USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 677 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 24 GLN : amide:sc= -4.82! C(o=-3.8!,f=-4.9!) USER MOD Set 1.2: A 28 SER OG : rot -83:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.299 (180deg=-0.768) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 134:sc= 0.0131 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.315 USER MOD Single : A 7 THR OG1 : rot -119:sc= 0.94 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 134:sc= 0.762 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0155 (180deg=-0.245) USER MOD Single : A 31 MET CE :methyl -128:sc=-0.00223 (180deg=-0.266) USER MOD Single : A 35 SER OG : rot -113:sc= -1.23 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.61! C(o=-1.6!,f=-9.4!) USER MOD Single : A 50 HIS : no HE2:sc= -3.74! X(o=-3.7!,f=-3.7) USER MOD Single : A 53 THR OG1 : rot -80:sc= 1.75 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -110:sc= -2.15 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 79 HIS : no HD1:sc= 0 K(o=0,f=-2!) USER MOD Single : A 80 HIS : no HD1:sc= -0.78 K(o=-0.78,f=-4.5!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 82 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-1.4!) USER MOD Single : A 83 HIS : no HE2:sc= -0.573 K(o=-0.57,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.982 -14.403 -11.765 1.00 0.00 N ATOM 2 CA MET A 1 -20.308 -15.771 -12.258 1.00 0.00 C ATOM 3 C MET A 1 -19.173 -16.724 -11.897 1.00 0.00 C ATOM 4 O MET A 1 -19.337 -17.943 -11.936 1.00 0.00 O ATOM 5 CB MET A 1 -20.496 -15.732 -13.776 1.00 0.00 C ATOM 6 CG MET A 1 -21.751 -14.923 -14.114 1.00 0.00 C ATOM 7 SD MET A 1 -21.967 -14.868 -15.911 1.00 0.00 S ATOM 8 CE MET A 1 -23.290 -13.634 -15.945 1.00 0.00 C ATOM 0 H1 MET A 1 -20.850 -13.831 -11.729 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.570 -14.466 -10.812 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.299 -13.956 -12.409 1.00 0.00 H new ATOM 0 HA MET A 1 -21.229 -16.121 -11.792 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.623 -15.284 -14.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.587 -16.745 -14.168 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.625 -15.375 -13.645 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.663 -13.912 -13.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.584 -13.444 -16.977 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.149 -14.006 -15.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.936 -12.708 -15.492 1.00 0.00 H new ATOM 20 N GLN A 2 -18.018 -16.159 -11.544 1.00 0.00 N ATOM 21 CA GLN A 2 -16.855 -16.968 -11.176 1.00 0.00 C ATOM 22 C GLN A 2 -15.976 -16.230 -10.172 1.00 0.00 C ATOM 23 O GLN A 2 -15.024 -16.794 -9.633 1.00 0.00 O ATOM 24 CB GLN A 2 -16.030 -17.294 -12.420 1.00 0.00 C ATOM 25 CG GLN A 2 -15.690 -16.003 -13.164 1.00 0.00 C ATOM 26 CD GLN A 2 -14.672 -16.293 -14.259 1.00 0.00 C ATOM 27 OE1 GLN A 2 -15.041 -16.513 -15.413 1.00 0.00 O ATOM 28 NE2 GLN A 2 -13.402 -16.311 -13.960 1.00 0.00 N ATOM 0 H GLN A 2 -17.863 -15.152 -11.505 1.00 0.00 H new ATOM 0 HA GLN A 2 -17.215 -17.890 -10.720 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.115 -17.813 -12.136 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -16.588 -17.965 -13.073 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.593 -15.574 -13.598 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.290 -15.266 -12.468 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.101 -16.128 -13.003 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.710 -16.508 -14.683 1.00 0.00 H new ATOM 37 N TYR A 3 -16.299 -14.964 -9.933 1.00 0.00 N ATOM 38 CA TYR A 3 -15.532 -14.147 -8.999 1.00 0.00 C ATOM 39 C TYR A 3 -16.048 -14.361 -7.582 1.00 0.00 C ATOM 40 O TYR A 3 -16.969 -13.679 -7.136 1.00 0.00 O ATOM 41 CB TYR A 3 -15.671 -12.673 -9.379 1.00 0.00 C ATOM 42 CG TYR A 3 -15.149 -12.464 -10.782 1.00 0.00 C ATOM 43 CD1 TYR A 3 -15.941 -12.823 -11.881 1.00 0.00 C ATOM 44 CD2 TYR A 3 -13.875 -11.915 -10.989 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.462 -12.634 -13.182 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.401 -11.726 -12.290 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.193 -12.083 -13.387 1.00 0.00 C ATOM 48 OH TYR A 3 -13.721 -11.893 -14.670 1.00 0.00 O ATOM 0 H TYR A 3 -17.084 -14.482 -10.371 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.482 -14.437 -9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.716 -12.368 -9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.116 -12.051 -8.676 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.922 -13.246 -11.724 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.261 -11.639 -10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.072 -12.914 -14.028 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.420 -11.303 -12.449 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.324 -11.000 -14.744 1.00 0.00 H new ATOM 58 N THR A 4 -15.457 -15.327 -6.887 1.00 0.00 N ATOM 59 CA THR A 4 -15.872 -15.648 -5.521 1.00 0.00 C ATOM 60 C THR A 4 -15.159 -14.736 -4.521 1.00 0.00 C ATOM 61 O THR A 4 -14.050 -14.271 -4.781 1.00 0.00 O ATOM 62 CB THR A 4 -15.553 -17.128 -5.207 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.404 -17.206 -4.373 1.00 0.00 O ATOM 64 CG2 THR A 4 -15.287 -17.891 -6.508 1.00 0.00 C ATOM 0 H THR A 4 -14.692 -15.901 -7.243 1.00 0.00 H new ATOM 0 HA THR A 4 -16.947 -15.489 -5.435 1.00 0.00 H new ATOM 0 HB THR A 4 -16.406 -17.573 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.299 -18.124 -4.045 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.063 -18.933 -6.279 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.169 -17.841 -7.146 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.439 -17.443 -7.026 1.00 0.00 H new ATOM 72 N PRO A 5 -15.767 -14.469 -3.390 1.00 0.00 N ATOM 73 CA PRO A 5 -15.165 -13.591 -2.343 1.00 0.00 C ATOM 74 C PRO A 5 -13.912 -14.214 -1.729 1.00 0.00 C ATOM 75 O PRO A 5 -13.025 -13.503 -1.260 1.00 0.00 O ATOM 76 CB PRO A 5 -16.288 -13.437 -1.302 1.00 0.00 C ATOM 77 CG PRO A 5 -17.153 -14.642 -1.488 1.00 0.00 C ATOM 78 CD PRO A 5 -17.088 -14.977 -2.978 1.00 0.00 C ATOM 0 HA PRO A 5 -14.831 -12.635 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.885 -13.392 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.851 -12.518 -1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.796 -15.476 -0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.178 -14.439 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.177 -16.049 -3.152 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.893 -14.496 -3.533 1.00 0.00 H new ATOM 86 N ASP A 6 -13.847 -15.545 -1.736 1.00 0.00 N ATOM 87 CA ASP A 6 -12.695 -16.258 -1.176 1.00 0.00 C ATOM 88 C ASP A 6 -12.255 -17.386 -2.105 1.00 0.00 C ATOM 89 O ASP A 6 -12.775 -18.499 -2.038 1.00 0.00 O ATOM 90 CB ASP A 6 -13.057 -16.839 0.193 1.00 0.00 C ATOM 91 CG ASP A 6 -13.163 -15.723 1.227 1.00 0.00 C ATOM 92 OD1 ASP A 6 -12.800 -14.604 0.901 1.00 0.00 O ATOM 93 OD2 ASP A 6 -13.605 -16.002 2.329 1.00 0.00 O ATOM 0 H ASP A 6 -14.573 -16.150 -2.120 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.873 -15.550 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.003 -17.377 0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.300 -17.560 0.502 1.00 0.00 H new ATOM 98 N THR A 7 -11.280 -17.092 -2.963 1.00 0.00 N ATOM 99 CA THR A 7 -10.751 -18.085 -3.899 1.00 0.00 C ATOM 100 C THR A 7 -9.240 -17.943 -4.015 1.00 0.00 C ATOM 101 O THR A 7 -8.697 -16.852 -3.841 1.00 0.00 O ATOM 102 CB THR A 7 -11.377 -17.902 -5.287 1.00 0.00 C ATOM 103 OG1 THR A 7 -10.679 -18.707 -6.224 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.286 -16.434 -5.702 1.00 0.00 C ATOM 0 H THR A 7 -10.840 -16.174 -3.030 1.00 0.00 H new ATOM 0 HA THR A 7 -10.999 -19.076 -3.519 1.00 0.00 H new ATOM 0 HB THR A 7 -12.425 -18.201 -5.258 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.277 -18.135 -6.911 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.731 -16.307 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.821 -15.818 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.240 -16.129 -5.734 1.00 0.00 H new ATOM 112 N ALA A 8 -8.566 -19.046 -4.331 1.00 0.00 N ATOM 113 CA ALA A 8 -7.110 -19.025 -4.492 1.00 0.00 C ATOM 114 C ALA A 8 -6.770 -18.932 -5.971 1.00 0.00 C ATOM 115 O ALA A 8 -6.863 -19.917 -6.703 1.00 0.00 O ATOM 116 CB ALA A 8 -6.493 -20.295 -3.903 1.00 0.00 C ATOM 0 H ALA A 8 -8.997 -19.958 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.705 -18.161 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.411 -20.266 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.733 -20.357 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.895 -21.167 -4.418 1.00 0.00 H new ATOM 122 N TRP A 9 -6.390 -17.734 -6.410 1.00 0.00 N ATOM 123 CA TRP A 9 -6.053 -17.503 -7.815 1.00 0.00 C ATOM 124 C TRP A 9 -4.541 -17.517 -8.003 1.00 0.00 C ATOM 125 O TRP A 9 -3.802 -16.904 -7.232 1.00 0.00 O ATOM 126 CB TRP A 9 -6.613 -16.146 -8.269 1.00 0.00 C ATOM 127 CG TRP A 9 -8.087 -16.252 -8.534 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.953 -17.046 -7.859 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.879 -15.548 -9.531 1.00 0.00 C ATOM 130 NE1 TRP A 9 -10.218 -16.873 -8.380 1.00 0.00 N ATOM 131 CE2 TRP A 9 -10.226 -15.962 -9.410 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.566 -14.598 -10.519 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -11.224 -15.458 -10.234 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.570 -14.086 -11.354 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.899 -14.514 -11.212 1.00 0.00 C ATOM 0 H TRP A 9 -6.307 -16.909 -5.816 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.494 -18.298 -8.416 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.428 -15.394 -7.502 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -6.097 -15.816 -9.171 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.694 -17.707 -7.045 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -11.047 -17.362 -8.042 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.547 -14.261 -10.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -12.244 -15.793 -10.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.319 -13.358 -12.111 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.668 -14.115 -11.857 1.00 0.00 H new ATOM 146 N LYS A 10 -4.089 -18.222 -9.037 1.00 0.00 N ATOM 147 CA LYS A 10 -2.663 -18.314 -9.333 1.00 0.00 C ATOM 148 C LYS A 10 -2.295 -17.310 -10.417 1.00 0.00 C ATOM 149 O LYS A 10 -2.959 -17.232 -11.451 1.00 0.00 O ATOM 150 CB LYS A 10 -2.320 -19.728 -9.794 1.00 0.00 C ATOM 151 CG LYS A 10 -0.806 -19.856 -9.950 1.00 0.00 C ATOM 152 CD LYS A 10 -0.453 -21.297 -10.312 1.00 0.00 C ATOM 153 CE LYS A 10 1.061 -21.430 -10.451 1.00 0.00 C ATOM 154 NZ LYS A 10 1.408 -22.839 -10.788 1.00 0.00 N ATOM 0 H LYS A 10 -4.688 -18.737 -9.682 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.095 -18.087 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.685 -20.457 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.814 -19.944 -10.741 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.451 -19.177 -10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.308 -19.570 -9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.819 -21.977 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.941 -21.579 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.426 -20.759 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.549 -21.136 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.440 -22.929 -10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.073 -23.469 -10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.954 -23.103 -11.685 1.00 0.00 H new ATOM 168 N ILE A 11 -1.245 -16.533 -10.170 1.00 0.00 N ATOM 169 CA ILE A 11 -0.812 -15.522 -11.130 1.00 0.00 C ATOM 170 C ILE A 11 0.086 -16.150 -12.189 1.00 0.00 C ATOM 171 O ILE A 11 1.156 -16.671 -11.876 1.00 0.00 O ATOM 172 CB ILE A 11 -0.035 -14.414 -10.407 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.822 -13.939 -9.188 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.153 -13.224 -11.350 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.049 -13.000 -8.351 1.00 0.00 C ATOM 0 H ILE A 11 -0.682 -16.582 -9.321 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.695 -15.099 -11.609 1.00 0.00 H new ATOM 0 HB ILE A 11 0.932 -14.809 -10.096 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.729 -13.424 -9.506 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.134 -14.794 -8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.705 -12.437 -10.837 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.710 -13.542 -12.231 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.822 -12.844 -11.655 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.513 -12.661 -7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.943 -13.530 -8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.339 -12.139 -8.953 1.00 0.00 H new ATOM 187 N THR A 12 -0.353 -16.092 -13.445 1.00 0.00 N ATOM 188 CA THR A 12 0.424 -16.653 -14.550 1.00 0.00 C ATOM 189 C THR A 12 1.194 -15.546 -15.262 1.00 0.00 C ATOM 190 O THR A 12 2.319 -15.751 -15.718 1.00 0.00 O ATOM 191 CB THR A 12 -0.508 -17.354 -15.539 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.356 -18.249 -14.833 1.00 0.00 O ATOM 193 CG2 THR A 12 0.320 -18.132 -16.563 1.00 0.00 C ATOM 0 H THR A 12 -1.237 -15.665 -13.722 1.00 0.00 H new ATOM 0 HA THR A 12 1.133 -17.379 -14.151 1.00 0.00 H new ATOM 0 HB THR A 12 -1.114 -16.611 -16.057 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.956 -18.698 -15.465 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.347 -18.631 -17.267 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.970 -17.444 -17.104 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.928 -18.877 -16.049 1.00 0.00 H new ATOM 201 N GLY A 13 0.578 -14.368 -15.348 1.00 0.00 N ATOM 202 CA GLY A 13 1.208 -13.221 -15.999 1.00 0.00 C ATOM 203 C GLY A 13 0.182 -12.369 -16.730 1.00 0.00 C ATOM 204 O GLY A 13 -1.001 -12.702 -16.776 1.00 0.00 O ATOM 0 H GLY A 13 -0.354 -14.183 -14.976 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.723 -12.615 -15.254 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.963 -13.569 -16.704 1.00 0.00 H new ATOM 208 N PHE A 14 0.646 -11.265 -17.302 1.00 0.00 N ATOM 209 CA PHE A 14 -0.235 -10.362 -18.036 1.00 0.00 C ATOM 210 C PHE A 14 -0.320 -10.780 -19.505 1.00 0.00 C ATOM 211 O PHE A 14 0.653 -11.267 -20.079 1.00 0.00 O ATOM 212 CB PHE A 14 0.290 -8.925 -17.934 1.00 0.00 C ATOM 213 CG PHE A 14 1.796 -8.933 -17.909 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.473 -9.094 -16.696 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.513 -8.767 -19.095 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.871 -9.087 -16.669 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.912 -8.757 -19.071 1.00 0.00 C ATOM 218 CZ PHE A 14 4.592 -8.918 -17.857 1.00 0.00 C ATOM 0 H PHE A 14 1.623 -10.973 -17.273 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.232 -10.413 -17.598 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.066 -8.337 -18.780 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.095 -8.450 -17.032 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.916 -9.224 -15.780 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.988 -8.646 -20.031 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.394 -9.212 -15.732 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.467 -8.625 -19.988 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.672 -8.912 -17.838 1.00 0.00 H new ATOM 228 N SER A 15 -1.486 -10.574 -20.103 1.00 0.00 N ATOM 229 CA SER A 15 -1.693 -10.919 -21.504 1.00 0.00 C ATOM 230 C SER A 15 -1.009 -9.908 -22.405 1.00 0.00 C ATOM 231 O SER A 15 -0.511 -8.884 -21.947 1.00 0.00 O ATOM 232 CB SER A 15 -3.190 -10.964 -21.813 1.00 0.00 C ATOM 233 OG SER A 15 -3.729 -12.184 -21.325 1.00 0.00 O ATOM 0 H SER A 15 -2.301 -10.171 -19.642 1.00 0.00 H new ATOM 0 HA SER A 15 -1.259 -11.901 -21.690 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.695 -10.117 -21.349 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.355 -10.883 -22.887 1.00 0.00 H new ATOM 0 HG SER A 15 -4.563 -12.004 -20.844 1.00 0.00 H new ATOM 239 N ARG A 16 -0.975 -10.217 -23.690 1.00 0.00 N ATOM 240 CA ARG A 16 -0.342 -9.338 -24.654 1.00 0.00 C ATOM 241 C ARG A 16 -1.153 -8.055 -24.823 1.00 0.00 C ATOM 242 O ARG A 16 -0.593 -6.963 -24.921 1.00 0.00 O ATOM 243 CB ARG A 16 -0.219 -10.050 -25.998 1.00 0.00 C ATOM 244 CG ARG A 16 0.728 -9.258 -26.890 1.00 0.00 C ATOM 245 CD ARG A 16 0.792 -9.901 -28.277 1.00 0.00 C ATOM 246 NE ARG A 16 1.346 -11.248 -28.186 1.00 0.00 N ATOM 247 CZ ARG A 16 2.659 -11.458 -28.179 1.00 0.00 C ATOM 248 NH1 ARG A 16 3.482 -10.449 -28.259 1.00 0.00 N ATOM 249 NH2 ARG A 16 3.123 -12.675 -28.093 1.00 0.00 N ATOM 0 H ARG A 16 -1.377 -11.066 -24.087 1.00 0.00 H new ATOM 0 HA ARG A 16 0.651 -9.077 -24.288 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.157 -11.063 -25.855 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.198 -10.136 -26.470 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.387 -8.226 -26.973 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.723 -9.230 -26.446 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.206 -9.940 -28.714 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.407 -9.292 -28.940 1.00 0.00 H new ATOM 0 HE ARG A 16 0.713 -12.045 -28.127 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.118 -9.498 -28.327 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.489 -10.611 -28.254 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.479 -13.463 -28.031 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.130 -12.838 -28.088 1.00 0.00 H new ATOM 263 N GLU A 17 -2.474 -8.200 -24.868 1.00 0.00 N ATOM 264 CA GLU A 17 -3.360 -7.052 -25.040 1.00 0.00 C ATOM 265 C GLU A 17 -3.408 -6.211 -23.763 1.00 0.00 C ATOM 266 O GLU A 17 -4.026 -5.148 -23.731 1.00 0.00 O ATOM 267 CB GLU A 17 -4.771 -7.540 -25.400 1.00 0.00 C ATOM 268 CG GLU A 17 -5.560 -6.421 -26.090 1.00 0.00 C ATOM 269 CD GLU A 17 -5.018 -6.196 -27.497 1.00 0.00 C ATOM 270 OE1 GLU A 17 -4.178 -6.974 -27.918 1.00 0.00 O ATOM 271 OE2 GLU A 17 -5.452 -5.250 -28.134 1.00 0.00 O ATOM 0 H GLU A 17 -2.954 -9.097 -24.788 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.974 -6.429 -25.847 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.707 -8.408 -26.057 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.294 -7.861 -24.499 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.617 -6.684 -26.136 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.485 -5.501 -25.511 1.00 0.00 H new ATOM 278 N ILE A 18 -2.746 -6.690 -22.712 1.00 0.00 N ATOM 279 CA ILE A 18 -2.723 -5.966 -21.441 1.00 0.00 C ATOM 280 C ILE A 18 -2.540 -4.469 -21.677 1.00 0.00 C ATOM 281 O ILE A 18 -1.873 -4.058 -22.625 1.00 0.00 O ATOM 282 CB ILE A 18 -1.582 -6.493 -20.565 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.612 -5.815 -19.188 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.241 -6.202 -21.246 1.00 0.00 C ATOM 285 CD1 ILE A 18 -2.903 -6.174 -18.436 1.00 0.00 C ATOM 0 H ILE A 18 -2.224 -7.566 -22.713 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.675 -6.125 -20.935 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.704 -7.568 -20.433 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.746 -6.127 -18.604 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.543 -4.734 -19.308 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.572 -6.576 -20.624 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.211 -6.696 -22.217 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.128 -5.126 -21.382 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.905 -5.684 -17.462 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.765 -5.839 -19.013 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.956 -7.254 -18.299 1.00 0.00 H new ATOM 297 N SER A 19 -3.133 -3.662 -20.805 1.00 0.00 N ATOM 298 CA SER A 19 -3.023 -2.214 -20.930 1.00 0.00 C ATOM 299 C SER A 19 -1.582 -1.770 -20.651 1.00 0.00 C ATOM 300 O SER A 19 -0.857 -2.437 -19.913 1.00 0.00 O ATOM 301 CB SER A 19 -3.991 -1.534 -19.950 1.00 0.00 C ATOM 302 OG SER A 19 -5.260 -1.388 -20.575 1.00 0.00 O ATOM 0 H SER A 19 -3.689 -3.981 -20.012 1.00 0.00 H new ATOM 0 HA SER A 19 -3.286 -1.921 -21.946 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.086 -2.129 -19.041 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.603 -0.559 -19.654 1.00 0.00 H new ATOM 0 HG SER A 19 -5.883 -0.956 -19.954 1.00 0.00 H new ATOM 308 N PRO A 20 -1.153 -0.673 -21.225 1.00 0.00 N ATOM 309 CA PRO A 20 0.236 -0.153 -21.025 1.00 0.00 C ATOM 310 C PRO A 20 0.489 0.270 -19.575 1.00 0.00 C ATOM 311 O PRO A 20 1.613 0.184 -19.081 1.00 0.00 O ATOM 312 CB PRO A 20 0.319 1.048 -21.988 1.00 0.00 C ATOM 313 CG PRO A 20 -1.099 1.475 -22.201 1.00 0.00 C ATOM 314 CD PRO A 20 -1.935 0.199 -22.121 1.00 0.00 C ATOM 0 HA PRO A 20 0.994 -0.910 -21.227 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.914 1.855 -21.561 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.792 0.767 -22.929 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.409 2.194 -21.442 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.220 1.961 -23.169 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.930 0.396 -21.721 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.070 -0.254 -23.103 1.00 0.00 H new ATOM 322 N ALA A 21 -0.561 0.735 -18.908 1.00 0.00 N ATOM 323 CA ALA A 21 -0.434 1.182 -17.524 1.00 0.00 C ATOM 324 C ALA A 21 -0.134 0.015 -16.584 1.00 0.00 C ATOM 325 O ALA A 21 0.837 0.046 -15.828 1.00 0.00 O ATOM 326 CB ALA A 21 -1.733 1.864 -17.085 1.00 0.00 C ATOM 0 H ALA A 21 -1.501 0.812 -19.297 1.00 0.00 H new ATOM 0 HA ALA A 21 0.398 1.885 -17.472 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.638 2.197 -16.052 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.928 2.723 -17.727 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.559 1.158 -17.163 1.00 0.00 H new ATOM 332 N TYR A 22 -0.975 -1.011 -16.638 1.00 0.00 N ATOM 333 CA TYR A 22 -0.798 -2.178 -15.783 1.00 0.00 C ATOM 334 C TYR A 22 0.535 -2.858 -16.083 1.00 0.00 C ATOM 335 O TYR A 22 1.279 -3.243 -15.173 1.00 0.00 O ATOM 336 CB TYR A 22 -1.948 -3.160 -16.017 1.00 0.00 C ATOM 337 CG TYR A 22 -1.767 -4.379 -15.147 1.00 0.00 C ATOM 338 CD1 TYR A 22 -0.898 -5.397 -15.548 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.470 -4.491 -13.939 1.00 0.00 C ATOM 340 CE1 TYR A 22 -0.730 -6.527 -14.743 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.303 -5.625 -13.136 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.432 -6.641 -13.538 1.00 0.00 C ATOM 343 OH TYR A 22 -1.266 -7.758 -12.744 1.00 0.00 O ATOM 0 H TYR A 22 -1.781 -1.059 -17.261 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.798 -1.859 -14.741 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.900 -2.679 -15.791 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.980 -3.453 -17.066 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.357 -5.311 -16.479 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.140 -3.703 -13.628 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.057 -7.314 -15.051 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.846 -5.715 -12.207 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.826 -7.677 -11.944 1.00 0.00 H new ATOM 353 N ARG A 23 0.830 -3.001 -17.366 1.00 0.00 N ATOM 354 CA ARG A 23 2.069 -3.637 -17.779 1.00 0.00 C ATOM 355 C ARG A 23 3.257 -2.862 -17.225 1.00 0.00 C ATOM 356 O ARG A 23 4.220 -3.448 -16.726 1.00 0.00 O ATOM 357 CB ARG A 23 2.140 -3.690 -19.303 1.00 0.00 C ATOM 358 CG ARG A 23 3.387 -4.459 -19.735 1.00 0.00 C ATOM 359 CD ARG A 23 3.427 -4.547 -21.263 1.00 0.00 C ATOM 360 NE ARG A 23 4.541 -5.391 -21.691 1.00 0.00 N ATOM 361 CZ ARG A 23 5.751 -4.884 -21.919 1.00 0.00 C ATOM 362 NH1 ARG A 23 5.964 -3.605 -21.771 1.00 0.00 N ATOM 363 NH2 ARG A 23 6.725 -5.669 -22.291 1.00 0.00 N ATOM 0 H ARG A 23 0.234 -2.688 -18.132 1.00 0.00 H new ATOM 0 HA ARG A 23 2.098 -4.654 -17.388 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.248 -4.172 -19.701 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.165 -2.679 -19.711 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.282 -3.959 -19.365 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.379 -5.459 -19.302 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.488 -4.955 -21.636 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.532 -3.549 -21.689 1.00 0.00 H new ATOM 0 HE ARG A 23 4.388 -6.391 -21.818 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.203 -2.992 -21.480 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.892 -3.219 -21.946 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.559 -6.669 -22.407 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.653 -5.283 -22.466 1.00 0.00 H new ATOM 377 N GLN A 24 3.176 -1.538 -17.302 1.00 0.00 N ATOM 378 CA GLN A 24 4.246 -0.698 -16.790 1.00 0.00 C ATOM 379 C GLN A 24 4.402 -0.924 -15.292 1.00 0.00 C ATOM 380 O GLN A 24 5.518 -0.935 -14.772 1.00 0.00 O ATOM 381 CB GLN A 24 3.941 0.779 -17.067 1.00 0.00 C ATOM 382 CG GLN A 24 5.193 1.631 -16.828 1.00 0.00 C ATOM 383 CD GLN A 24 5.472 1.740 -15.333 1.00 0.00 C ATOM 384 OE1 GLN A 24 4.543 1.719 -14.524 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.702 1.858 -14.915 1.00 0.00 N ATOM 0 H GLN A 24 2.390 -1.031 -17.709 1.00 0.00 H new ATOM 0 HA GLN A 24 5.176 -0.963 -17.293 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.600 0.901 -18.095 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.132 1.119 -16.420 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.049 1.185 -17.334 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.053 2.625 -17.254 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.469 1.875 -15.587 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.896 1.933 -13.917 1.00 0.00 H new ATOM 394 N LYS A 25 3.280 -1.119 -14.597 1.00 0.00 N ATOM 395 CA LYS A 25 3.336 -1.356 -13.158 1.00 0.00 C ATOM 396 C LYS A 25 4.161 -2.611 -12.873 1.00 0.00 C ATOM 397 O LYS A 25 5.019 -2.599 -11.992 1.00 0.00 O ATOM 398 CB LYS A 25 1.903 -1.506 -12.579 1.00 0.00 C ATOM 399 CG LYS A 25 1.453 -0.212 -11.881 1.00 0.00 C ATOM 400 CD LYS A 25 1.277 0.899 -12.914 1.00 0.00 C ATOM 401 CE LYS A 25 0.910 2.200 -12.200 1.00 0.00 C ATOM 402 NZ LYS A 25 2.107 2.727 -11.485 1.00 0.00 N ATOM 0 H LYS A 25 2.342 -1.118 -14.998 1.00 0.00 H new ATOM 0 HA LYS A 25 3.812 -0.502 -12.676 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.207 -1.752 -13.381 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.878 -2.334 -11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.515 -0.381 -11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.191 0.085 -11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.197 1.031 -13.484 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.497 0.629 -13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.551 2.934 -12.921 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.099 2.024 -11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.963 3.732 -11.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.248 2.193 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.946 2.624 -12.090 1.00 0.00 H new ATOM 416 N LEU A 26 3.917 -3.686 -13.620 1.00 0.00 N ATOM 417 CA LEU A 26 4.679 -4.917 -13.401 1.00 0.00 C ATOM 418 C LEU A 26 6.162 -4.686 -13.686 1.00 0.00 C ATOM 419 O LEU A 26 7.022 -5.176 -12.957 1.00 0.00 O ATOM 420 CB LEU A 26 4.153 -6.060 -14.297 1.00 0.00 C ATOM 421 CG LEU A 26 2.995 -6.812 -13.621 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.468 -7.507 -12.325 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.859 -5.836 -13.315 1.00 0.00 C ATOM 0 H LEU A 26 3.219 -3.733 -14.362 1.00 0.00 H new ATOM 0 HA LEU A 26 4.554 -5.204 -12.357 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.817 -5.652 -15.250 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.963 -6.756 -14.515 1.00 0.00 H new ATOM 0 HG LEU A 26 2.635 -7.583 -14.303 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.630 -8.032 -11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.257 -8.221 -12.562 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.852 -6.760 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.039 -6.371 -12.836 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.221 -5.054 -12.648 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.506 -5.386 -14.243 1.00 0.00 H new ATOM 435 N LEU A 27 6.455 -3.950 -14.748 1.00 0.00 N ATOM 436 CA LEU A 27 7.840 -3.683 -15.104 1.00 0.00 C ATOM 437 C LEU A 27 8.533 -2.903 -13.993 1.00 0.00 C ATOM 438 O LEU A 27 9.703 -3.141 -13.688 1.00 0.00 O ATOM 439 CB LEU A 27 7.909 -2.889 -16.410 1.00 0.00 C ATOM 440 CG LEU A 27 7.403 -3.749 -17.580 1.00 0.00 C ATOM 441 CD1 LEU A 27 7.333 -2.887 -18.844 1.00 0.00 C ATOM 442 CD2 LEU A 27 8.343 -4.949 -17.818 1.00 0.00 C ATOM 0 H LEU A 27 5.763 -3.532 -15.370 1.00 0.00 H new ATOM 0 HA LEU A 27 8.349 -4.637 -15.239 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.307 -1.984 -16.327 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.935 -2.573 -16.598 1.00 0.00 H new ATOM 0 HG LEU A 27 6.412 -4.131 -17.337 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.975 -3.492 -19.677 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.649 -2.054 -18.679 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.325 -2.501 -19.076 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.968 -5.545 -18.650 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.344 -4.586 -18.054 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.382 -5.564 -16.919 1.00 0.00 H new ATOM 454 N SER A 28 7.809 -1.966 -13.390 1.00 0.00 N ATOM 455 CA SER A 28 8.373 -1.153 -12.315 1.00 0.00 C ATOM 456 C SER A 28 8.358 -1.914 -10.995 1.00 0.00 C ATOM 457 O SER A 28 8.945 -1.469 -10.008 1.00 0.00 O ATOM 458 CB SER A 28 7.571 0.144 -12.164 1.00 0.00 C ATOM 459 OG SER A 28 6.187 -0.143 -12.310 1.00 0.00 O ATOM 0 H SER A 28 6.840 -1.751 -13.623 1.00 0.00 H new ATOM 0 HA SER A 28 9.406 -0.918 -12.572 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.761 0.592 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.885 0.870 -12.914 1.00 0.00 H new ATOM 0 HG SER A 28 5.958 -0.175 -13.262 1.00 0.00 H new ATOM 465 N LEU A 29 7.672 -3.052 -10.975 1.00 0.00 N ATOM 466 CA LEU A 29 7.570 -3.854 -9.762 1.00 0.00 C ATOM 467 C LEU A 29 8.552 -5.023 -9.810 1.00 0.00 C ATOM 468 O LEU A 29 8.563 -5.796 -10.768 1.00 0.00 O ATOM 469 CB LEU A 29 6.138 -4.386 -9.643 1.00 0.00 C ATOM 470 CG LEU A 29 5.840 -4.799 -8.192 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.482 -3.561 -7.355 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.663 -5.774 -8.178 1.00 0.00 C ATOM 0 H LEU A 29 7.181 -3.438 -11.781 1.00 0.00 H new ATOM 0 HA LEU A 29 7.814 -3.236 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.431 -3.621 -9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.004 -5.241 -10.306 1.00 0.00 H new ATOM 0 HG LEU A 29 6.723 -5.275 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.273 -3.864 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.318 -2.862 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.601 -3.078 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.448 -6.070 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.785 -5.291 -8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.915 -6.657 -8.765 1.00 0.00 H new ATOM 484 N GLY A 30 9.370 -5.147 -8.772 1.00 0.00 N ATOM 485 CA GLY A 30 10.347 -6.229 -8.708 1.00 0.00 C ATOM 486 C GLY A 30 9.682 -7.528 -8.275 1.00 0.00 C ATOM 487 O GLY A 30 10.341 -8.559 -8.134 1.00 0.00 O ATOM 0 H GLY A 30 9.378 -4.518 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.815 -6.362 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.140 -5.969 -8.007 1.00 0.00 H new ATOM 491 N MET A 31 8.366 -7.474 -8.074 1.00 0.00 N ATOM 492 CA MET A 31 7.600 -8.653 -7.666 1.00 0.00 C ATOM 493 C MET A 31 6.733 -9.127 -8.823 1.00 0.00 C ATOM 494 O MET A 31 5.521 -8.927 -8.835 1.00 0.00 O ATOM 495 CB MET A 31 6.715 -8.311 -6.468 1.00 0.00 C ATOM 496 CG MET A 31 7.596 -8.072 -5.240 1.00 0.00 C ATOM 497 SD MET A 31 6.554 -7.736 -3.795 1.00 0.00 S ATOM 498 CE MET A 31 6.118 -6.024 -4.192 1.00 0.00 C ATOM 0 H MET A 31 7.808 -6.628 -8.187 1.00 0.00 H new ATOM 0 HA MET A 31 8.292 -9.447 -7.384 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.121 -7.423 -6.682 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.015 -9.124 -6.275 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.222 -8.945 -5.054 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.267 -7.232 -5.420 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.334 -5.386 -3.335 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.701 -5.690 -5.050 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.056 -5.965 -4.430 1.00 0.00 H new ATOM 508 N LEU A 32 7.372 -9.753 -9.796 1.00 0.00 N ATOM 509 CA LEU A 32 6.667 -10.249 -10.973 1.00 0.00 C ATOM 510 C LEU A 32 5.956 -11.568 -10.637 1.00 0.00 C ATOM 511 O LEU A 32 6.222 -12.167 -9.597 1.00 0.00 O ATOM 512 CB LEU A 32 7.701 -10.445 -12.117 1.00 0.00 C ATOM 513 CG LEU A 32 7.553 -9.356 -13.204 1.00 0.00 C ATOM 514 CD1 LEU A 32 8.211 -8.061 -12.722 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.233 -9.823 -14.493 1.00 0.00 C ATOM 0 H LEU A 32 8.376 -9.931 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 32 5.908 -9.535 -11.294 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.710 -10.416 -11.706 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.567 -11.429 -12.566 1.00 0.00 H new ATOM 0 HG LEU A 32 6.495 -9.178 -13.396 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.107 -7.293 -13.488 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.727 -7.726 -11.805 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.269 -8.240 -12.529 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.128 -9.054 -15.259 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.291 -10.003 -14.302 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.765 -10.745 -14.838 1.00 0.00 H new ATOM 527 N PRO A 33 5.049 -12.012 -11.481 1.00 0.00 N ATOM 528 CA PRO A 33 4.282 -13.271 -11.254 1.00 0.00 C ATOM 529 C PRO A 33 5.150 -14.414 -10.736 1.00 0.00 C ATOM 530 O PRO A 33 6.360 -14.271 -10.564 1.00 0.00 O ATOM 531 CB PRO A 33 3.714 -13.612 -12.635 1.00 0.00 C ATOM 532 CG PRO A 33 3.613 -12.307 -13.361 1.00 0.00 C ATOM 533 CD PRO A 33 4.651 -11.356 -12.743 1.00 0.00 C ATOM 0 HA PRO A 33 3.518 -13.134 -10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.365 -14.307 -13.166 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.738 -14.090 -12.551 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.804 -12.444 -14.425 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.609 -11.893 -13.268 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.506 -11.217 -13.405 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.226 -10.369 -12.560 1.00 0.00 H new ATOM 541 N GLY A 34 4.512 -15.557 -10.503 1.00 0.00 N ATOM 542 CA GLY A 34 5.211 -16.742 -10.014 1.00 0.00 C ATOM 543 C GLY A 34 4.660 -17.173 -8.658 1.00 0.00 C ATOM 544 O GLY A 34 5.249 -18.011 -7.976 1.00 0.00 O ATOM 0 H GLY A 34 3.511 -15.688 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.103 -17.556 -10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.277 -16.532 -9.929 1.00 0.00 H new ATOM 548 N SER A 35 3.524 -16.592 -8.274 1.00 0.00 N ATOM 549 CA SER A 35 2.887 -16.917 -6.997 1.00 0.00 C ATOM 550 C SER A 35 1.369 -16.917 -7.145 1.00 0.00 C ATOM 551 O SER A 35 0.845 -17.028 -8.254 1.00 0.00 O ATOM 552 CB SER A 35 3.296 -15.898 -5.934 1.00 0.00 C ATOM 553 OG SER A 35 2.708 -14.640 -6.240 1.00 0.00 O ATOM 0 H SER A 35 3.026 -15.895 -8.827 1.00 0.00 H new ATOM 0 HA SER A 35 3.214 -17.911 -6.691 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.973 -16.234 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.382 -15.807 -5.900 1.00 0.00 H new ATOM 0 HG SER A 35 3.411 -13.999 -6.477 1.00 0.00 H new ATOM 559 N SER A 36 0.667 -16.794 -6.020 1.00 0.00 N ATOM 560 CA SER A 36 -0.797 -16.785 -6.027 1.00 0.00 C ATOM 561 C SER A 36 -1.330 -15.755 -5.039 1.00 0.00 C ATOM 562 O SER A 36 -0.596 -15.263 -4.182 1.00 0.00 O ATOM 563 CB SER A 36 -1.330 -18.169 -5.659 1.00 0.00 C ATOM 564 OG SER A 36 -0.996 -18.457 -4.308 1.00 0.00 O ATOM 0 H SER A 36 1.085 -16.699 -5.094 1.00 0.00 H new ATOM 0 HA SER A 36 -1.135 -16.521 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.411 -18.203 -5.793 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.903 -18.923 -6.320 1.00 0.00 H new ATOM 0 HG SER A 36 -1.338 -19.344 -4.068 1.00 0.00 H new ATOM 570 N PHE A 37 -2.618 -15.431 -5.167 1.00 0.00 N ATOM 571 CA PHE A 37 -3.250 -14.452 -4.283 1.00 0.00 C ATOM 572 C PHE A 37 -4.689 -14.860 -3.978 1.00 0.00 C ATOM 573 O PHE A 37 -5.235 -15.767 -4.609 1.00 0.00 O ATOM 574 CB PHE A 37 -3.241 -13.063 -4.935 1.00 0.00 C ATOM 575 CG PHE A 37 -4.246 -13.004 -6.067 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.871 -13.355 -7.369 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.563 -12.598 -5.804 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.809 -13.300 -8.408 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.498 -12.544 -6.842 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.122 -12.895 -8.142 1.00 0.00 C ATOM 0 H PHE A 37 -3.240 -15.830 -5.870 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.684 -14.417 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.478 -12.303 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.244 -12.838 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.858 -13.668 -7.573 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.854 -12.327 -4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.519 -13.570 -9.413 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.512 -12.231 -6.639 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.846 -12.854 -8.942 1.00 0.00 H new ATOM 590 N ASN A 38 -5.299 -14.176 -3.010 1.00 0.00 N ATOM 591 CA ASN A 38 -6.682 -14.456 -2.622 1.00 0.00 C ATOM 592 C ASN A 38 -7.524 -13.184 -2.708 1.00 0.00 C ATOM 593 O ASN A 38 -7.015 -12.062 -2.556 1.00 0.00 O ATOM 594 CB ASN A 38 -6.726 -15.008 -1.196 1.00 0.00 C ATOM 595 CG ASN A 38 -5.893 -14.132 -0.269 1.00 0.00 C ATOM 596 OD1 ASN A 38 -5.289 -13.157 -0.713 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.826 -14.424 1.000 1.00 0.00 N ATOM 0 H ASN A 38 -4.858 -13.424 -2.480 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.091 -15.199 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.757 -15.046 -0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.347 -16.030 -1.181 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.271 -13.843 1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.328 -15.233 1.364 1.00 0.00 H new ATOM 604 N VAL A 39 -8.817 -13.366 -2.962 1.00 0.00 N ATOM 605 CA VAL A 39 -9.731 -12.235 -3.079 1.00 0.00 C ATOM 606 C VAL A 39 -10.274 -11.846 -1.709 1.00 0.00 C ATOM 607 O VAL A 39 -10.845 -12.673 -1.000 1.00 0.00 O ATOM 608 CB VAL A 39 -10.902 -12.600 -3.999 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.723 -11.347 -4.318 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.371 -13.202 -5.301 1.00 0.00 C ATOM 0 H VAL A 39 -9.253 -14.279 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.183 -11.392 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.535 -13.329 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.553 -11.613 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.112 -10.921 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.089 -10.614 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.208 -13.459 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.732 -12.476 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.795 -14.100 -5.078 1.00 0.00 H new ATOM 620 N VAL A 40 -10.101 -10.583 -1.349 1.00 0.00 N ATOM 621 CA VAL A 40 -10.591 -10.092 -0.069 1.00 0.00 C ATOM 622 C VAL A 40 -12.117 -9.991 -0.071 1.00 0.00 C ATOM 623 O VAL A 40 -12.767 -10.304 0.928 1.00 0.00 O ATOM 624 CB VAL A 40 -9.952 -8.728 0.242 1.00 0.00 C ATOM 625 CG1 VAL A 40 -9.998 -7.832 -1.003 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.702 -8.047 1.396 1.00 0.00 C ATOM 0 H VAL A 40 -9.628 -9.883 -1.921 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.309 -10.800 0.711 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.913 -8.884 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.544 -6.868 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.449 -8.309 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.034 -7.682 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.243 -7.082 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.745 -7.898 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.652 -8.677 2.284 1.00 0.00 H new ATOM 636 N ARG A 41 -12.679 -9.543 -1.189 1.00 0.00 N ATOM 637 CA ARG A 41 -14.125 -9.390 -1.297 1.00 0.00 C ATOM 638 C ARG A 41 -14.523 -9.029 -2.724 1.00 0.00 C ATOM 639 O ARG A 41 -13.681 -8.650 -3.536 1.00 0.00 O ATOM 640 CB ARG A 41 -14.596 -8.289 -0.338 1.00 0.00 C ATOM 641 CG ARG A 41 -14.019 -6.935 -0.776 1.00 0.00 C ATOM 642 CD ARG A 41 -14.411 -5.859 0.241 1.00 0.00 C ATOM 643 NE ARG A 41 -13.758 -6.106 1.521 1.00 0.00 N ATOM 644 CZ ARG A 41 -13.988 -5.324 2.572 1.00 0.00 C ATOM 645 NH1 ARG A 41 -14.811 -4.317 2.469 1.00 0.00 N ATOM 646 NH2 ARG A 41 -13.388 -5.565 3.706 1.00 0.00 N ATOM 0 H ARG A 41 -12.160 -9.281 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.597 -10.336 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.685 -8.244 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.277 -8.519 0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.934 -6.998 -0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.395 -6.670 -1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.129 -4.875 -0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.493 -5.852 0.373 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.114 -6.892 1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.278 -4.129 1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.987 -3.718 3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.744 -6.352 3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.563 -4.966 4.513 1.00 0.00 H new ATOM 660 N VAL A 42 -15.818 -9.130 -3.013 1.00 0.00 N ATOM 661 CA VAL A 42 -16.332 -8.792 -4.337 1.00 0.00 C ATOM 662 C VAL A 42 -17.757 -8.265 -4.221 1.00 0.00 C ATOM 663 O VAL A 42 -18.699 -9.025 -4.005 1.00 0.00 O ATOM 664 CB VAL A 42 -16.300 -10.030 -5.242 1.00 0.00 C ATOM 665 CG1 VAL A 42 -14.854 -10.516 -5.368 1.00 0.00 C ATOM 666 CG2 VAL A 42 -17.177 -11.150 -4.641 1.00 0.00 C ATOM 0 H VAL A 42 -16.528 -9.442 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.703 -8.017 -4.776 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.691 -9.771 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.821 -11.396 -6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.241 -9.726 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.469 -10.772 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.147 -12.024 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.799 -11.419 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.205 -10.799 -4.552 1.00 0.00 H new ATOM 676 N ALA A 43 -17.911 -6.953 -4.359 1.00 0.00 N ATOM 677 CA ALA A 43 -19.228 -6.327 -4.269 1.00 0.00 C ATOM 678 C ALA A 43 -19.839 -6.158 -5.672 1.00 0.00 C ATOM 679 O ALA A 43 -19.342 -5.352 -6.458 1.00 0.00 O ATOM 680 CB ALA A 43 -19.097 -4.959 -3.601 1.00 0.00 C ATOM 0 H ALA A 43 -17.144 -6.303 -4.533 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.882 -6.966 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.079 -4.491 -3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.684 -5.081 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.434 -4.327 -4.192 1.00 0.00 H new ATOM 686 N PRO A 44 -20.890 -6.879 -6.014 1.00 0.00 N ATOM 687 CA PRO A 44 -21.534 -6.770 -7.357 1.00 0.00 C ATOM 688 C PRO A 44 -22.384 -5.504 -7.494 1.00 0.00 C ATOM 689 O PRO A 44 -22.856 -5.176 -8.584 1.00 0.00 O ATOM 690 CB PRO A 44 -22.376 -8.046 -7.468 1.00 0.00 C ATOM 691 CG PRO A 44 -22.728 -8.405 -6.059 1.00 0.00 C ATOM 692 CD PRO A 44 -21.590 -7.875 -5.171 1.00 0.00 C ATOM 0 HA PRO A 44 -20.801 -6.685 -8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.271 -7.877 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -21.816 -8.847 -7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.681 -7.961 -5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.834 -9.484 -5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.978 -7.420 -4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.919 -8.678 -4.866 1.00 0.00 H new ATOM 700 N LEU A 45 -22.594 -4.816 -6.378 1.00 0.00 N ATOM 701 CA LEU A 45 -23.415 -3.607 -6.376 1.00 0.00 C ATOM 702 C LEU A 45 -22.939 -2.626 -7.450 1.00 0.00 C ATOM 703 O LEU A 45 -23.738 -1.866 -7.997 1.00 0.00 O ATOM 704 CB LEU A 45 -23.337 -2.934 -4.996 1.00 0.00 C ATOM 705 CG LEU A 45 -24.279 -3.638 -4.012 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.854 -5.098 -3.849 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.206 -2.933 -2.656 1.00 0.00 C ATOM 0 H LEU A 45 -22.211 -5.071 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.446 -3.888 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.314 -2.971 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.607 -1.881 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.299 -3.600 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.525 -5.596 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.899 -5.600 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.834 -5.140 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -24.874 -3.429 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -23.184 -2.975 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.508 -1.892 -2.770 1.00 0.00 H new ATOM 719 N GLY A 46 -21.643 -2.645 -7.756 1.00 0.00 N ATOM 720 CA GLY A 46 -21.095 -1.750 -8.778 1.00 0.00 C ATOM 721 C GLY A 46 -19.665 -1.343 -8.444 1.00 0.00 C ATOM 722 O GLY A 46 -19.139 -0.381 -9.003 1.00 0.00 O ATOM 0 H GLY A 46 -20.959 -3.262 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.118 -2.245 -9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -21.720 -0.860 -8.859 1.00 0.00 H new ATOM 726 N ASP A 47 -19.040 -2.080 -7.528 1.00 0.00 N ATOM 727 CA ASP A 47 -17.662 -1.790 -7.119 1.00 0.00 C ATOM 728 C ASP A 47 -16.692 -2.708 -7.877 1.00 0.00 C ATOM 729 O ASP A 47 -17.068 -3.808 -8.278 1.00 0.00 O ATOM 730 CB ASP A 47 -17.517 -1.997 -5.591 1.00 0.00 C ATOM 731 CG ASP A 47 -18.883 -1.916 -4.910 1.00 0.00 C ATOM 732 OD1 ASP A 47 -19.762 -2.669 -5.296 1.00 0.00 O ATOM 733 OD2 ASP A 47 -19.028 -1.101 -4.013 1.00 0.00 O ATOM 0 H ASP A 47 -19.461 -2.880 -7.055 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.423 -0.754 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.061 -2.966 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.852 -1.240 -5.177 1.00 0.00 H new ATOM 738 N PRO A 48 -15.465 -2.289 -8.080 1.00 0.00 N ATOM 739 CA PRO A 48 -14.451 -3.114 -8.804 1.00 0.00 C ATOM 740 C PRO A 48 -14.085 -4.375 -8.024 1.00 0.00 C ATOM 741 O PRO A 48 -14.671 -4.666 -6.981 1.00 0.00 O ATOM 742 CB PRO A 48 -13.241 -2.174 -8.948 1.00 0.00 C ATOM 743 CG PRO A 48 -13.399 -1.167 -7.852 1.00 0.00 C ATOM 744 CD PRO A 48 -14.905 -0.993 -7.655 1.00 0.00 C ATOM 0 HA PRO A 48 -14.821 -3.473 -9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -12.303 -2.720 -8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.229 -1.694 -9.926 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.922 -1.511 -6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.929 -0.221 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -15.150 -0.772 -6.616 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -15.295 -0.172 -8.256 1.00 0.00 H new ATOM 752 N ILE A 49 -13.112 -5.122 -8.542 1.00 0.00 N ATOM 753 CA ILE A 49 -12.672 -6.353 -7.894 1.00 0.00 C ATOM 754 C ILE A 49 -11.523 -6.050 -6.942 1.00 0.00 C ATOM 755 O ILE A 49 -10.439 -5.649 -7.368 1.00 0.00 O ATOM 756 CB ILE A 49 -12.203 -7.357 -8.958 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.193 -7.341 -10.126 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.103 -8.778 -8.372 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.614 -7.614 -9.621 1.00 0.00 C ATOM 0 H ILE A 49 -12.616 -4.897 -9.404 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.504 -6.780 -7.333 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.211 -7.068 -9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.158 -6.374 -10.629 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.910 -8.094 -10.862 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.769 -9.468 -9.147 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.388 -8.783 -7.549 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.081 -9.090 -8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.308 -7.600 -10.462 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.647 -8.591 -9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.899 -6.845 -8.902 1.00 0.00 H new ATOM 771 N HIS A 50 -11.772 -6.246 -5.651 1.00 0.00 N ATOM 772 CA HIS A 50 -10.758 -5.993 -4.632 1.00 0.00 C ATOM 773 C HIS A 50 -10.034 -7.280 -4.281 1.00 0.00 C ATOM 774 O HIS A 50 -10.650 -8.247 -3.829 1.00 0.00 O ATOM 775 CB HIS A 50 -11.407 -5.429 -3.366 1.00 0.00 C ATOM 776 CG HIS A 50 -11.961 -4.059 -3.646 1.00 0.00 C ATOM 777 ND1 HIS A 50 -11.923 -3.042 -2.706 1.00 0.00 N ATOM 778 CD2 HIS A 50 -12.563 -3.521 -4.756 1.00 0.00 C ATOM 779 CE1 HIS A 50 -12.485 -1.953 -3.263 1.00 0.00 C ATOM 780 NE2 HIS A 50 -12.893 -2.192 -4.512 1.00 0.00 N ATOM 0 H HIS A 50 -12.665 -6.578 -5.286 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.047 -5.270 -5.031 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.204 -6.092 -3.028 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.673 -5.377 -2.562 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -11.539 -3.107 -1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.752 -4.049 -5.679 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.593 -1.003 -2.761 1.00 0.00 H new ATOM 788 N ILE A 51 -8.719 -7.284 -4.484 1.00 0.00 N ATOM 789 CA ILE A 51 -7.898 -8.454 -4.177 1.00 0.00 C ATOM 790 C ILE A 51 -6.766 -8.070 -3.240 1.00 0.00 C ATOM 791 O ILE A 51 -6.217 -6.968 -3.333 1.00 0.00 O ATOM 792 CB ILE A 51 -7.328 -9.055 -5.468 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.544 -7.990 -6.243 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.474 -9.563 -6.338 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.809 -8.642 -7.417 1.00 0.00 C ATOM 0 H ILE A 51 -8.199 -6.491 -4.859 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.524 -9.200 -3.687 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.661 -9.878 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.223 -7.220 -6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.830 -7.498 -5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.072 -9.991 -7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.032 -10.327 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.139 -8.735 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.253 -7.882 -7.965 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.118 -9.396 -7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.532 -9.113 -8.083 1.00 0.00 H new ATOM 807 N GLU A 52 -6.419 -8.984 -2.333 1.00 0.00 N ATOM 808 CA GLU A 52 -5.346 -8.731 -1.370 1.00 0.00 C ATOM 809 C GLU A 52 -4.286 -9.809 -1.473 1.00 0.00 C ATOM 810 O GLU A 52 -4.580 -10.998 -1.356 1.00 0.00 O ATOM 811 CB GLU A 52 -5.922 -8.701 0.049 1.00 0.00 C ATOM 812 CG GLU A 52 -4.909 -8.092 1.022 1.00 0.00 C ATOM 813 CD GLU A 52 -3.752 -9.058 1.247 1.00 0.00 C ATOM 814 OE1 GLU A 52 -3.988 -10.254 1.214 1.00 0.00 O ATOM 815 OE2 GLU A 52 -2.646 -8.587 1.454 1.00 0.00 O ATOM 0 H GLU A 52 -6.861 -9.899 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.889 -7.767 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.844 -8.119 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.178 -9.712 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.533 -7.149 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.395 -7.867 1.971 1.00 0.00 H new ATOM 822 N THR A 53 -3.046 -9.383 -1.692 1.00 0.00 N ATOM 823 CA THR A 53 -1.928 -10.313 -1.813 1.00 0.00 C ATOM 824 C THR A 53 -0.922 -10.036 -0.710 1.00 0.00 C ATOM 825 O THR A 53 -0.668 -8.882 -0.359 1.00 0.00 O ATOM 826 CB THR A 53 -1.255 -10.156 -3.186 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.196 -9.213 -3.084 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.278 -9.653 -4.222 1.00 0.00 C ATOM 0 H THR A 53 -2.790 -8.401 -1.789 1.00 0.00 H new ATOM 0 HA THR A 53 -2.298 -11.334 -1.720 1.00 0.00 H new ATOM 0 HB THR A 53 -0.866 -11.123 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.563 -8.305 -3.112 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.791 -9.545 -5.191 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.095 -10.370 -4.304 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.673 -8.688 -3.905 1.00 0.00 H new ATOM 836 N ARG A 54 -0.357 -11.100 -0.167 1.00 0.00 N ATOM 837 CA ARG A 54 0.607 -10.969 0.912 1.00 0.00 C ATOM 838 C ARG A 54 1.674 -9.953 0.535 1.00 0.00 C ATOM 839 O ARG A 54 2.116 -9.164 1.370 1.00 0.00 O ATOM 840 CB ARG A 54 1.257 -12.326 1.194 1.00 0.00 C ATOM 841 CG ARG A 54 0.182 -13.406 1.386 1.00 0.00 C ATOM 842 CD ARG A 54 -0.616 -13.134 2.665 1.00 0.00 C ATOM 843 NE ARG A 54 -1.393 -14.314 3.033 1.00 0.00 N ATOM 844 CZ ARG A 54 -0.835 -15.320 3.698 1.00 0.00 C ATOM 845 NH1 ARG A 54 0.431 -15.271 4.008 1.00 0.00 N ATOM 846 NH2 ARG A 54 -1.551 -16.357 4.036 1.00 0.00 N ATOM 0 H ARG A 54 -0.548 -12.060 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 54 0.092 -10.626 1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.914 -12.600 0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.879 -12.260 2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.488 -13.420 0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.649 -14.389 1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.062 -12.868 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.281 -12.284 2.514 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.379 -14.367 2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.991 -14.462 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.861 -16.042 4.518 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.540 -16.396 3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.122 -17.129 4.546 1.00 0.00 H new ATOM 860 N ARG A 55 2.080 -9.971 -0.726 1.00 0.00 N ATOM 861 CA ARG A 55 3.088 -9.036 -1.201 1.00 0.00 C ATOM 862 C ARG A 55 2.544 -7.607 -1.202 1.00 0.00 C ATOM 863 O ARG A 55 3.249 -6.666 -0.836 1.00 0.00 O ATOM 864 CB ARG A 55 3.518 -9.416 -2.616 1.00 0.00 C ATOM 865 CG ARG A 55 4.318 -10.718 -2.569 1.00 0.00 C ATOM 866 CD ARG A 55 4.719 -11.120 -3.986 1.00 0.00 C ATOM 867 NE ARG A 55 5.482 -12.365 -3.959 1.00 0.00 N ATOM 868 CZ ARG A 55 4.874 -13.549 -3.990 1.00 0.00 C ATOM 869 NH1 ARG A 55 3.572 -13.612 -4.042 1.00 0.00 N ATOM 870 NH2 ARG A 55 5.581 -14.646 -3.968 1.00 0.00 N ATOM 0 H ARG A 55 1.730 -10.617 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 55 3.945 -9.084 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.643 -9.537 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.122 -8.620 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.206 -10.589 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.722 -11.507 -2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.829 -11.244 -4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.315 -10.329 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 55 6.500 -12.327 -3.916 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.020 -12.754 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.106 -14.519 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.599 -14.596 -3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.116 -15.553 -3.992 1.00 0.00 H new ATOM 884 N VAL A 56 1.289 -7.450 -1.623 1.00 0.00 N ATOM 885 CA VAL A 56 0.670 -6.127 -1.674 1.00 0.00 C ATOM 886 C VAL A 56 -0.819 -6.244 -1.966 1.00 0.00 C ATOM 887 O VAL A 56 -1.332 -7.341 -2.189 1.00 0.00 O ATOM 888 CB VAL A 56 1.348 -5.277 -2.755 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.081 -5.890 -4.133 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.820 -3.827 -2.716 1.00 0.00 C ATOM 0 H VAL A 56 0.687 -8.214 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 56 0.797 -5.646 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 56 2.421 -5.260 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.564 -5.285 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.482 -6.903 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.007 -5.919 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.313 -3.239 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.256 -3.827 -2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.030 -3.390 -1.740 1.00 0.00 H new ATOM 900 N SER A 57 -1.509 -5.103 -1.980 1.00 0.00 N ATOM 901 CA SER A 57 -2.943 -5.077 -2.261 1.00 0.00 C ATOM 902 C SER A 57 -3.206 -4.407 -3.606 1.00 0.00 C ATOM 903 O SER A 57 -2.503 -3.475 -3.994 1.00 0.00 O ATOM 904 CB SER A 57 -3.682 -4.316 -1.163 1.00 0.00 C ATOM 905 OG SER A 57 -5.071 -4.301 -1.458 1.00 0.00 O ATOM 0 H SER A 57 -1.098 -4.187 -1.800 1.00 0.00 H new ATOM 0 HA SER A 57 -3.306 -6.104 -2.294 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.509 -4.789 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.302 -3.297 -1.092 1.00 0.00 H new ATOM 0 HG SER A 57 -5.550 -3.815 -0.754 1.00 0.00 H new ATOM 911 N LEU A 58 -4.221 -4.894 -4.321 1.00 0.00 N ATOM 912 CA LEU A 58 -4.565 -4.339 -5.632 1.00 0.00 C ATOM 913 C LEU A 58 -6.067 -4.436 -5.877 1.00 0.00 C ATOM 914 O LEU A 58 -6.725 -5.357 -5.399 1.00 0.00 O ATOM 915 CB LEU A 58 -3.808 -5.105 -6.730 1.00 0.00 C ATOM 916 CG LEU A 58 -4.132 -4.534 -8.122 1.00 0.00 C ATOM 917 CD1 LEU A 58 -3.661 -3.073 -8.227 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.422 -5.379 -9.187 1.00 0.00 C ATOM 0 H LEU A 58 -4.816 -5.665 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.277 -3.288 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.735 -5.043 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.077 -6.161 -6.694 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.210 -4.564 -8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.898 -2.685 -9.218 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.167 -2.472 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.584 -3.026 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.647 -4.981 -10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.346 -5.347 -9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.769 -6.410 -9.124 1.00 0.00 H new ATOM 930 N VAL A 59 -6.603 -3.483 -6.637 1.00 0.00 N ATOM 931 CA VAL A 59 -8.030 -3.472 -6.969 1.00 0.00 C ATOM 932 C VAL A 59 -8.210 -3.120 -8.439 1.00 0.00 C ATOM 933 O VAL A 59 -7.748 -2.075 -8.894 1.00 0.00 O ATOM 934 CB VAL A 59 -8.775 -2.459 -6.098 1.00 0.00 C ATOM 935 CG1 VAL A 59 -8.193 -1.059 -6.313 1.00 0.00 C ATOM 936 CG2 VAL A 59 -10.257 -2.461 -6.484 1.00 0.00 C ATOM 0 H VAL A 59 -6.073 -2.708 -7.035 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.442 -4.463 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.665 -2.733 -5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.728 -0.343 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.137 -1.058 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.299 -0.778 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.795 -1.741 -5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.360 -2.187 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.673 -3.456 -6.326 1.00 0.00 H new ATOM 946 N LEU A 60 -8.876 -4.002 -9.182 1.00 0.00 N ATOM 947 CA LEU A 60 -9.104 -3.780 -10.611 1.00 0.00 C ATOM 948 C LEU A 60 -10.503 -4.241 -11.005 1.00 0.00 C ATOM 949 O LEU A 60 -11.241 -4.782 -10.183 1.00 0.00 O ATOM 950 CB LEU A 60 -8.066 -4.544 -11.438 1.00 0.00 C ATOM 951 CG LEU A 60 -6.662 -3.965 -11.212 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.632 -4.875 -11.892 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.563 -2.540 -11.799 1.00 0.00 C ATOM 0 H LEU A 60 -9.266 -4.873 -8.822 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.010 -2.712 -10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.079 -5.599 -11.163 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.323 -4.487 -12.496 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.465 -3.912 -10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.631 -4.472 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.691 -5.875 -11.463 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.841 -4.926 -12.961 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.561 -2.145 -11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.764 -2.573 -12.870 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.294 -1.894 -11.312 1.00 0.00 H new ATOM 965 N ARG A 61 -10.864 -4.015 -12.267 1.00 0.00 N ATOM 966 CA ARG A 61 -12.182 -4.403 -12.764 1.00 0.00 C ATOM 967 C ARG A 61 -12.181 -5.849 -13.250 1.00 0.00 C ATOM 968 O ARG A 61 -11.129 -6.431 -13.495 1.00 0.00 O ATOM 969 CB ARG A 61 -12.600 -3.478 -13.899 1.00 0.00 C ATOM 970 CG ARG A 61 -12.887 -2.091 -13.328 1.00 0.00 C ATOM 971 CD ARG A 61 -13.304 -1.167 -14.460 1.00 0.00 C ATOM 972 NE ARG A 61 -13.561 0.177 -13.954 1.00 0.00 N ATOM 973 CZ ARG A 61 -14.225 1.070 -14.681 1.00 0.00 C ATOM 974 NH1 ARG A 61 -14.665 0.746 -15.866 1.00 0.00 N ATOM 975 NH2 ARG A 61 -14.440 2.267 -14.209 1.00 0.00 N ATOM 0 H ARG A 61 -10.265 -3.567 -12.961 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.894 -4.318 -11.943 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.811 -3.421 -14.649 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.486 -3.871 -14.398 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.676 -2.148 -12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.001 -1.699 -12.829 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.521 -1.133 -15.217 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.199 -1.557 -14.945 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.225 0.436 -13.026 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.499 -0.191 -16.233 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.175 1.430 -16.425 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.098 2.518 -13.281 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.950 2.952 -14.768 1.00 0.00 H new ATOM 989 N LYS A 62 -13.373 -6.420 -13.386 1.00 0.00 N ATOM 990 CA LYS A 62 -13.505 -7.800 -13.842 1.00 0.00 C ATOM 991 C LYS A 62 -12.862 -7.976 -15.214 1.00 0.00 C ATOM 992 O LYS A 62 -12.315 -9.037 -15.524 1.00 0.00 O ATOM 993 CB LYS A 62 -14.985 -8.179 -13.913 1.00 0.00 C ATOM 994 CG LYS A 62 -15.685 -7.311 -14.964 1.00 0.00 C ATOM 995 CD LYS A 62 -17.203 -7.515 -14.886 1.00 0.00 C ATOM 996 CE LYS A 62 -17.575 -8.922 -15.364 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.043 -8.985 -15.618 1.00 0.00 N ATOM 0 H LYS A 62 -14.258 -5.952 -13.188 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.995 -8.452 -13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.089 -9.233 -14.169 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.454 -8.039 -12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.442 -6.261 -14.801 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.326 -7.570 -15.960 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.544 -7.370 -13.861 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.709 -6.769 -15.499 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.026 -9.166 -16.274 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.292 -9.660 -14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.298 -9.939 -15.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.557 -8.769 -14.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.299 -8.291 -16.349 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.923 -6.930 -16.028 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.337 -6.981 -17.360 1.00 0.00 C ATOM 1013 C LYS A 63 -10.832 -7.204 -17.265 1.00 0.00 C ATOM 1014 O LYS A 63 -10.257 -7.980 -18.027 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.616 -5.671 -18.099 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.111 -5.547 -18.372 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.380 -4.230 -19.096 1.00 0.00 C ATOM 1018 CE LYS A 63 -15.875 -4.107 -19.365 1.00 0.00 C ATOM 1019 NZ LYS A 63 -16.153 -2.822 -20.065 1.00 0.00 N ATOM 0 H LYS A 63 -13.368 -6.043 -15.792 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.784 -7.809 -17.909 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.273 -4.825 -17.503 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.061 -5.645 -19.037 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.453 -6.386 -18.978 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.668 -5.582 -17.436 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.036 -3.391 -18.491 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.825 -4.196 -20.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.215 -4.945 -19.973 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.428 -4.149 -18.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.174 -2.740 -20.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.843 -2.028 -19.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.637 -2.800 -20.968 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.197 -6.522 -16.319 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.759 -6.655 -16.137 1.00 0.00 C ATOM 1035 C ASP A 64 -8.393 -8.100 -15.813 1.00 0.00 C ATOM 1036 O ASP A 64 -7.447 -8.649 -16.374 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.296 -5.747 -15.002 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.341 -4.287 -15.444 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.460 -4.052 -16.636 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.257 -3.425 -14.586 1.00 0.00 O ATOM 0 H ASP A 64 -10.651 -5.877 -15.672 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.264 -6.365 -17.063 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.933 -5.890 -14.129 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.282 -6.013 -14.704 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.157 -8.714 -14.919 1.00 0.00 N ATOM 1046 CA LEU A 65 -8.909 -10.100 -14.543 1.00 0.00 C ATOM 1047 C LEU A 65 -9.070 -11.008 -15.761 1.00 0.00 C ATOM 1048 O LEU A 65 -8.283 -11.932 -15.964 1.00 0.00 O ATOM 1049 CB LEU A 65 -9.885 -10.518 -13.426 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.342 -10.092 -12.051 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -8.930 -8.617 -12.078 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.422 -10.289 -10.997 1.00 0.00 C ATOM 0 H LEU A 65 -9.948 -8.279 -14.444 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.889 -10.196 -14.172 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.860 -10.061 -13.596 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.031 -11.598 -13.448 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.472 -10.703 -11.811 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.548 -8.328 -11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.154 -8.470 -12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.795 -8.002 -12.325 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.038 -9.988 -10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.291 -9.681 -11.249 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.711 -11.339 -10.964 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.085 -10.736 -16.575 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.318 -11.541 -17.768 1.00 0.00 C ATOM 1066 C ALA A 66 -9.086 -11.524 -18.673 1.00 0.00 C ATOM 1067 O ALA A 66 -8.618 -12.573 -19.116 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.524 -11.002 -18.537 1.00 0.00 C ATOM 0 H ALA A 66 -10.750 -9.976 -16.434 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.516 -12.567 -17.458 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.690 -11.610 -19.426 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.408 -11.041 -17.901 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.335 -9.970 -18.833 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.559 -10.330 -18.938 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.374 -10.202 -19.789 1.00 0.00 C ATOM 1076 C LEU A 67 -6.145 -10.812 -19.109 1.00 0.00 C ATOM 1077 O LEU A 67 -5.329 -11.463 -19.759 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.115 -8.717 -20.115 1.00 0.00 C ATOM 1079 CG LEU A 67 -7.898 -8.286 -21.371 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -7.300 -8.938 -22.639 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -9.376 -8.684 -21.225 1.00 0.00 C ATOM 0 H LEU A 67 -8.926 -9.448 -18.582 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.558 -10.745 -20.716 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.409 -8.098 -19.268 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.049 -8.556 -20.273 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.823 -7.203 -21.472 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.868 -8.620 -23.514 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.260 -8.631 -22.750 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.350 -10.023 -22.548 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.925 -8.377 -22.115 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.452 -9.765 -21.106 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.800 -8.192 -20.350 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.013 -10.596 -17.805 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.870 -11.127 -17.073 1.00 0.00 C ATOM 1095 C LEU A 68 -4.922 -12.646 -17.033 1.00 0.00 C ATOM 1096 O LEU A 68 -5.993 -13.234 -16.886 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.867 -10.576 -15.647 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.518 -9.080 -15.666 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -4.826 -8.473 -14.293 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.028 -8.874 -16.006 1.00 0.00 C ATOM 0 H LEU A 68 -6.674 -10.064 -17.239 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.957 -10.820 -17.584 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.845 -10.725 -15.188 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.144 -11.120 -15.039 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.117 -8.586 -16.431 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.580 -7.411 -14.301 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.885 -8.598 -14.069 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.232 -8.977 -13.531 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.801 -7.808 -16.015 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.412 -9.370 -15.256 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.817 -9.298 -16.988 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.760 -13.283 -17.175 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.707 -14.743 -17.161 1.00 0.00 C ATOM 1114 C GLU A 69 -3.645 -15.261 -15.725 1.00 0.00 C ATOM 1115 O GLU A 69 -2.624 -15.128 -15.046 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.483 -15.234 -17.937 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.582 -14.772 -19.392 1.00 0.00 C ATOM 1118 CD GLU A 69 -1.342 -15.211 -20.163 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.498 -15.861 -19.570 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -1.254 -14.887 -21.336 1.00 0.00 O ATOM 0 H GLU A 69 -2.859 -12.821 -17.299 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.611 -15.124 -17.637 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.571 -14.846 -17.482 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.423 -16.321 -17.893 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.476 -15.190 -19.855 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.680 -13.687 -19.432 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.749 -15.861 -15.273 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.832 -16.411 -13.917 1.00 0.00 C ATOM 1129 C VAL A 70 -5.406 -17.819 -13.953 1.00 0.00 C ATOM 1130 O VAL A 70 -6.080 -18.202 -14.910 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.722 -15.529 -13.037 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.054 -14.167 -12.817 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -7.076 -15.326 -13.726 1.00 0.00 C ATOM 0 H VAL A 70 -5.598 -15.978 -15.826 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.826 -16.440 -13.500 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.868 -16.016 -12.073 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.693 -13.545 -12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.091 -14.309 -12.326 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.902 -13.677 -13.779 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.712 -14.698 -13.101 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.924 -14.842 -14.691 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.556 -16.293 -13.876 1.00 0.00 H new ATOM 1143 N GLU A 71 -5.141 -18.584 -12.898 1.00 0.00 N ATOM 1144 CA GLU A 71 -5.640 -19.956 -12.805 1.00 0.00 C ATOM 1145 C GLU A 71 -6.027 -20.285 -11.373 1.00 0.00 C ATOM 1146 O GLU A 71 -5.246 -20.079 -10.445 1.00 0.00 O ATOM 1147 CB GLU A 71 -4.572 -20.945 -13.272 1.00 0.00 C ATOM 1148 CG GLU A 71 -4.365 -20.810 -14.783 1.00 0.00 C ATOM 1149 CD GLU A 71 -3.248 -21.742 -15.243 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -2.710 -22.446 -14.406 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -2.949 -21.735 -16.425 1.00 0.00 O ATOM 0 H GLU A 71 -4.586 -18.281 -12.098 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.518 -20.039 -13.446 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.635 -20.756 -12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.874 -21.963 -13.027 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.290 -21.051 -15.308 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.115 -19.779 -15.033 1.00 0.00 H new ATOM 1158 N ALA A 72 -7.232 -20.810 -11.202 1.00 0.00 N ATOM 1159 CA ALA A 72 -7.700 -21.176 -9.877 1.00 0.00 C ATOM 1160 C ALA A 72 -7.025 -22.468 -9.433 1.00 0.00 C ATOM 1161 O ALA A 72 -7.026 -23.460 -10.162 1.00 0.00 O ATOM 1162 CB ALA A 72 -9.218 -21.364 -9.891 1.00 0.00 C ATOM 0 H ALA A 72 -7.895 -20.990 -11.956 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.448 -20.379 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.560 -21.638 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.697 -20.434 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.480 -22.154 -10.594 1.00 0.00 H new ATOM 1168 N VAL A 73 -6.454 -22.451 -8.230 1.00 0.00 N ATOM 1169 CA VAL A 73 -5.777 -23.629 -7.685 1.00 0.00 C ATOM 1170 C VAL A 73 -6.302 -23.938 -6.287 1.00 0.00 C ATOM 1171 O VAL A 73 -6.813 -23.055 -5.598 1.00 0.00 O ATOM 1172 CB VAL A 73 -4.266 -23.387 -7.618 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -3.677 -23.438 -9.029 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -3.993 -22.009 -7.012 1.00 0.00 C ATOM 0 H VAL A 73 -6.446 -21.638 -7.615 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.977 -24.476 -8.341 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.807 -24.158 -6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.602 -23.266 -8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.868 -24.417 -9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.141 -22.667 -9.645 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.917 -21.839 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.455 -21.241 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.412 -21.964 -6.007 1.00 0.00 H new ATOM 1184 N SER A 74 -6.175 -25.198 -5.873 1.00 0.00 N ATOM 1185 CA SER A 74 -6.642 -25.623 -4.551 1.00 0.00 C ATOM 1186 C SER A 74 -5.462 -25.855 -3.612 1.00 0.00 C ATOM 1187 O SER A 74 -5.560 -25.624 -2.407 1.00 0.00 O ATOM 1188 CB SER A 74 -7.456 -26.911 -4.678 1.00 0.00 C ATOM 1189 OG SER A 74 -7.897 -27.316 -3.390 1.00 0.00 O ATOM 0 H SER A 74 -5.754 -25.941 -6.431 1.00 0.00 H new ATOM 0 HA SER A 74 -7.269 -24.834 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.311 -26.751 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.849 -27.695 -5.131 1.00 0.00 H new ATOM 0 HG SER A 74 -8.421 -28.141 -3.468 1.00 0.00 H new ATOM 1195 N SER A 75 -4.348 -26.310 -4.174 1.00 0.00 N ATOM 1196 CA SER A 75 -3.152 -26.568 -3.379 1.00 0.00 C ATOM 1197 C SER A 75 -2.499 -25.257 -2.953 1.00 0.00 C ATOM 1198 O SER A 75 -2.495 -24.283 -3.706 1.00 0.00 O ATOM 1199 CB SER A 75 -2.164 -27.395 -4.199 1.00 0.00 C ATOM 1200 OG SER A 75 -1.432 -26.529 -5.057 1.00 0.00 O ATOM 0 H SER A 75 -4.247 -26.507 -5.170 1.00 0.00 H new ATOM 0 HA SER A 75 -3.437 -27.120 -2.483 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.484 -27.932 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.696 -28.144 -4.786 1.00 0.00 H new ATOM 0 HG SER A 75 -1.703 -26.683 -5.986 1.00 0.00 H new ATOM 1206 N LEU A 76 -1.954 -25.234 -1.739 1.00 0.00 N ATOM 1207 CA LEU A 76 -1.308 -24.027 -1.229 1.00 0.00 C ATOM 1208 C LEU A 76 -0.079 -23.668 -2.059 1.00 0.00 C ATOM 1209 O LEU A 76 0.061 -22.531 -2.510 1.00 0.00 O ATOM 1210 CB LEU A 76 -0.901 -24.239 0.236 1.00 0.00 C ATOM 1211 CG LEU A 76 -0.126 -23.020 0.763 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -0.963 -21.743 0.592 1.00 0.00 C ATOM 1213 CD2 LEU A 76 0.192 -23.233 2.246 1.00 0.00 C ATOM 0 H LEU A 76 -1.946 -26.027 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.018 -23.203 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.789 -24.404 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.285 -25.134 0.322 1.00 0.00 H new ATOM 0 HG LEU A 76 0.799 -22.909 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.403 -20.887 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.187 -21.593 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.894 -21.841 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.742 -22.373 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.737 -23.347 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.798 -24.132 2.363 1.00 0.00 H new ATOM 1225 N GLU A 77 0.807 -24.646 -2.254 1.00 0.00 N ATOM 1226 CA GLU A 77 2.032 -24.433 -3.026 1.00 0.00 C ATOM 1227 C GLU A 77 2.593 -23.025 -2.807 1.00 0.00 C ATOM 1228 O GLU A 77 2.847 -22.292 -3.763 1.00 0.00 O ATOM 1229 CB GLU A 77 1.749 -24.656 -4.512 1.00 0.00 C ATOM 1230 CG GLU A 77 1.468 -26.141 -4.751 1.00 0.00 C ATOM 1231 CD GLU A 77 1.035 -26.366 -6.195 1.00 0.00 C ATOM 1232 OE1 GLU A 77 0.999 -25.400 -6.940 1.00 0.00 O ATOM 1233 OE2 GLU A 77 0.744 -27.501 -6.535 1.00 0.00 O ATOM 0 H GLU A 77 0.699 -25.592 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 77 2.779 -25.149 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.895 -24.056 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.602 -24.334 -5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.361 -26.727 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.689 -26.486 -4.071 1.00 0.00 H new ATOM 1240 N HIS A 78 2.782 -22.655 -1.541 1.00 0.00 N ATOM 1241 CA HIS A 78 3.308 -21.332 -1.210 1.00 0.00 C ATOM 1242 C HIS A 78 4.729 -21.165 -1.739 1.00 0.00 C ATOM 1243 O HIS A 78 5.073 -20.125 -2.302 1.00 0.00 O ATOM 1244 CB HIS A 78 3.306 -21.128 0.307 1.00 0.00 C ATOM 1245 CG HIS A 78 3.825 -19.754 0.630 1.00 0.00 C ATOM 1246 ND1 HIS A 78 4.887 -19.550 1.498 1.00 0.00 N ATOM 1247 CD2 HIS A 78 3.439 -18.506 0.210 1.00 0.00 C ATOM 1248 CE1 HIS A 78 5.099 -18.224 1.573 1.00 0.00 C ATOM 1249 NE2 HIS A 78 4.245 -17.541 0.807 1.00 0.00 N ATOM 0 H HIS A 78 2.581 -23.247 -0.735 1.00 0.00 H new ATOM 0 HA HIS A 78 2.666 -20.587 -1.680 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.296 -21.248 0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.927 -21.885 0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 78 2.632 -18.303 -0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.867 -17.767 2.179 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.194 -16.530 0.685 1.00 0.00 H new ATOM 1257 N HIS A 79 5.552 -22.191 -1.550 1.00 0.00 N ATOM 1258 CA HIS A 79 6.937 -22.145 -2.008 1.00 0.00 C ATOM 1259 C HIS A 79 7.567 -20.791 -1.691 1.00 0.00 C ATOM 1260 O HIS A 79 8.115 -20.588 -0.608 1.00 0.00 O ATOM 1261 CB HIS A 79 6.995 -22.393 -3.518 1.00 0.00 C ATOM 1262 CG HIS A 79 6.707 -23.841 -3.803 1.00 0.00 C ATOM 1263 ND1 HIS A 79 5.417 -24.342 -3.859 1.00 0.00 N ATOM 1264 CD2 HIS A 79 7.535 -24.909 -4.048 1.00 0.00 C ATOM 1265 CE1 HIS A 79 5.504 -25.658 -4.127 1.00 0.00 C ATOM 1266 NE2 HIS A 79 6.773 -26.054 -4.253 1.00 0.00 N ATOM 0 H HIS A 79 5.287 -23.060 -1.086 1.00 0.00 H new ATOM 0 HA HIS A 79 7.496 -22.922 -1.487 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.269 -21.760 -4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.979 -22.125 -3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.614 -24.866 -4.077 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.652 -26.314 -4.228 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.111 -26.995 -4.456 1.00 0.00 H new ATOM 1274 N HIS A 80 7.483 -19.868 -2.643 1.00 0.00 N ATOM 1275 CA HIS A 80 8.047 -18.537 -2.454 1.00 0.00 C ATOM 1276 C HIS A 80 9.467 -18.629 -1.903 1.00 0.00 C ATOM 1277 O HIS A 80 9.712 -18.314 -0.739 1.00 0.00 O ATOM 1278 CB HIS A 80 7.174 -17.733 -1.490 1.00 0.00 C ATOM 1279 CG HIS A 80 7.781 -16.373 -1.278 1.00 0.00 C ATOM 1280 ND1 HIS A 80 7.761 -15.393 -2.259 1.00 0.00 N ATOM 1281 CD2 HIS A 80 8.425 -15.814 -0.204 1.00 0.00 C ATOM 1282 CE1 HIS A 80 8.378 -14.306 -1.759 1.00 0.00 C ATOM 1283 NE2 HIS A 80 8.802 -14.509 -0.509 1.00 0.00 N ATOM 0 H HIS A 80 7.033 -20.015 -3.547 1.00 0.00 H new ATOM 0 HA HIS A 80 8.078 -18.035 -3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.166 -17.634 -1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.088 -18.257 -0.538 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.612 -16.311 0.736 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.514 -13.383 -2.302 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.296 -13.850 0.093 1.00 0.00 H new ATOM 1291 N HIS A 81 10.398 -19.062 -2.748 1.00 0.00 N ATOM 1292 CA HIS A 81 11.795 -19.192 -2.341 1.00 0.00 C ATOM 1293 C HIS A 81 12.520 -17.858 -2.488 1.00 0.00 C ATOM 1294 O HIS A 81 13.644 -17.697 -2.013 1.00 0.00 O ATOM 1295 CB HIS A 81 12.495 -20.250 -3.196 1.00 0.00 C ATOM 1296 CG HIS A 81 11.985 -21.616 -2.824 1.00 0.00 C ATOM 1297 ND1 HIS A 81 12.348 -22.242 -1.643 1.00 0.00 N ATOM 1298 CD2 HIS A 81 11.143 -22.488 -3.467 1.00 0.00 C ATOM 1299 CE1 HIS A 81 11.732 -23.437 -1.611 1.00 0.00 C ATOM 1300 NE2 HIS A 81 10.984 -23.637 -2.698 1.00 0.00 N ATOM 0 H HIS A 81 10.212 -19.328 -3.715 1.00 0.00 H new ATOM 0 HA HIS A 81 11.821 -19.497 -1.295 1.00 0.00 H new ATOM 0 HB2 HIS A 81 12.312 -20.058 -4.253 1.00 0.00 H new ATOM 0 HB3 HIS A 81 13.573 -20.199 -3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 81 10.675 -22.310 -4.424 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.831 -24.148 -0.804 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.417 -24.456 -2.918 1.00 0.00 H new ATOM 1308 N HIS A 82 11.870 -16.907 -3.149 1.00 0.00 N ATOM 1309 CA HIS A 82 12.466 -15.592 -3.353 1.00 0.00 C ATOM 1310 C HIS A 82 13.895 -15.725 -3.872 1.00 0.00 C ATOM 1311 O HIS A 82 14.113 -16.104 -5.022 1.00 0.00 O ATOM 1312 CB HIS A 82 12.462 -14.811 -2.036 1.00 0.00 C ATOM 1313 CG HIS A 82 13.106 -13.468 -2.246 1.00 0.00 C ATOM 1314 ND1 HIS A 82 12.512 -12.474 -3.006 1.00 0.00 N ATOM 1315 CD2 HIS A 82 14.292 -12.941 -1.798 1.00 0.00 C ATOM 1316 CE1 HIS A 82 13.335 -11.409 -2.995 1.00 0.00 C ATOM 1317 NE2 HIS A 82 14.434 -11.641 -2.273 1.00 0.00 N ATOM 0 H HIS A 82 10.939 -17.020 -3.550 1.00 0.00 H new ATOM 0 HA HIS A 82 11.876 -15.054 -4.095 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.440 -14.684 -1.680 1.00 0.00 H new ATOM 0 HB3 HIS A 82 13.000 -15.368 -1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.006 -13.457 -1.173 1.00 0.00 H new ATOM 0 HE1 HIS A 82 13.131 -10.480 -3.507 1.00 0.00 H new ATOM 0 HE2 HIS A 82 15.211 -11.002 -2.106 1.00 0.00 H new ATOM 1325 N HIS A 83 14.866 -15.410 -3.017 1.00 0.00 N ATOM 1326 CA HIS A 83 16.273 -15.499 -3.401 1.00 0.00 C ATOM 1327 C HIS A 83 16.795 -16.919 -3.199 1.00 0.00 C ATOM 1328 O HIS A 83 16.580 -17.738 -4.076 1.00 0.00 O ATOM 1329 CB HIS A 83 17.102 -14.524 -2.564 1.00 0.00 C ATOM 1330 CG HIS A 83 18.549 -14.630 -2.961 1.00 0.00 C ATOM 1331 ND1 HIS A 83 19.456 -15.396 -2.248 1.00 0.00 N ATOM 1332 CD2 HIS A 83 19.259 -14.072 -3.995 1.00 0.00 C ATOM 1333 CE1 HIS A 83 20.652 -15.281 -2.855 1.00 0.00 C ATOM 1334 NE2 HIS A 83 20.587 -14.485 -3.926 1.00 0.00 N ATOM 1335 OXT HIS A 83 17.403 -17.164 -2.171 1.00 0.00 O ATOM 0 H HIS A 83 14.706 -15.093 -2.061 1.00 0.00 H new ATOM 0 HA HIS A 83 16.361 -15.239 -4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 83 16.746 -13.505 -2.714 1.00 0.00 H new ATOM 0 HB3 HIS A 83 16.987 -14.749 -1.504 1.00 0.00 H new ATOM 0 HD1 HIS A 83 19.254 -15.947 -1.414 1.00 0.00 H new ATOM 0 HD2 HIS A 83 18.850 -13.413 -4.747 1.00 0.00 H new ATOM 0 HE1 HIS A 83 21.553 -15.772 -2.518 1.00 0.00 H new TER 1343 HIS A 83