.650 12.491 8.675 1.00 0.00 H new ATOM 0 HA THR A 81 3.023 12.702 10.450 1.00 0.00 H new ATOM 0 HB THR A 81 4.224 12.001 8.560 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.978 13.955 7.543 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.544 12.516 6.234 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.235 11.694 7.116 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.159 13.452 6.845 1.00 0.00 H new TER 1056 THR A 81