USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 947 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 68 SER OG : rot 109:sc= 1.19 USER MOD Set 1.2: A 110 GLN : amide:sc= 1.87 K(o=3.1,f=-4.9!) USER MOD Set 2.1: A 29 THR OG1 : rot 167:sc= 0.139 USER MOD Set 2.2: A 116 LYS NZ :NH3+ 165:sc= 0.147 (180deg=0) USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0729) USER MOD Set 4.1: A 12 GLN : amide:sc= 0.0753 K(o=2.6,f=1.4) USER MOD Set 4.2: A 44 TYR OH : rot 85:sc= 1.63 USER MOD Set 4.3: A 104 TYR OH : rot 30:sc= 0.875 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0337) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -73:sc= 0.683 USER MOD Single : A 39 LYS NZ :NH3+ -142:sc= 0.793 (180deg=0.092) USER MOD Single : A 40 GLN : amide:sc= -0.345 X(o=-0.35,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.546) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.91 (180deg=-1.34) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.095) USER MOD Single : A 55 MET CE :methyl -159:sc= -0.143 (180deg=-0.759) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= 1.18 K(o=1.2,f=-0.19) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.142 K(o=-0.14,f=-4.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0579 F(o=-1.1,f=-0.058) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.0055) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0374 K(o=-0.037,f=-0.95) USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= 0.839 (180deg=0.476) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 48:sc= 0.878 USER MOD Single : A 107 MET CE :methyl -121:sc= -0.0695 (180deg=-0.567) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.313 5.184 -7.995 1.00 0.00 N ATOM 2 CA MET A 1 -19.904 5.506 -8.175 1.00 0.00 C ATOM 3 C MET A 1 -19.617 6.809 -7.491 1.00 0.00 C ATOM 4 O MET A 1 -20.116 7.857 -7.913 1.00 0.00 O ATOM 5 CB MET A 1 -19.543 5.627 -9.664 1.00 0.00 C ATOM 6 CG MET A 1 -19.683 4.342 -10.459 1.00 0.00 C ATOM 7 SD MET A 1 -19.273 4.564 -12.197 1.00 0.00 S ATOM 8 CE MET A 1 -19.504 2.898 -12.812 1.00 0.00 C ATOM 0 H1 MET A 1 -21.504 4.235 -8.376 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.547 5.204 -6.982 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.896 5.883 -8.498 1.00 0.00 H new ATOM 0 HA MET A 1 -19.306 4.703 -7.745 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.178 6.389 -10.117 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.515 5.979 -9.747 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.033 3.579 -10.030 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.706 3.974 -10.374 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.287 2.871 -13.880 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.830 2.220 -12.288 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.535 2.588 -12.643 1.00 0.00 H new ATOM 20 N ALA A 2 -18.858 6.746 -6.436 1.00 0.00 N ATOM 21 CA ALA A 2 -18.495 7.912 -5.680 1.00 0.00 C ATOM 22 C ALA A 2 -17.156 8.433 -6.158 1.00 0.00 C ATOM 23 O ALA A 2 -16.559 7.852 -7.078 1.00 0.00 O ATOM 24 CB ALA A 2 -18.419 7.564 -4.199 1.00 0.00 C ATOM 0 H ALA A 2 -18.469 5.876 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.251 8.684 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.143 8.452 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.390 7.203 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.669 6.788 -4.046 1.00 0.00 H new ATOM 30 N GLU A 3 -16.712 9.516 -5.526 1.00 0.00 N ATOM 31 CA GLU A 3 -15.432 10.167 -5.743 1.00 0.00 C ATOM 32 C GLU A 3 -15.223 10.675 -7.177 1.00 0.00 C ATOM 33 O GLU A 3 -14.948 9.903 -8.095 1.00 0.00 O ATOM 34 CB GLU A 3 -14.284 9.264 -5.321 1.00 0.00 C ATOM 35 CG GLU A 3 -14.324 8.782 -3.872 1.00 0.00 C ATOM 36 CD GLU A 3 -14.568 9.882 -2.858 1.00 0.00 C ATOM 37 OE1 GLU A 3 -13.954 10.972 -2.942 1.00 0.00 O ATOM 38 OE2 GLU A 3 -15.403 9.680 -1.960 1.00 0.00 O ATOM 0 H GLU A 3 -17.269 9.985 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.444 11.055 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.271 8.392 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.347 9.797 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.108 8.031 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.380 8.291 -3.638 1.00 0.00 H new ATOM 45 N GLY A 4 -15.368 11.981 -7.362 1.00 0.00 N ATOM 46 CA GLY A 4 -15.109 12.585 -8.661 1.00 0.00 C ATOM 47 C GLY A 4 -13.665 12.410 -9.059 1.00 0.00 C ATOM 48 O GLY A 4 -13.357 12.087 -10.206 1.00 0.00 O ATOM 0 H GLY A 4 -15.661 12.636 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.755 12.131 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.355 13.646 -8.628 1.00 0.00 H new ATOM 52 N GLY A 5 -12.791 12.632 -8.114 1.00 0.00 N ATOM 53 CA GLY A 5 -11.402 12.371 -8.311 1.00 0.00 C ATOM 54 C GLY A 5 -11.078 11.075 -7.636 1.00 0.00 C ATOM 55 O GLY A 5 -11.753 10.730 -6.657 1.00 0.00 O ATOM 0 H GLY A 5 -13.027 12.998 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.171 12.315 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.799 13.179 -7.896 1.00 0.00 H new ATOM 59 N ALA A 6 -10.073 10.367 -8.134 1.00 0.00 N ATOM 60 CA ALA A 6 -9.672 9.052 -7.618 1.00 0.00 C ATOM 61 C ALA A 6 -10.718 7.977 -7.968 1.00 0.00 C ATOM 62 O ALA A 6 -11.603 8.194 -8.812 1.00 0.00 O ATOM 63 CB ALA A 6 -9.371 9.094 -6.102 1.00 0.00 C ATOM 0 H ALA A 6 -9.503 10.688 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.741 8.776 -8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.078 8.101 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.560 9.797 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.263 9.414 -5.563 1.00 0.00 H new ATOM 69 N ALA A 7 -10.579 6.821 -7.371 1.00 0.00 N ATOM 70 CA ALA A 7 -11.465 5.710 -7.613 1.00 0.00 C ATOM 71 C ALA A 7 -12.448 5.552 -6.484 1.00 0.00 C ATOM 72 O ALA A 7 -12.198 6.019 -5.373 1.00 0.00 O ATOM 73 CB ALA A 7 -10.659 4.450 -7.709 1.00 0.00 C ATOM 0 H ALA A 7 -9.840 6.622 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.007 5.900 -8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.324 3.606 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.947 4.535 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.120 4.291 -6.775 1.00 0.00 H new ATOM 79 N ASP A 8 -13.555 4.878 -6.770 1.00 0.00 N ATOM 80 CA ASP A 8 -14.540 4.516 -5.748 1.00 0.00 C ATOM 81 C ASP A 8 -13.927 3.474 -4.891 1.00 0.00 C ATOM 82 O ASP A 8 -13.121 2.719 -5.379 1.00 0.00 O ATOM 83 CB ASP A 8 -15.797 3.958 -6.393 1.00 0.00 C ATOM 84 CG ASP A 8 -16.948 3.659 -5.437 1.00 0.00 C ATOM 85 OD1 ASP A 8 -16.880 2.685 -4.669 1.00 0.00 O ATOM 86 OD2 ASP A 8 -17.971 4.363 -5.493 1.00 0.00 O ATOM 0 H ASP A 8 -13.798 4.566 -7.710 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.816 5.396 -5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.146 4.668 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.537 3.040 -6.920 1.00 0.00 H new ATOM 91 N LEU A 9 -14.317 3.392 -3.648 1.00 0.00 N ATOM 92 CA LEU A 9 -13.694 2.452 -2.707 1.00 0.00 C ATOM 93 C LEU A 9 -13.854 1.046 -3.176 1.00 0.00 C ATOM 94 O LEU A 9 -12.933 0.232 -3.074 1.00 0.00 O ATOM 95 CB LEU A 9 -14.333 2.501 -1.377 1.00 0.00 C ATOM 96 CG LEU A 9 -14.556 3.829 -0.748 1.00 0.00 C ATOM 97 CD1 LEU A 9 -15.009 3.557 0.605 1.00 0.00 C ATOM 98 CD2 LEU A 9 -13.315 4.673 -0.729 1.00 0.00 C ATOM 0 H LEU A 9 -15.064 3.959 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.646 2.745 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.300 2.004 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.724 1.908 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.287 4.399 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.192 4.498 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.931 2.977 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.245 2.991 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.534 5.632 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.536 4.162 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.973 4.840 -1.750 1.00 0.00 H new ATOM 110 N ASP A 10 -15.014 0.788 -3.736 1.00 0.00 N ATOM 111 CA ASP A 10 -15.379 -0.566 -4.235 1.00 0.00 C ATOM 112 C ASP A 10 -14.423 -0.944 -5.327 1.00 0.00 C ATOM 113 O ASP A 10 -14.037 -2.098 -5.495 1.00 0.00 O ATOM 114 CB ASP A 10 -16.817 -0.572 -4.772 1.00 0.00 C ATOM 115 CG ASP A 10 -17.340 -1.949 -5.145 1.00 0.00 C ATOM 116 OD1 ASP A 10 -17.040 -2.462 -6.258 1.00 0.00 O ATOM 117 OD2 ASP A 10 -18.108 -2.530 -4.350 1.00 0.00 O ATOM 0 H ASP A 10 -15.743 1.489 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.319 -1.285 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.475 -0.138 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.867 0.073 -5.649 1.00 0.00 H new ATOM 122 N THR A 11 -13.998 0.061 -6.004 1.00 0.00 N ATOM 123 CA THR A 11 -13.092 -0.031 -7.029 1.00 0.00 C ATOM 124 C THR A 11 -11.658 -0.142 -6.479 1.00 0.00 C ATOM 125 O THR A 11 -10.947 -1.054 -6.846 1.00 0.00 O ATOM 126 CB THR A 11 -13.278 1.207 -7.891 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.454 1.088 -8.704 1.00 0.00 O ATOM 128 CG2 THR A 11 -12.067 1.549 -8.681 1.00 0.00 C ATOM 0 H THR A 11 -14.308 1.016 -5.826 1.00 0.00 H new ATOM 0 HA THR A 11 -13.256 -0.929 -7.625 1.00 0.00 H new ATOM 0 HB THR A 11 -13.427 2.052 -7.218 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.557 1.895 -9.250 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.261 2.441 -9.276 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.233 1.738 -8.005 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.817 0.719 -9.342 1.00 0.00 H new ATOM 136 N GLN A 12 -11.286 0.761 -5.551 1.00 0.00 N ATOM 137 CA GLN A 12 -9.930 0.845 -5.020 1.00 0.00 C ATOM 138 C GLN A 12 -9.428 -0.496 -4.525 1.00 0.00 C ATOM 139 O GLN A 12 -8.457 -1.033 -5.058 1.00 0.00 O ATOM 140 CB GLN A 12 -9.858 1.826 -3.865 1.00 0.00 C ATOM 141 CG GLN A 12 -10.510 3.162 -4.115 1.00 0.00 C ATOM 142 CD GLN A 12 -10.435 4.106 -2.936 1.00 0.00 C ATOM 143 OE1 GLN A 12 -10.305 3.691 -1.791 1.00 0.00 O ATOM 144 NE2 GLN A 12 -10.652 5.353 -3.181 1.00 0.00 N ATOM 0 H GLN A 12 -11.925 1.450 -5.154 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.302 1.182 -5.845 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.325 1.370 -2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.810 1.992 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.035 3.632 -4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.556 3.002 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.757 5.673 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.719 6.020 -2.412 1.00 0.00 H new ATOM 153 N ARG A 13 -10.114 -1.049 -3.527 1.00 0.00 N ATOM 154 CA ARG A 13 -9.726 -2.318 -2.957 1.00 0.00 C ATOM 155 C ARG A 13 -9.671 -3.446 -3.949 1.00 0.00 C ATOM 156 O ARG A 13 -8.771 -4.251 -3.916 1.00 0.00 O ATOM 157 CB ARG A 13 -10.593 -2.667 -1.776 1.00 0.00 C ATOM 158 CG ARG A 13 -12.066 -2.558 -1.989 1.00 0.00 C ATOM 159 CD ARG A 13 -12.709 -3.910 -2.244 1.00 0.00 C ATOM 160 NE ARG A 13 -14.156 -3.803 -2.320 1.00 0.00 N ATOM 161 CZ ARG A 13 -14.973 -4.708 -2.853 1.00 0.00 C ATOM 162 NH1 ARG A 13 -14.482 -5.781 -3.469 1.00 0.00 N ATOM 163 NH2 ARG A 13 -16.281 -4.532 -2.773 1.00 0.00 N ATOM 0 H ARG A 13 -10.941 -0.630 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.700 -2.187 -2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.365 -3.689 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.318 -2.018 -0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.525 -2.098 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.262 -1.899 -2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.324 -4.328 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.435 -4.601 -1.447 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.582 -2.962 -1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.473 -5.914 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.115 -6.470 -3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.657 -3.707 -2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.914 -5.221 -3.179 1.00 0.00 H new ATOM 177 N SER A 14 -10.591 -3.463 -4.842 1.00 0.00 N ATOM 178 CA SER A 14 -10.696 -4.542 -5.775 1.00 0.00 C ATOM 179 C SER A 14 -9.653 -4.421 -6.898 1.00 0.00 C ATOM 180 O SER A 14 -9.085 -5.426 -7.344 1.00 0.00 O ATOM 181 CB SER A 14 -12.092 -4.548 -6.330 1.00 0.00 C ATOM 182 OG SER A 14 -12.373 -5.743 -7.054 1.00 0.00 O ATOM 0 H SER A 14 -11.296 -2.734 -4.953 1.00 0.00 H new ATOM 0 HA SER A 14 -10.494 -5.485 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.807 -4.442 -5.514 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.226 -3.687 -6.985 1.00 0.00 H new ATOM 0 HG SER A 14 -13.290 -5.709 -7.398 1.00 0.00 H new ATOM 188 N ASP A 15 -9.380 -3.205 -7.326 1.00 0.00 N ATOM 189 CA ASP A 15 -8.443 -2.970 -8.415 1.00 0.00 C ATOM 190 C ASP A 15 -7.036 -3.276 -7.950 1.00 0.00 C ATOM 191 O ASP A 15 -6.260 -3.914 -8.644 1.00 0.00 O ATOM 192 CB ASP A 15 -8.520 -1.526 -8.889 1.00 0.00 C ATOM 193 CG ASP A 15 -7.898 -1.338 -10.246 1.00 0.00 C ATOM 194 OD1 ASP A 15 -6.702 -1.130 -10.344 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.625 -1.373 -11.255 1.00 0.00 O ATOM 0 H ASP A 15 -9.794 -2.358 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.706 -3.624 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.563 -1.212 -8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.016 -0.882 -8.168 1.00 0.00 H new ATOM 200 N ILE A 16 -6.734 -2.864 -6.737 1.00 0.00 N ATOM 201 CA ILE A 16 -5.446 -3.113 -6.141 1.00 0.00 C ATOM 202 C ILE A 16 -5.326 -4.591 -5.802 1.00 0.00 C ATOM 203 O ILE A 16 -4.254 -5.157 -5.912 1.00 0.00 O ATOM 204 CB ILE A 16 -5.252 -2.252 -4.861 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.269 -0.755 -5.175 1.00 0.00 C ATOM 206 CG2 ILE A 16 -4.005 -2.630 -4.091 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.194 -0.307 -6.132 1.00 0.00 C ATOM 0 H ILE A 16 -7.378 -2.347 -6.139 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.669 -2.837 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.104 -2.469 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.242 -0.495 -5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.163 -0.200 -4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.918 -1.998 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.068 -3.674 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.129 -2.490 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.280 0.767 -6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.214 -0.532 -5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.310 -0.832 -7.080 1.00 0.00 H new ATOM 219 N ALA A 17 -6.447 -5.231 -5.461 1.00 0.00 N ATOM 220 CA ALA A 17 -6.445 -6.669 -5.169 1.00 0.00 C ATOM 221 C ALA A 17 -6.011 -7.417 -6.414 1.00 0.00 C ATOM 222 O ALA A 17 -5.312 -8.433 -6.356 1.00 0.00 O ATOM 223 CB ALA A 17 -7.820 -7.131 -4.730 1.00 0.00 C ATOM 0 H ALA A 17 -7.360 -4.783 -5.380 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.751 -6.872 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.794 -8.200 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.115 -6.591 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.540 -6.935 -5.524 1.00 0.00 H new ATOM 229 N THR A 18 -6.342 -6.827 -7.539 1.00 0.00 N ATOM 230 CA THR A 18 -6.017 -7.310 -8.812 1.00 0.00 C ATOM 231 C THR A 18 -4.517 -7.142 -9.083 1.00 0.00 C ATOM 232 O THR A 18 -3.915 -7.911 -9.807 1.00 0.00 O ATOM 233 CB THR A 18 -6.901 -6.578 -9.859 1.00 0.00 C ATOM 234 OG1 THR A 18 -8.105 -7.291 -10.106 1.00 0.00 O ATOM 235 CG2 THR A 18 -6.180 -6.208 -11.145 1.00 0.00 C ATOM 0 H THR A 18 -6.871 -5.955 -7.565 1.00 0.00 H new ATOM 0 HA THR A 18 -6.221 -8.379 -8.880 1.00 0.00 H new ATOM 0 HB THR A 18 -7.158 -5.621 -9.405 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.642 -6.807 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.872 -5.701 -11.817 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.346 -5.545 -10.916 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.804 -7.112 -11.625 1.00 0.00 H new ATOM 243 N LEU A 19 -3.923 -6.202 -8.445 1.00 0.00 N ATOM 244 CA LEU A 19 -2.539 -5.911 -8.657 1.00 0.00 C ATOM 245 C LEU A 19 -1.655 -6.793 -7.804 1.00 0.00 C ATOM 246 O LEU A 19 -0.479 -6.950 -8.073 1.00 0.00 O ATOM 247 CB LEU A 19 -2.296 -4.464 -8.368 1.00 0.00 C ATOM 248 CG LEU A 19 -3.150 -3.511 -9.179 1.00 0.00 C ATOM 249 CD1 LEU A 19 -2.835 -2.178 -8.831 1.00 0.00 C ATOM 250 CD2 LEU A 19 -2.825 -3.573 -10.576 1.00 0.00 C ATOM 0 H LEU A 19 -4.379 -5.605 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.286 -6.119 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.477 -4.282 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.246 -4.240 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.186 -3.788 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.450 -1.494 -9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.029 -2.024 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.782 -1.987 -9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.457 -2.877 -11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.778 -3.304 -10.718 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.993 -4.585 -10.944 1.00 0.00 H new ATOM 262 N LEU A 20 -2.242 -7.385 -6.797 1.00 0.00 N ATOM 263 CA LEU A 20 -1.503 -8.257 -5.879 1.00 0.00 C ATOM 264 C LEU A 20 -1.468 -9.639 -6.447 1.00 0.00 C ATOM 265 O LEU A 20 -0.572 -10.430 -6.166 1.00 0.00 O ATOM 266 CB LEU A 20 -2.201 -8.282 -4.533 1.00 0.00 C ATOM 267 CG LEU A 20 -2.705 -6.928 -4.090 1.00 0.00 C ATOM 268 CD1 LEU A 20 -3.382 -7.002 -2.741 1.00 0.00 C ATOM 269 CD2 LEU A 20 -1.595 -5.877 -4.068 1.00 0.00 C ATOM 0 H LEU A 20 -3.234 -7.288 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.487 -7.883 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.041 -8.976 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.511 -8.668 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.442 -6.618 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.732 -6.010 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.231 -7.684 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.673 -7.365 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.006 -4.921 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.812 -6.189 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.175 -5.771 -5.068 1.00 0.00 H new ATOM 281 N LYS A 21 -2.471 -9.925 -7.241 1.00 0.00 N ATOM 282 CA LYS A 21 -2.586 -11.182 -7.918 1.00 0.00 C ATOM 283 C LYS A 21 -1.938 -11.103 -9.297 1.00 0.00 C ATOM 284 O LYS A 21 -1.863 -12.076 -10.050 1.00 0.00 O ATOM 285 CB LYS A 21 -4.046 -11.583 -7.968 1.00 0.00 C ATOM 286 CG LYS A 21 -4.994 -10.657 -8.644 1.00 0.00 C ATOM 287 CD LYS A 21 -4.911 -10.782 -10.183 1.00 0.00 C ATOM 288 CE LYS A 21 -6.045 -10.093 -10.910 1.00 0.00 C ATOM 289 NZ LYS A 21 -7.351 -10.750 -10.685 1.00 0.00 N ATOM 0 H LYS A 21 -3.237 -9.280 -7.434 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.049 -11.960 -7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.111 -12.551 -8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.390 -11.726 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.011 -10.872 -8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.774 -9.631 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.964 -10.361 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.906 -11.838 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.104 -9.055 -10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.830 -10.078 -11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.062 -10.336 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.265 -11.768 -10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.645 -10.609 -9.697 1.00 0.00 H new ATOM 303 N THR A 22 -1.529 -9.910 -9.602 1.00 0.00 N ATOM 304 CA THR A 22 -0.870 -9.541 -10.799 1.00 0.00 C ATOM 305 C THR A 22 0.566 -9.977 -10.775 1.00 0.00 C ATOM 306 O THR A 22 1.238 -9.957 -9.740 1.00 0.00 O ATOM 307 CB THR A 22 -1.064 -8.010 -11.006 1.00 0.00 C ATOM 308 OG1 THR A 22 -2.205 -7.738 -11.821 1.00 0.00 O ATOM 309 CG2 THR A 22 0.148 -7.224 -11.463 1.00 0.00 C ATOM 0 H THR A 22 -1.660 -9.119 -8.971 1.00 0.00 H new ATOM 0 HA THR A 22 -1.303 -10.051 -11.660 1.00 0.00 H new ATOM 0 HB THR A 22 -1.236 -7.636 -9.997 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.960 -7.483 -11.251 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.119 -6.173 -11.569 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.945 -7.323 -10.726 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.491 -7.610 -12.423 1.00 0.00 H new ATOM 317 N SER A 23 0.965 -10.456 -11.896 1.00 0.00 N ATOM 318 CA SER A 23 2.275 -10.928 -12.150 1.00 0.00 C ATOM 319 C SER A 23 3.313 -9.861 -11.892 1.00 0.00 C ATOM 320 O SER A 23 3.099 -8.674 -12.182 1.00 0.00 O ATOM 321 CB SER A 23 2.304 -11.364 -13.568 1.00 0.00 C ATOM 322 OG SER A 23 1.474 -12.491 -13.766 1.00 0.00 O ATOM 0 H SER A 23 0.350 -10.533 -12.706 1.00 0.00 H new ATOM 0 HA SER A 23 2.517 -11.753 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.975 -10.547 -14.211 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.327 -11.605 -13.858 1.00 0.00 H new ATOM 0 HG SER A 23 1.507 -12.760 -14.708 1.00 0.00 H new ATOM 328 N LEU A 24 4.428 -10.287 -11.368 1.00 0.00 N ATOM 329 CA LEU A 24 5.467 -9.386 -10.975 1.00 0.00 C ATOM 330 C LEU A 24 6.490 -9.082 -11.978 1.00 0.00 C ATOM 331 O LEU A 24 7.041 -8.022 -11.964 1.00 0.00 O ATOM 332 CB LEU A 24 6.026 -9.693 -9.625 1.00 0.00 C ATOM 333 CG LEU A 24 6.240 -11.119 -9.259 1.00 0.00 C ATOM 334 CD1 LEU A 24 7.148 -11.794 -10.227 1.00 0.00 C ATOM 335 CD2 LEU A 24 6.796 -11.144 -7.899 1.00 0.00 C ATOM 0 H LEU A 24 4.639 -11.271 -11.202 1.00 0.00 H new ATOM 0 HA LEU A 24 4.942 -8.434 -10.891 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.983 -9.180 -9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.360 -9.255 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 24 5.297 -11.664 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.285 -12.835 -9.933 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.711 -11.754 -11.225 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.114 -11.289 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.967 -12.177 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.740 -10.600 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.094 -10.674 -7.210 1.00 0.00 H new ATOM 347 N ARG A 25 6.657 -9.990 -12.819 1.00 0.00 N ATOM 348 CA ARG A 25 7.552 -10.001 -13.921 1.00 0.00 C ATOM 349 C ARG A 25 8.994 -9.947 -13.476 1.00 0.00 C ATOM 350 O ARG A 25 9.453 -8.965 -12.947 1.00 0.00 O ATOM 351 CB ARG A 25 7.229 -8.915 -14.908 1.00 0.00 C ATOM 352 CG ARG A 25 5.836 -8.983 -15.473 1.00 0.00 C ATOM 353 CD ARG A 25 4.830 -8.208 -14.644 1.00 0.00 C ATOM 354 NE ARG A 25 5.110 -6.769 -14.582 1.00 0.00 N ATOM 355 CZ ARG A 25 4.238 -5.811 -14.236 1.00 0.00 C ATOM 356 NH1 ARG A 25 3.048 -6.126 -13.720 1.00 0.00 N ATOM 357 NH2 ARG A 25 4.609 -4.542 -14.329 1.00 0.00 N ATOM 0 H ARG A 25 6.118 -10.855 -12.767 1.00 0.00 H new ATOM 0 HA ARG A 25 7.416 -10.952 -14.435 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.365 -7.948 -14.423 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.944 -8.963 -15.729 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.841 -8.591 -16.490 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.524 -10.025 -15.535 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.834 -8.359 -15.060 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.817 -8.612 -13.632 1.00 0.00 H new ATOM 0 HE ARG A 25 6.055 -6.470 -14.824 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.794 -7.104 -13.585 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.393 -5.388 -13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.545 -4.307 -14.660 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.959 -3.800 -14.070 1.00 0.00 H new ATOM 371 N LYS A 26 9.695 -11.011 -13.689 1.00 0.00 N ATOM 372 CA LYS A 26 11.090 -11.084 -13.258 1.00 0.00 C ATOM 373 C LYS A 26 11.951 -10.019 -13.929 1.00 0.00 C ATOM 374 O LYS A 26 12.147 -10.028 -15.155 1.00 0.00 O ATOM 375 CB LYS A 26 11.679 -12.486 -13.422 1.00 0.00 C ATOM 376 CG LYS A 26 11.033 -13.517 -12.509 1.00 0.00 C ATOM 377 CD LYS A 26 11.764 -14.842 -12.561 1.00 0.00 C ATOM 378 CE LYS A 26 11.153 -15.847 -11.597 1.00 0.00 C ATOM 379 NZ LYS A 26 11.911 -17.111 -11.565 1.00 0.00 N ATOM 0 H LYS A 26 9.346 -11.848 -14.155 1.00 0.00 H new ATOM 0 HA LYS A 26 11.096 -10.870 -12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.562 -12.803 -14.458 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.749 -12.450 -13.219 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.027 -13.144 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.993 -13.663 -12.802 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.729 -15.240 -13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.815 -14.690 -12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.122 -15.417 -10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.122 -16.049 -11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.462 -17.768 -10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.919 -17.535 -12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.888 -16.922 -11.262 1.00 0.00 H new ATOM 393 N GLY A 27 12.422 -9.093 -13.122 1.00 0.00 N ATOM 394 CA GLY A 27 13.201 -7.985 -13.601 1.00 0.00 C ATOM 395 C GLY A 27 12.393 -6.695 -13.665 1.00 0.00 C ATOM 396 O GLY A 27 12.867 -5.684 -14.202 1.00 0.00 O ATOM 0 H GLY A 27 12.272 -9.092 -12.113 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.062 -7.840 -12.948 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.589 -8.218 -14.593 1.00 0.00 H new ATOM 400 N ASP A 28 11.173 -6.730 -13.139 1.00 0.00 N ATOM 401 CA ASP A 28 10.290 -5.555 -13.133 1.00 0.00 C ATOM 402 C ASP A 28 10.573 -4.715 -11.881 1.00 0.00 C ATOM 403 O ASP A 28 11.445 -5.069 -11.061 1.00 0.00 O ATOM 404 CB ASP A 28 8.809 -5.998 -13.145 1.00 0.00 C ATOM 405 CG ASP A 28 7.844 -4.981 -13.733 1.00 0.00 C ATOM 406 OD1 ASP A 28 7.594 -3.935 -13.122 1.00 0.00 O ATOM 407 OD2 ASP A 28 7.320 -5.218 -14.834 1.00 0.00 O ATOM 0 H ASP A 28 10.766 -7.560 -12.708 1.00 0.00 H new ATOM 0 HA ASP A 28 10.482 -4.958 -14.025 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.727 -6.926 -13.711 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.503 -6.220 -12.123 1.00 0.00 H new ATOM 412 N THR A 29 9.833 -3.659 -11.710 1.00 0.00 N ATOM 413 CA THR A 29 10.029 -2.749 -10.633 1.00 0.00 C ATOM 414 C THR A 29 8.722 -2.547 -9.865 1.00 0.00 C ATOM 415 O THR A 29 7.723 -2.064 -10.409 1.00 0.00 O ATOM 416 CB THR A 29 10.541 -1.397 -11.156 1.00 0.00 C ATOM 417 OG1 THR A 29 11.724 -1.612 -11.953 1.00 0.00 O ATOM 418 CG2 THR A 29 10.878 -0.469 -10.002 1.00 0.00 C ATOM 0 H THR A 29 9.063 -3.406 -12.330 1.00 0.00 H new ATOM 0 HA THR A 29 10.775 -3.170 -9.960 1.00 0.00 H new ATOM 0 HB THR A 29 9.759 -0.937 -11.760 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.933 -0.797 -12.455 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.238 0.482 -10.393 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.986 -0.299 -9.400 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.652 -0.924 -9.384 1.00 0.00 H new ATOM 426 N TRP A 30 8.748 -2.912 -8.630 1.00 0.00 N ATOM 427 CA TRP A 30 7.633 -2.780 -7.749 1.00 0.00 C ATOM 428 C TRP A 30 7.924 -1.657 -6.790 1.00 0.00 C ATOM 429 O TRP A 30 9.059 -1.207 -6.690 1.00 0.00 O ATOM 430 CB TRP A 30 7.365 -4.101 -7.001 1.00 0.00 C ATOM 431 CG TRP A 30 6.683 -5.161 -7.859 1.00 0.00 C ATOM 432 CD1 TRP A 30 7.129 -5.722 -9.038 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.424 -5.806 -7.575 1.00 0.00 C ATOM 434 NE1 TRP A 30 6.208 -6.594 -9.513 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.156 -6.680 -8.624 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.493 -5.715 -6.539 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.993 -7.461 -8.670 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.352 -6.489 -6.583 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.113 -7.352 -7.644 1.00 0.00 C ATOM 0 H TRP A 30 9.570 -3.324 -8.189 1.00 0.00 H new ATOM 0 HA TRP A 30 6.732 -2.551 -8.318 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.311 -4.498 -6.632 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.743 -3.896 -6.130 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.073 -5.499 -9.512 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.281 -7.107 -10.391 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.665 -5.044 -5.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.804 -8.129 -9.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.633 -6.423 -5.780 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.211 -7.946 -7.652 1.00 0.00 H new ATOM 450 N TYR A 31 6.937 -1.190 -6.125 1.00 0.00 N ATOM 451 CA TYR A 31 7.096 -0.103 -5.201 1.00 0.00 C ATOM 452 C TYR A 31 6.642 -0.509 -3.841 1.00 0.00 C ATOM 453 O TYR A 31 5.629 -1.180 -3.711 1.00 0.00 O ATOM 454 CB TYR A 31 6.311 1.103 -5.673 1.00 0.00 C ATOM 455 CG TYR A 31 6.878 1.766 -6.900 1.00 0.00 C ATOM 456 CD1 TYR A 31 7.822 2.759 -6.777 1.00 0.00 C ATOM 457 CD2 TYR A 31 6.463 1.407 -8.179 1.00 0.00 C ATOM 458 CE1 TYR A 31 8.348 3.384 -7.878 1.00 0.00 C ATOM 459 CE2 TYR A 31 6.988 2.028 -9.293 1.00 0.00 C ATOM 460 CZ TYR A 31 7.929 3.020 -9.133 1.00 0.00 C ATOM 461 OH TYR A 31 8.469 3.637 -10.236 1.00 0.00 O ATOM 0 H TYR A 31 5.983 -1.545 -6.197 1.00 0.00 H new ATOM 0 HA TYR A 31 8.152 0.161 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.286 0.797 -5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.269 1.834 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.156 3.052 -5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.720 0.632 -8.301 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.089 4.160 -7.758 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.664 1.739 -10.282 1.00 0.00 H new ATOM 0 HH TYR A 31 8.067 3.265 -11.049 1.00 0.00 H new ATOM 471 N LEU A 32 7.395 -0.134 -2.838 1.00 0.00 N ATOM 472 CA LEU A 32 7.011 -0.461 -1.465 1.00 0.00 C ATOM 473 C LEU A 32 5.925 0.481 -0.944 1.00 0.00 C ATOM 474 O LEU A 32 5.821 1.627 -1.367 1.00 0.00 O ATOM 475 CB LEU A 32 8.180 -0.397 -0.441 1.00 0.00 C ATOM 476 CG LEU A 32 9.182 -1.542 -0.416 1.00 0.00 C ATOM 477 CD1 LEU A 32 9.991 -1.584 -1.654 1.00 0.00 C ATOM 478 CD2 LEU A 32 10.080 -1.464 0.789 1.00 0.00 C ATOM 0 H LEU A 32 8.265 0.390 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 32 6.656 -1.489 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.733 0.524 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.745 -0.314 0.555 1.00 0.00 H new ATOM 0 HG LEU A 32 8.605 -2.465 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.695 -2.414 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.334 -1.720 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.540 -0.649 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.782 -2.297 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.632 -0.524 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.477 -1.514 1.696 1.00 0.00 H new ATOM 490 N VAL A 33 5.157 -0.039 -0.035 1.00 0.00 N ATOM 491 CA VAL A 33 4.149 0.662 0.751 1.00 0.00 C ATOM 492 C VAL A 33 4.295 0.145 2.152 1.00 0.00 C ATOM 493 O VAL A 33 4.612 -1.013 2.316 1.00 0.00 O ATOM 494 CB VAL A 33 2.677 0.369 0.235 1.00 0.00 C ATOM 495 CG1 VAL A 33 1.614 0.654 1.280 1.00 0.00 C ATOM 496 CG2 VAL A 33 2.369 1.254 -0.887 1.00 0.00 C ATOM 0 H VAL A 33 5.210 -1.029 0.204 1.00 0.00 H new ATOM 0 HA VAL A 33 4.297 1.739 0.677 1.00 0.00 H new ATOM 0 HB VAL A 33 2.659 -0.688 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.630 0.434 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.788 0.029 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.660 1.704 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.358 1.053 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.440 2.292 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.079 1.078 -1.695 1.00 0.00 H new ATOM 506 N ASP A 34 4.148 0.974 3.153 1.00 0.00 N ATOM 507 CA ASP A 34 4.154 0.468 4.495 1.00 0.00 C ATOM 508 C ASP A 34 2.865 -0.296 4.697 1.00 0.00 C ATOM 509 O ASP A 34 1.800 0.098 4.217 1.00 0.00 O ATOM 510 CB ASP A 34 4.298 1.574 5.538 1.00 0.00 C ATOM 511 CG ASP A 34 3.055 2.376 5.723 1.00 0.00 C ATOM 512 OD1 ASP A 34 2.786 3.279 4.922 1.00 0.00 O ATOM 513 OD2 ASP A 34 2.336 2.105 6.701 1.00 0.00 O ATOM 0 H ASP A 34 4.025 1.983 3.065 1.00 0.00 H new ATOM 0 HA ASP A 34 5.019 -0.181 4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.580 1.129 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.110 2.238 5.243 1.00 0.00 H new ATOM 518 N SER A 35 2.942 -1.379 5.385 1.00 0.00 N ATOM 519 CA SER A 35 1.804 -2.236 5.516 1.00 0.00 C ATOM 520 C SER A 35 0.723 -1.608 6.364 1.00 0.00 C ATOM 521 O SER A 35 -0.434 -1.924 6.215 1.00 0.00 O ATOM 522 CB SER A 35 2.237 -3.536 6.116 1.00 0.00 C ATOM 523 OG SER A 35 2.963 -3.324 7.321 1.00 0.00 O ATOM 0 H SER A 35 3.781 -1.699 5.870 1.00 0.00 H new ATOM 0 HA SER A 35 1.383 -2.402 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.364 -4.156 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.857 -4.081 5.404 1.00 0.00 H new ATOM 0 HG SER A 35 3.850 -2.965 7.110 1.00 0.00 H new ATOM 529 N ARG A 36 1.109 -0.670 7.186 1.00 0.00 N ATOM 530 CA ARG A 36 0.223 -0.077 8.147 1.00 0.00 C ATOM 531 C ARG A 36 -0.761 0.845 7.477 1.00 0.00 C ATOM 532 O ARG A 36 -1.944 0.843 7.817 1.00 0.00 O ATOM 533 CB ARG A 36 1.024 0.662 9.189 1.00 0.00 C ATOM 534 CG ARG A 36 1.929 -0.236 9.977 1.00 0.00 C ATOM 535 CD ARG A 36 2.744 0.548 10.976 1.00 0.00 C ATOM 536 NE ARG A 36 3.429 -0.331 11.939 1.00 0.00 N ATOM 537 CZ ARG A 36 4.521 0.000 12.635 1.00 0.00 C ATOM 538 NH1 ARG A 36 5.112 1.182 12.427 1.00 0.00 N ATOM 539 NH2 ARG A 36 5.012 -0.847 13.545 1.00 0.00 N ATOM 0 H ARG A 36 2.057 -0.293 7.207 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.346 -0.869 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.621 1.433 8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.342 1.170 9.871 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.336 -0.987 10.498 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.595 -0.770 9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.482 1.152 10.448 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.093 1.238 11.514 1.00 0.00 H new ATOM 0 HE ARG A 36 3.041 -1.263 12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.729 1.829 11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.945 1.436 12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.553 -1.744 13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.845 -0.597 14.077 1.00 0.00 H new ATOM 553 N TRP A 37 -0.276 1.600 6.509 1.00 0.00 N ATOM 554 CA TRP A 37 -1.108 2.520 5.757 1.00 0.00 C ATOM 555 C TRP A 37 -2.142 1.716 5.003 1.00 0.00 C ATOM 556 O TRP A 37 -3.329 2.009 5.038 1.00 0.00 O ATOM 557 CB TRP A 37 -0.239 3.338 4.779 1.00 0.00 C ATOM 558 CG TRP A 37 -0.995 4.292 3.900 1.00 0.00 C ATOM 559 CD1 TRP A 37 -1.210 5.619 4.114 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.629 3.977 2.655 1.00 0.00 C ATOM 561 NE1 TRP A 37 -1.956 6.136 3.078 1.00 0.00 N ATOM 562 CE2 TRP A 37 -2.224 5.145 2.178 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.749 2.808 1.910 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.937 5.183 0.982 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -2.444 2.832 0.741 1.00 0.00 C ATOM 566 CH2 TRP A 37 -3.037 4.014 0.275 1.00 0.00 C ATOM 0 H TRP A 37 0.703 1.593 6.223 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.605 3.218 6.431 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.495 3.902 5.354 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.316 2.647 4.145 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.851 6.180 4.964 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.260 7.106 2.996 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.295 1.891 2.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.392 6.096 0.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.541 1.925 0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.582 4.003 -0.657 1.00 0.00 H new ATOM 577 N PHE A 38 -1.666 0.690 4.344 1.00 0.00 N ATOM 578 CA PHE A 38 -2.487 -0.195 3.579 1.00 0.00 C ATOM 579 C PHE A 38 -3.484 -0.928 4.481 1.00 0.00 C ATOM 580 O PHE A 38 -4.635 -1.058 4.127 1.00 0.00 O ATOM 581 CB PHE A 38 -1.598 -1.164 2.853 1.00 0.00 C ATOM 582 CG PHE A 38 -2.272 -2.035 1.810 1.00 0.00 C ATOM 583 CD1 PHE A 38 -2.977 -3.183 2.165 1.00 0.00 C ATOM 584 CD2 PHE A 38 -2.148 -1.727 0.464 1.00 0.00 C ATOM 585 CE1 PHE A 38 -3.540 -3.996 1.201 1.00 0.00 C ATOM 586 CE2 PHE A 38 -2.712 -2.533 -0.501 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.409 -3.670 -0.134 1.00 0.00 C ATOM 0 H PHE A 38 -0.675 0.447 4.328 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.069 0.375 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.801 -0.601 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.125 -1.814 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.085 -3.441 3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.602 -0.844 0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.081 -4.884 1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.610 -2.277 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.850 -4.302 -0.891 1.00 0.00 H new ATOM 597 N LYS A 39 -3.044 -1.415 5.638 1.00 0.00 N ATOM 598 CA LYS A 39 -3.959 -2.059 6.571 1.00 0.00 C ATOM 599 C LYS A 39 -5.034 -1.095 7.091 1.00 0.00 C ATOM 600 O LYS A 39 -6.184 -1.488 7.291 1.00 0.00 O ATOM 601 CB LYS A 39 -3.200 -2.783 7.676 1.00 0.00 C ATOM 602 CG LYS A 39 -2.435 -3.986 7.132 1.00 0.00 C ATOM 603 CD LYS A 39 -1.475 -4.587 8.142 1.00 0.00 C ATOM 604 CE LYS A 39 -0.704 -5.721 7.499 1.00 0.00 C ATOM 605 NZ LYS A 39 0.314 -6.326 8.400 1.00 0.00 N ATOM 0 H LYS A 39 -2.073 -1.377 5.948 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.508 -2.826 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.504 -2.093 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.900 -3.112 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.146 -4.749 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.878 -3.684 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.785 -3.824 8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.026 -4.954 9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.404 -6.494 7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.210 -5.352 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.163 -6.568 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.566 -5.646 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.075 -7.187 8.834 1.00 0.00 H new ATOM 619 N GLN A 40 -4.667 0.166 7.254 1.00 0.00 N ATOM 620 CA GLN A 40 -5.588 1.217 7.587 1.00 0.00 C ATOM 621 C GLN A 40 -6.563 1.407 6.429 1.00 0.00 C ATOM 622 O GLN A 40 -7.781 1.544 6.630 1.00 0.00 O ATOM 623 CB GLN A 40 -4.763 2.467 7.792 1.00 0.00 C ATOM 624 CG GLN A 40 -5.532 3.717 7.994 1.00 0.00 C ATOM 625 CD GLN A 40 -6.219 3.779 9.329 1.00 0.00 C ATOM 626 OE1 GLN A 40 -5.659 4.289 10.293 1.00 0.00 O ATOM 627 NE2 GLN A 40 -7.419 3.270 9.403 1.00 0.00 N ATOM 0 H GLN A 40 -3.703 0.483 7.155 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.163 0.986 8.484 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.116 2.316 8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.113 2.597 6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.859 4.569 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.277 3.809 7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.849 2.855 8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.927 3.287 10.287 1.00 0.00 H new ATOM 636 N TRP A 41 -6.010 1.402 5.237 1.00 0.00 N ATOM 637 CA TRP A 41 -6.746 1.515 4.008 1.00 0.00 C ATOM 638 C TRP A 41 -7.757 0.391 3.878 1.00 0.00 C ATOM 639 O TRP A 41 -8.881 0.648 3.508 1.00 0.00 O ATOM 640 CB TRP A 41 -5.765 1.556 2.818 1.00 0.00 C ATOM 641 CG TRP A 41 -6.386 1.563 1.453 1.00 0.00 C ATOM 642 CD1 TRP A 41 -7.020 2.595 0.833 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.384 0.486 0.525 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.439 2.214 -0.413 1.00 0.00 N ATOM 645 CE2 TRP A 41 -7.050 0.925 -0.631 1.00 0.00 C ATOM 646 CE3 TRP A 41 -5.888 -0.809 0.564 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -7.226 0.111 -1.734 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -6.064 -1.612 -0.533 1.00 0.00 C ATOM 649 CH2 TRP A 41 -6.724 -1.152 -1.664 1.00 0.00 C ATOM 0 H TRP A 41 -5.003 1.316 5.097 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.312 2.447 4.010 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.143 2.445 2.917 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.102 0.694 2.889 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.171 3.574 1.263 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.957 2.798 -1.070 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.374 -1.177 1.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.741 0.463 -2.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.682 -2.622 -0.517 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.842 -1.813 -2.510 1.00 0.00 H new ATOM 660 N LYS A 42 -7.366 -0.848 4.239 1.00 0.00 N ATOM 661 CA LYS A 42 -8.259 -1.996 4.161 1.00 0.00 C ATOM 662 C LYS A 42 -9.552 -1.765 4.899 1.00 0.00 C ATOM 663 O LYS A 42 -10.616 -2.125 4.405 1.00 0.00 O ATOM 664 CB LYS A 42 -7.617 -3.237 4.710 1.00 0.00 C ATOM 665 CG LYS A 42 -6.336 -3.571 4.034 1.00 0.00 C ATOM 666 CD LYS A 42 -5.861 -4.946 4.371 1.00 0.00 C ATOM 667 CE LYS A 42 -5.772 -5.230 5.863 1.00 0.00 C ATOM 668 NZ LYS A 42 -5.462 -6.653 6.125 1.00 0.00 N ATOM 0 H LYS A 42 -6.433 -1.068 4.587 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.472 -2.130 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.436 -3.105 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.307 -4.074 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.464 -3.487 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.575 -2.845 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.534 -5.672 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.878 -5.098 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.002 -4.600 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.715 -4.968 6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.828 -6.725 6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.343 -7.170 6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.997 -7.066 5.291 1.00 0.00 H new ATOM 682 N LYS A 43 -9.445 -1.165 6.069 1.00 0.00 N ATOM 683 CA LYS A 43 -10.590 -0.839 6.894 1.00 0.00 C ATOM 684 C LYS A 43 -11.469 0.151 6.181 1.00 0.00 C ATOM 685 O LYS A 43 -12.671 -0.045 6.035 1.00 0.00 O ATOM 686 CB LYS A 43 -10.099 -0.190 8.169 1.00 0.00 C ATOM 687 CG LYS A 43 -9.310 -1.096 9.068 1.00 0.00 C ATOM 688 CD LYS A 43 -8.747 -0.320 10.225 1.00 0.00 C ATOM 689 CE LYS A 43 -8.097 -1.241 11.230 1.00 0.00 C ATOM 690 NZ LYS A 43 -7.606 -0.526 12.423 1.00 0.00 N ATOM 0 H LYS A 43 -8.552 -0.888 6.476 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.150 -1.750 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.481 0.670 7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.958 0.190 8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.948 -1.900 9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.501 -1.563 8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.015 0.402 9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.542 0.248 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.815 -2.002 11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.265 -1.761 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.170 -1.205 13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.900 0.182 12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.402 -0.051 12.895 1.00 0.00 H new ATOM 704 N TYR A 44 -10.831 1.184 5.696 1.00 0.00 N ATOM 705 CA TYR A 44 -11.478 2.305 5.096 1.00 0.00 C ATOM 706 C TYR A 44 -12.185 1.929 3.795 1.00 0.00 C ATOM 707 O TYR A 44 -13.294 2.378 3.519 1.00 0.00 O ATOM 708 CB TYR A 44 -10.410 3.406 4.885 1.00 0.00 C ATOM 709 CG TYR A 44 -10.492 4.171 3.596 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.371 5.228 3.411 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.673 3.812 2.553 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.411 5.891 2.201 1.00 0.00 C ATOM 713 CE2 TYR A 44 -9.711 4.457 1.365 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.563 5.484 1.184 1.00 0.00 C ATOM 715 OH TYR A 44 -10.585 6.103 -0.033 1.00 0.00 O ATOM 0 H TYR A 44 -9.814 1.264 5.712 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.265 2.676 5.752 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.482 4.115 5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.425 2.944 4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.025 5.533 4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.981 2.994 2.685 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.093 6.715 2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.058 4.149 0.562 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.015 6.900 -0.005 1.00 0.00 H new ATOM 725 N VAL A 45 -11.540 1.124 3.019 1.00 0.00 N ATOM 726 CA VAL A 45 -12.000 0.781 1.747 1.00 0.00 C ATOM 727 C VAL A 45 -12.900 -0.476 1.762 1.00 0.00 C ATOM 728 O VAL A 45 -13.700 -0.674 0.850 1.00 0.00 O ATOM 729 CB VAL A 45 -10.784 0.564 0.852 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.080 -0.714 1.098 1.00 0.00 C ATOM 731 CG2 VAL A 45 -11.101 0.732 -0.522 1.00 0.00 C ATOM 0 H VAL A 45 -10.656 0.683 3.274 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.622 1.591 1.365 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.078 1.346 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.228 -0.795 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.731 -0.744 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.763 -1.545 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.207 0.569 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.868 0.013 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.471 1.744 -0.689 1.00 0.00 H new ATOM 741 N GLY A 46 -12.792 -1.303 2.795 1.00 0.00 N ATOM 742 CA GLY A 46 -13.525 -2.517 2.820 1.00 0.00 C ATOM 743 C GLY A 46 -12.792 -3.613 2.078 1.00 0.00 C ATOM 744 O GLY A 46 -13.404 -4.478 1.452 1.00 0.00 O ATOM 0 H GLY A 46 -12.202 -1.138 3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.693 -2.823 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.506 -2.362 2.370 1.00 0.00 H new ATOM 748 N PHE A 47 -11.473 -3.561 2.139 1.00 0.00 N ATOM 749 CA PHE A 47 -10.625 -4.534 1.487 1.00 0.00 C ATOM 750 C PHE A 47 -10.653 -5.831 2.259 1.00 0.00 C ATOM 751 O PHE A 47 -10.712 -6.907 1.678 1.00 0.00 O ATOM 752 CB PHE A 47 -9.186 -4.008 1.419 1.00 0.00 C ATOM 753 CG PHE A 47 -8.220 -4.867 0.659 1.00 0.00 C ATOM 754 CD1 PHE A 47 -7.572 -5.908 1.279 1.00 0.00 C ATOM 755 CD2 PHE A 47 -7.959 -4.619 -0.664 1.00 0.00 C ATOM 756 CE1 PHE A 47 -6.677 -6.696 0.590 1.00 0.00 C ATOM 757 CE2 PHE A 47 -7.063 -5.396 -1.368 1.00 0.00 C ATOM 758 CZ PHE A 47 -6.420 -6.438 -0.737 1.00 0.00 C ATOM 0 H PHE A 47 -10.961 -2.838 2.645 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.992 -4.707 0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.201 -3.018 0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.814 -3.886 2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.767 -6.111 2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.462 -3.803 -1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.179 -7.514 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.866 -5.188 -2.409 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.717 -7.050 -1.282 1.00 0.00 H new ATOM 768 N ASP A 48 -10.617 -5.732 3.566 1.00 0.00 N ATOM 769 CA ASP A 48 -10.597 -6.923 4.377 1.00 0.00 C ATOM 770 C ASP A 48 -12.030 -7.312 4.630 1.00 0.00 C ATOM 771 O ASP A 48 -12.799 -6.535 5.180 1.00 0.00 O ATOM 772 CB ASP A 48 -9.847 -6.703 5.685 1.00 0.00 C ATOM 773 CG ASP A 48 -9.153 -7.965 6.149 1.00 0.00 C ATOM 774 OD1 ASP A 48 -9.775 -9.042 6.178 1.00 0.00 O ATOM 775 OD2 ASP A 48 -7.929 -7.912 6.428 1.00 0.00 O ATOM 0 H ASP A 48 -10.601 -4.853 4.084 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.067 -7.721 3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.111 -5.910 5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.544 -6.367 6.453 1.00 0.00 H new ATOM 780 N SER A 49 -12.378 -8.495 4.229 1.00 0.00 N ATOM 781 CA SER A 49 -13.750 -8.959 4.164 1.00 0.00 C ATOM 782 C SER A 49 -14.547 -8.984 5.473 1.00 0.00 C ATOM 783 O SER A 49 -15.771 -9.072 5.416 1.00 0.00 O ATOM 784 CB SER A 49 -13.785 -10.316 3.539 1.00 0.00 C ATOM 785 OG SER A 49 -13.168 -10.303 2.258 1.00 0.00 O ATOM 0 H SER A 49 -11.701 -9.195 3.926 1.00 0.00 H new ATOM 0 HA SER A 49 -14.254 -8.203 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.275 -11.031 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.818 -10.651 3.446 1.00 0.00 H new ATOM 0 HG SER A 49 -13.202 -11.202 1.870 1.00 0.00 H new ATOM 791 N TRP A 50 -13.934 -8.901 6.624 1.00 0.00 N ATOM 792 CA TRP A 50 -14.672 -8.973 7.787 1.00 0.00 C ATOM 793 C TRP A 50 -14.783 -7.583 8.343 1.00 0.00 C ATOM 794 O TRP A 50 -15.612 -7.303 9.220 1.00 0.00 O ATOM 795 CB TRP A 50 -13.934 -9.895 8.758 1.00 0.00 C ATOM 796 CG TRP A 50 -12.572 -9.393 9.228 1.00 0.00 C ATOM 797 CD1 TRP A 50 -11.353 -9.663 8.724 1.00 0.00 C ATOM 798 CD2 TRP A 50 -12.358 -8.540 10.308 1.00 0.00 C ATOM 799 NE1 TRP A 50 -10.385 -9.044 9.474 1.00 0.00 N ATOM 800 CE2 TRP A 50 -10.993 -8.340 10.463 1.00 0.00 C ATOM 801 CE3 TRP A 50 -13.215 -7.957 11.135 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -10.473 -7.543 11.477 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -12.755 -7.153 12.152 1.00 0.00 C ATOM 804 CH2 TRP A 50 -11.381 -6.955 12.325 1.00 0.00 C ATOM 0 H TRP A 50 -12.928 -8.784 6.747 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.672 -9.371 7.615 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -14.565 -10.054 9.632 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -13.800 -10.866 8.280 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -11.165 -10.277 7.856 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.379 -9.103 9.315 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -14.276 -8.114 11.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -9.410 -7.394 11.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -13.456 -6.673 12.819 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -11.029 -6.333 13.135 1.00 0.00 H new ATOM 815 N ASP A 51 -14.025 -6.684 7.748 1.00 0.00 N ATOM 816 CA ASP A 51 -13.788 -5.419 8.356 1.00 0.00 C ATOM 817 C ASP A 51 -14.236 -4.324 7.441 1.00 0.00 C ATOM 818 O ASP A 51 -13.449 -3.692 6.745 1.00 0.00 O ATOM 819 CB ASP A 51 -12.299 -5.279 8.705 1.00 0.00 C ATOM 820 CG ASP A 51 -12.019 -4.157 9.713 1.00 0.00 C ATOM 821 OD1 ASP A 51 -12.965 -3.450 10.143 1.00 0.00 O ATOM 822 OD2 ASP A 51 -10.840 -3.984 10.122 1.00 0.00 O ATOM 0 H ASP A 51 -13.569 -6.819 6.845 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.361 -5.345 9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.937 -6.223 9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.735 -5.088 7.792 1.00 0.00 H new ATOM 827 N LYS A 52 -15.525 -4.183 7.347 1.00 0.00 N ATOM 828 CA LYS A 52 -16.107 -3.147 6.545 1.00 0.00 C ATOM 829 C LYS A 52 -16.978 -2.265 7.391 1.00 0.00 C ATOM 830 O LYS A 52 -17.917 -1.644 6.919 1.00 0.00 O ATOM 831 CB LYS A 52 -16.853 -3.699 5.316 1.00 0.00 C ATOM 832 CG LYS A 52 -15.912 -4.292 4.278 1.00 0.00 C ATOM 833 CD LYS A 52 -15.722 -5.777 4.355 1.00 0.00 C ATOM 834 CE LYS A 52 -16.856 -6.580 3.692 1.00 0.00 C ATOM 835 NZ LYS A 52 -18.176 -6.389 4.330 1.00 0.00 N ATOM 0 H LYS A 52 -16.201 -4.781 7.822 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.296 -2.539 6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.561 -4.463 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.434 -2.898 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.289 -4.042 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.938 -3.813 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.777 -6.039 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.644 -6.071 5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.926 -6.294 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.601 -7.639 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.833 -7.123 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.076 -6.458 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.550 -5.451 4.081 1.00 0.00 H new ATOM 849 N TYR A 53 -16.631 -2.187 8.645 1.00 0.00 N ATOM 850 CA TYR A 53 -17.315 -1.308 9.588 1.00 0.00 C ATOM 851 C TYR A 53 -16.753 0.090 9.429 1.00 0.00 C ATOM 852 O TYR A 53 -17.414 1.089 9.678 1.00 0.00 O ATOM 853 CB TYR A 53 -17.087 -1.787 11.027 1.00 0.00 C ATOM 854 CG TYR A 53 -17.714 -3.125 11.363 1.00 0.00 C ATOM 855 CD1 TYR A 53 -17.274 -4.304 10.766 1.00 0.00 C ATOM 856 CD2 TYR A 53 -18.746 -3.208 12.281 1.00 0.00 C ATOM 857 CE1 TYR A 53 -17.848 -5.512 11.074 1.00 0.00 C ATOM 858 CE2 TYR A 53 -19.320 -4.417 12.597 1.00 0.00 C ATOM 859 CZ TYR A 53 -18.869 -5.565 11.992 1.00 0.00 C ATOM 860 OH TYR A 53 -19.439 -6.776 12.315 1.00 0.00 O ATOM 0 H TYR A 53 -15.868 -2.726 9.055 1.00 0.00 H new ATOM 0 HA TYR A 53 -18.386 -1.317 9.385 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -16.014 -1.850 11.207 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -17.482 -1.036 11.711 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -16.468 -4.267 10.049 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -19.107 -2.308 12.757 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -17.499 -6.416 10.597 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -20.123 -4.464 13.318 1.00 0.00 H new ATOM 0 HH TYR A 53 -20.146 -6.638 12.980 1.00 0.00 H new ATOM 870 N GLN A 54 -15.528 0.130 8.974 1.00 0.00 N ATOM 871 CA GLN A 54 -14.792 1.321 8.783 1.00 0.00 C ATOM 872 C GLN A 54 -14.864 1.748 7.328 1.00 0.00 C ATOM 873 O GLN A 54 -14.254 2.726 6.922 1.00 0.00 O ATOM 874 CB GLN A 54 -13.379 1.004 9.115 1.00 0.00 C ATOM 875 CG GLN A 54 -13.223 0.369 10.473 1.00 0.00 C ATOM 876 CD GLN A 54 -13.586 1.283 11.610 1.00 0.00 C ATOM 877 OE1 GLN A 54 -14.739 1.371 12.027 1.00 0.00 O ATOM 878 NE2 GLN A 54 -12.605 1.918 12.160 1.00 0.00 N ATOM 0 H GLN A 54 -15.007 -0.710 8.720 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.189 2.124 9.404 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.975 0.333 8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.788 1.919 9.078 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.847 -0.523 10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.190 0.043 10.596 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.661 1.821 11.786 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.774 2.517 12.968 1.00 0.00 H new ATOM 887 N MET A 55 -15.584 0.979 6.539 1.00 0.00 N ATOM 888 CA MET A 55 -15.711 1.211 5.150 1.00 0.00 C ATOM 889 C MET A 55 -16.429 2.516 4.892 1.00 0.00 C ATOM 890 O MET A 55 -17.587 2.709 5.304 1.00 0.00 O ATOM 891 CB MET A 55 -16.415 0.027 4.515 1.00 0.00 C ATOM 892 CG MET A 55 -16.401 0.020 3.018 1.00 0.00 C ATOM 893 SD MET A 55 -17.593 1.138 2.217 1.00 0.00 S ATOM 894 CE MET A 55 -19.158 0.473 2.819 1.00 0.00 C ATOM 0 H MET A 55 -16.100 0.164 6.870 1.00 0.00 H new ATOM 0 HA MET A 55 -14.726 1.305 4.694 1.00 0.00 H new ATOM 0 HB2 MET A 55 -15.949 -0.891 4.873 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.450 0.012 4.855 1.00 0.00 H new ATOM 0 HG2 MET A 55 -15.399 0.284 2.680 1.00 0.00 H new ATOM 0 HG3 MET A 55 -16.596 -0.996 2.675 1.00 0.00 H new ATOM 0 HE1 MET A 55 -19.965 0.784 2.156 1.00 0.00 H new ATOM 0 HE2 MET A 55 -19.106 -0.616 2.841 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.350 0.848 3.824 1.00 0.00 H new ATOM 904 N GLY A 56 -15.711 3.416 4.267 1.00 0.00 N ATOM 905 CA GLY A 56 -16.219 4.716 3.953 1.00 0.00 C ATOM 906 C GLY A 56 -16.093 5.659 5.119 1.00 0.00 C ATOM 907 O GLY A 56 -16.525 6.804 5.039 1.00 0.00 O ATOM 0 H GLY A 56 -14.750 3.260 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.679 5.121 3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.266 4.637 3.660 1.00 0.00 H new ATOM 911 N ASP A 57 -15.483 5.194 6.192 1.00 0.00 N ATOM 912 CA ASP A 57 -15.379 6.002 7.401 1.00 0.00 C ATOM 913 C ASP A 57 -14.221 6.954 7.257 1.00 0.00 C ATOM 914 O ASP A 57 -13.211 6.636 6.625 1.00 0.00 O ATOM 915 CB ASP A 57 -15.161 5.146 8.656 1.00 0.00 C ATOM 916 CG ASP A 57 -15.610 5.834 9.916 1.00 0.00 C ATOM 917 OD1 ASP A 57 -15.116 6.931 10.219 1.00 0.00 O ATOM 918 OD2 ASP A 57 -16.444 5.261 10.647 1.00 0.00 O ATOM 0 H ASP A 57 -15.054 4.271 6.256 1.00 0.00 H new ATOM 0 HA ASP A 57 -16.320 6.540 7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.703 4.206 8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.103 4.896 8.741 1.00 0.00 H new ATOM 923 N GLN A 58 -14.354 8.105 7.837 1.00 0.00 N ATOM 924 CA GLN A 58 -13.333 9.110 7.752 1.00 0.00 C ATOM 925 C GLN A 58 -12.282 8.884 8.794 1.00 0.00 C ATOM 926 O GLN A 58 -11.157 9.346 8.673 1.00 0.00 O ATOM 927 CB GLN A 58 -13.889 10.495 7.879 1.00 0.00 C ATOM 928 CG GLN A 58 -14.573 10.795 9.206 1.00 0.00 C ATOM 929 CD GLN A 58 -14.905 12.258 9.356 1.00 0.00 C ATOM 930 OE1 GLN A 58 -14.094 13.039 9.865 1.00 0.00 O ATOM 931 NE2 GLN A 58 -16.064 12.649 8.919 1.00 0.00 N ATOM 0 H GLN A 58 -15.171 8.378 8.383 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.885 9.023 6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.079 11.210 7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.605 10.658 7.073 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.487 10.207 9.283 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.925 10.485 10.026 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.707 11.974 8.505 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.331 13.631 8.990 1.00 0.00 H new ATOM 940 N ASN A 59 -12.662 8.175 9.828 1.00 0.00 N ATOM 941 CA ASN A 59 -11.786 7.869 10.945 1.00 0.00 C ATOM 942 C ASN A 59 -10.595 7.084 10.487 1.00 0.00 C ATOM 943 O ASN A 59 -9.487 7.250 10.972 1.00 0.00 O ATOM 944 CB ASN A 59 -12.550 7.070 12.006 1.00 0.00 C ATOM 945 CG ASN A 59 -13.408 7.922 12.922 1.00 0.00 C ATOM 946 OD1 ASN A 59 -12.956 8.380 13.972 1.00 0.00 O ATOM 947 ND2 ASN A 59 -14.647 8.113 12.561 1.00 0.00 N ATOM 0 H ASN A 59 -13.600 7.786 9.924 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.440 8.809 11.376 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.185 6.338 11.507 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.835 6.512 12.610 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.273 8.656 13.155 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.989 7.719 11.684 1.00 0.00 H new ATOM 954 N VAL A 60 -10.822 6.306 9.487 1.00 0.00 N ATOM 955 CA VAL A 60 -9.847 5.361 9.002 1.00 0.00 C ATOM 956 C VAL A 60 -9.238 5.802 7.729 1.00 0.00 C ATOM 957 O VAL A 60 -8.531 5.032 7.091 1.00 0.00 O ATOM 958 CB VAL A 60 -10.493 4.010 8.778 1.00 0.00 C ATOM 959 CG1 VAL A 60 -10.936 3.501 10.049 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.707 4.178 7.995 1.00 0.00 C ATOM 0 H VAL A 60 -11.700 6.299 8.967 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.068 5.292 9.761 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.776 3.355 8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.405 2.527 9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.081 3.399 10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.658 4.191 10.486 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.173 3.206 7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.399 4.827 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.460 4.627 7.033 1.00 0.00 H new ATOM 970 N TYR A 61 -9.534 7.013 7.348 1.00 0.00 N ATOM 971 CA TYR A 61 -8.984 7.559 6.124 1.00 0.00 C ATOM 972 C TYR A 61 -7.445 7.575 6.218 1.00 0.00 C ATOM 973 O TYR A 61 -6.868 8.138 7.166 1.00 0.00 O ATOM 974 CB TYR A 61 -9.563 8.979 5.763 1.00 0.00 C ATOM 975 CG TYR A 61 -8.693 10.173 6.153 1.00 0.00 C ATOM 976 CD1 TYR A 61 -8.766 10.738 7.411 1.00 0.00 C ATOM 977 CD2 TYR A 61 -7.780 10.710 5.247 1.00 0.00 C ATOM 978 CE1 TYR A 61 -7.958 11.795 7.765 1.00 0.00 C ATOM 979 CE2 TYR A 61 -6.971 11.770 5.594 1.00 0.00 C ATOM 980 CZ TYR A 61 -7.062 12.308 6.853 1.00 0.00 C ATOM 981 OH TYR A 61 -6.240 13.358 7.211 1.00 0.00 O ATOM 0 H TYR A 61 -10.150 7.644 7.860 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.288 6.910 5.303 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.737 9.017 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.534 9.088 6.247 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.469 10.344 8.130 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.705 10.288 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.026 12.221 8.755 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.270 12.175 4.879 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.668 13.599 6.453 1.00 0.00 H new ATOM 991 N PRO A 62 -6.773 6.867 5.331 1.00 0.00 N ATOM 992 CA PRO A 62 -5.361 6.903 5.245 1.00 0.00 C ATOM 993 C PRO A 62 -4.958 8.022 4.330 1.00 0.00 C ATOM 994 O PRO A 62 -5.304 8.028 3.152 1.00 0.00 O ATOM 995 CB PRO A 62 -4.979 5.549 4.640 1.00 0.00 C ATOM 996 CG PRO A 62 -6.256 4.927 4.200 1.00 0.00 C ATOM 997 CD PRO A 62 -7.330 5.959 4.355 1.00 0.00 C ATOM 0 HA PRO A 62 -4.873 7.070 6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.296 5.675 3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.471 4.922 5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.186 4.598 3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.481 4.045 4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.544 6.462 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.265 5.519 4.701 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.341 8.996 4.903 1.00 0.00 N ATOM 1006 CA GLY A 63 -3.819 10.133 4.154 1.00 0.00 C ATOM 1007 C GLY A 63 -2.636 9.752 3.254 1.00 0.00 C ATOM 1008 O GLY A 63 -2.649 8.701 2.628 1.00 0.00 O ATOM 0 H GLY A 63 -4.173 9.046 5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.615 10.557 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.505 10.910 4.851 1.00 0.00 H new ATOM 1012 N PRO A 64 -1.599 10.583 3.164 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.433 10.285 2.327 1.00 0.00 C ATOM 1014 C PRO A 64 0.326 9.044 2.817 1.00 0.00 C ATOM 1015 O PRO A 64 0.522 8.857 4.035 1.00 0.00 O ATOM 1016 CB PRO A 64 0.435 11.543 2.456 1.00 0.00 C ATOM 1017 CG PRO A 64 -0.492 12.592 2.955 1.00 0.00 C ATOM 1018 CD PRO A 64 -1.469 11.880 3.835 1.00 0.00 C ATOM 0 HA PRO A 64 -0.713 10.058 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.262 11.384 3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.871 11.823 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.047 13.360 3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.999 13.091 2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.098 11.776 4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.422 12.405 3.894 1.00 0.00 H new ATOM 1026 N ILE A 65 0.731 8.205 1.874 1.00 0.00 N ATOM 1027 CA ILE A 65 1.451 6.955 2.158 1.00 0.00 C ATOM 1028 C ILE A 65 2.755 7.249 2.884 1.00 0.00 C ATOM 1029 O ILE A 65 3.599 8.000 2.368 1.00 0.00 O ATOM 1030 CB ILE A 65 1.761 6.206 0.857 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.460 5.962 0.095 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.456 4.892 1.187 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.633 5.504 -1.323 1.00 0.00 C ATOM 0 H ILE A 65 0.572 8.367 0.880 1.00 0.00 H new ATOM 0 HA ILE A 65 0.814 6.335 2.789 1.00 0.00 H new ATOM 0 HB ILE A 65 2.425 6.799 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.124 5.216 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.122 6.884 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.678 4.356 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.384 5.095 1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.804 4.282 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.346 5.358 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.187 6.257 -1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.184 4.564 -1.337 1.00 0.00 H new ATOM 1045 N ASP A 66 2.938 6.646 4.042 1.00 0.00 N ATOM 1046 CA ASP A 66 4.072 6.976 4.879 1.00 0.00 C ATOM 1047 C ASP A 66 5.013 5.824 5.078 1.00 0.00 C ATOM 1048 O ASP A 66 4.779 4.949 5.889 1.00 0.00 O ATOM 1049 CB ASP A 66 3.615 7.521 6.218 1.00 0.00 C ATOM 1050 CG ASP A 66 4.786 7.857 7.113 1.00 0.00 C ATOM 1051 OD1 ASP A 66 5.694 8.566 6.671 1.00 0.00 O ATOM 1052 OD2 ASP A 66 4.822 7.403 8.277 1.00 0.00 O ATOM 0 H ASP A 66 2.320 5.929 4.422 1.00 0.00 H new ATOM 0 HA ASP A 66 4.628 7.749 4.348 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.009 8.413 6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.978 6.787 6.712 1.00 0.00 H new ATOM 1057 N ASN A 67 6.118 5.882 4.405 1.00 0.00 N ATOM 1058 CA ASN A 67 7.079 4.806 4.446 1.00 0.00 C ATOM 1059 C ASN A 67 8.160 5.062 5.482 1.00 0.00 C ATOM 1060 O ASN A 67 9.142 4.346 5.525 1.00 0.00 O ATOM 1061 CB ASN A 67 7.719 4.587 3.061 1.00 0.00 C ATOM 1062 CG ASN A 67 6.718 4.181 1.988 1.00 0.00 C ATOM 1063 OD1 ASN A 67 6.426 3.012 1.806 1.00 0.00 O ATOM 1064 ND2 ASN A 67 6.210 5.144 1.251 1.00 0.00 N ATOM 0 H ASN A 67 6.386 6.668 3.813 1.00 0.00 H new ATOM 0 HA ASN A 67 6.540 3.903 4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.220 5.504 2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.486 3.817 3.141 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.553 4.921 0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.473 6.114 1.427 1.00 0.00 H new ATOM 1071 N SER A 68 7.954 6.052 6.355 1.00 0.00 N ATOM 1072 CA SER A 68 8.951 6.423 7.378 1.00 0.00 C ATOM 1073 C SER A 68 9.344 5.247 8.287 1.00 0.00 C ATOM 1074 O SER A 68 10.510 5.121 8.680 1.00 0.00 O ATOM 1075 CB SER A 68 8.449 7.592 8.208 1.00 0.00 C ATOM 1076 OG SER A 68 8.193 8.711 7.376 1.00 0.00 O ATOM 0 H SER A 68 7.104 6.616 6.378 1.00 0.00 H new ATOM 0 HA SER A 68 9.853 6.720 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.539 7.307 8.737 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.189 7.854 8.964 1.00 0.00 H new ATOM 0 HG SER A 68 7.226 8.852 7.306 1.00 0.00 H new ATOM 1082 N GLY A 69 8.386 4.373 8.574 1.00 0.00 N ATOM 1083 CA GLY A 69 8.644 3.211 9.399 1.00 0.00 C ATOM 1084 C GLY A 69 9.473 2.160 8.677 1.00 0.00 C ATOM 1085 O GLY A 69 10.021 1.254 9.298 1.00 0.00 O ATOM 0 H GLY A 69 7.424 4.452 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.164 3.521 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.696 2.772 9.710 1.00 0.00 H new ATOM 1089 N LEU A 70 9.554 2.275 7.367 1.00 0.00 N ATOM 1090 CA LEU A 70 10.335 1.355 6.564 1.00 0.00 C ATOM 1091 C LEU A 70 11.725 1.936 6.372 1.00 0.00 C ATOM 1092 O LEU A 70 12.718 1.211 6.257 1.00 0.00 O ATOM 1093 CB LEU A 70 9.698 1.196 5.185 1.00 0.00 C ATOM 1094 CG LEU A 70 8.214 0.854 5.135 1.00 0.00 C ATOM 1095 CD1 LEU A 70 7.771 0.724 3.702 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.905 -0.413 5.912 1.00 0.00 C ATOM 0 H LEU A 70 9.083 3.004 6.831 1.00 0.00 H new ATOM 0 HA LEU A 70 10.378 0.389 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.849 2.125 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.242 0.417 4.650 1.00 0.00 H new ATOM 0 HG LEU A 70 7.660 1.664 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.709 0.479 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.942 1.666 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.341 -0.068 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.837 -0.625 5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.464 -1.246 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.192 -0.279 6.955 1.00 0.00 H new ATOM 1108 N LEU A 71 11.770 3.246 6.336 1.00 0.00 N ATOM 1109 CA LEU A 71 12.975 3.984 6.096 1.00 0.00 C ATOM 1110 C LEU A 71 13.848 4.003 7.339 1.00 0.00 C ATOM 1111 O LEU A 71 13.349 4.024 8.472 1.00 0.00 O ATOM 1112 CB LEU A 71 12.630 5.410 5.644 1.00 0.00 C ATOM 1113 CG LEU A 71 11.693 5.519 4.416 1.00 0.00 C ATOM 1114 CD1 LEU A 71 11.354 6.963 4.100 1.00 0.00 C ATOM 1115 CD2 LEU A 71 12.299 4.832 3.196 1.00 0.00 C ATOM 0 H LEU A 71 10.950 3.836 6.476 1.00 0.00 H new ATOM 0 HA LEU A 71 13.539 3.494 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.165 5.933 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.559 5.934 5.417 1.00 0.00 H new ATOM 0 HG LEU A 71 10.766 5.006 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.695 7.001 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.853 7.415 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.270 7.513 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.618 4.925 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.251 5.302 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.462 3.777 3.416 1.00 0.00 H new ATOM 1127 N LYS A 72 15.130 3.991 7.115 1.00 0.00 N ATOM 1128 CA LYS A 72 16.120 3.960 8.149 1.00 0.00 C ATOM 1129 C LYS A 72 16.234 5.222 8.927 1.00 0.00 C ATOM 1130 O LYS A 72 15.660 6.263 8.584 1.00 0.00 O ATOM 1131 CB LYS A 72 17.490 3.565 7.621 1.00 0.00 C ATOM 1132 CG LYS A 72 17.740 2.095 7.676 1.00 0.00 C ATOM 1133 CD LYS A 72 19.144 1.746 7.270 1.00 0.00 C ATOM 1134 CE LYS A 72 19.452 0.338 7.712 1.00 0.00 C ATOM 1135 NZ LYS A 72 20.850 -0.055 7.433 1.00 0.00 N ATOM 0 H LYS A 72 15.527 4.003 6.175 1.00 0.00 H new ATOM 0 HA LYS A 72 15.760 3.193 8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.587 3.905 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.257 4.079 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.555 1.734 8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.035 1.583 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.255 1.833 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.850 2.444 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.260 0.247 8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.777 -0.353 7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.007 -1.031 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.030 0.004 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.497 0.585 7.936 1.00 0.00 H new ATOM 1149 N ASP A 73 17.010 5.122 9.962 1.00 0.00 N ATOM 1150 CA ASP A 73 17.244 6.213 10.861 1.00 0.00 C ATOM 1151 C ASP A 73 18.180 7.199 10.208 1.00 0.00 C ATOM 1152 O ASP A 73 19.380 6.945 10.080 1.00 0.00 O ATOM 1153 CB ASP A 73 17.826 5.714 12.201 1.00 0.00 C ATOM 1154 CG ASP A 73 16.899 4.765 12.944 1.00 0.00 C ATOM 1155 OD1 ASP A 73 16.006 5.235 13.669 1.00 0.00 O ATOM 1156 OD2 ASP A 73 17.050 3.526 12.810 1.00 0.00 O ATOM 0 H ASP A 73 17.507 4.267 10.211 1.00 0.00 H new ATOM 0 HA ASP A 73 16.295 6.703 11.080 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.774 5.211 12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 73 18.042 6.572 12.837 1.00 0.00 H new ATOM 1161 N GLY A 74 17.631 8.266 9.701 1.00 0.00 N ATOM 1162 CA GLY A 74 18.446 9.286 9.114 1.00 0.00 C ATOM 1163 C GLY A 74 18.237 9.433 7.631 1.00 0.00 C ATOM 1164 O GLY A 74 18.252 10.551 7.110 1.00 0.00 O ATOM 0 H GLY A 74 16.628 8.450 9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.232 10.238 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.495 9.059 9.306 1.00 0.00 H new ATOM 1168 N ASP A 75 18.015 8.335 6.945 1.00 0.00 N ATOM 1169 CA ASP A 75 17.863 8.382 5.496 1.00 0.00 C ATOM 1170 C ASP A 75 16.513 7.896 5.093 1.00 0.00 C ATOM 1171 O ASP A 75 16.089 6.810 5.485 1.00 0.00 O ATOM 1172 CB ASP A 75 18.910 7.543 4.751 1.00 0.00 C ATOM 1173 CG ASP A 75 20.335 7.979 4.964 1.00 0.00 C ATOM 1174 OD1 ASP A 75 20.935 7.614 5.998 1.00 0.00 O ATOM 1175 OD2 ASP A 75 20.903 8.654 4.075 1.00 0.00 O ATOM 0 H ASP A 75 17.935 7.404 7.355 1.00 0.00 H new ATOM 0 HA ASP A 75 18.001 9.428 5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.812 6.504 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.690 7.577 3.684 1.00 0.00 H new ATOM 1180 N ALA A 76 15.870 8.662 4.262 1.00 0.00 N ATOM 1181 CA ALA A 76 14.551 8.340 3.750 1.00 0.00 C ATOM 1182 C ALA A 76 14.672 7.517 2.492 1.00 0.00 C ATOM 1183 O ALA A 76 13.699 7.213 1.825 1.00 0.00 O ATOM 1184 CB ALA A 76 13.834 9.601 3.393 1.00 0.00 C ATOM 0 H ALA A 76 16.244 9.543 3.910 1.00 0.00 H new ATOM 0 HA ALA A 76 14.009 7.786 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.843 9.360 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.736 10.228 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.399 10.137 2.630 1.00 0.00 H new ATOM 1190 N GLN A 77 15.870 7.202 2.149 1.00 0.00 N ATOM 1191 CA GLN A 77 16.139 6.522 0.913 1.00 0.00 C ATOM 1192 C GLN A 77 16.732 5.187 1.218 1.00 0.00 C ATOM 1193 O GLN A 77 17.147 4.437 0.334 1.00 0.00 O ATOM 1194 CB GLN A 77 17.130 7.358 0.147 1.00 0.00 C ATOM 1195 CG GLN A 77 16.821 8.847 0.218 1.00 0.00 C ATOM 1196 CD GLN A 77 15.473 9.256 -0.369 1.00 0.00 C ATOM 1197 OE1 GLN A 77 14.942 8.459 -1.250 1.00 0.00 O flip ATOM 1198 NE2 GLN A 77 14.886 10.264 0.035 1.00 0.00 N flip ATOM 0 H GLN A 77 16.697 7.404 2.710 1.00 0.00 H new ATOM 0 HA GLN A 77 15.229 6.381 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.131 7.180 0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.137 7.042 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.856 9.160 1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.608 9.391 -0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.329 10.869 0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.958 10.492 -0.323 1.00 0.00 H new ATOM 1207 N SER A 78 16.762 4.903 2.467 1.00 0.00 N ATOM 1208 CA SER A 78 17.357 3.705 2.958 1.00 0.00 C ATOM 1209 C SER A 78 16.343 2.919 3.745 1.00 0.00 C ATOM 1210 O SER A 78 15.707 3.456 4.612 1.00 0.00 O ATOM 1211 CB SER A 78 18.542 4.084 3.824 1.00 0.00 C ATOM 1212 OG SER A 78 19.450 4.883 3.082 1.00 0.00 O ATOM 0 H SER A 78 16.369 5.502 3.193 1.00 0.00 H new ATOM 0 HA SER A 78 17.698 3.079 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.200 4.629 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.044 3.185 4.181 1.00 0.00 H new ATOM 0 HG SER A 78 20.212 5.125 3.649 1.00 0.00 H new ATOM 1218 N LEU A 79 16.145 1.682 3.374 1.00 0.00 N ATOM 1219 CA LEU A 79 15.248 0.795 4.044 1.00 0.00 C ATOM 1220 C LEU A 79 15.939 0.139 5.213 1.00 0.00 C ATOM 1221 O LEU A 79 17.171 -0.027 5.202 1.00 0.00 O ATOM 1222 CB LEU A 79 14.801 -0.284 3.066 1.00 0.00 C ATOM 1223 CG LEU A 79 13.960 0.152 1.865 1.00 0.00 C ATOM 1224 CD1 LEU A 79 12.662 0.802 2.306 1.00 0.00 C ATOM 1225 CD2 LEU A 79 14.722 1.043 0.882 1.00 0.00 C ATOM 0 H LEU A 79 16.618 1.258 2.576 1.00 0.00 H new ATOM 0 HA LEU A 79 14.390 1.360 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.692 -0.784 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.231 -1.027 3.623 1.00 0.00 H new ATOM 0 HG LEU A 79 13.718 -0.761 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.088 1.100 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.082 0.092 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.883 1.681 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.067 1.315 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.056 1.946 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 79 15.587 0.503 0.497 1.00 0.00 H new ATOM 1237 N LYS A 80 15.172 -0.203 6.218 1.00 0.00 N ATOM 1238 CA LYS A 80 15.694 -0.900 7.374 1.00 0.00 C ATOM 1239 C LYS A 80 15.927 -2.385 7.073 1.00 0.00 C ATOM 1240 O LYS A 80 15.457 -2.917 6.058 1.00 0.00 O ATOM 1241 CB LYS A 80 14.807 -0.718 8.611 1.00 0.00 C ATOM 1242 CG LYS A 80 14.743 0.688 9.151 1.00 0.00 C ATOM 1243 CD LYS A 80 13.935 0.748 10.433 1.00 0.00 C ATOM 1244 CE LYS A 80 13.898 2.155 10.981 1.00 0.00 C ATOM 1245 NZ LYS A 80 13.163 2.246 12.264 1.00 0.00 N ATOM 0 H LYS A 80 14.172 -0.008 6.261 1.00 0.00 H new ATOM 0 HA LYS A 80 16.659 -0.449 7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.796 -1.042 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.170 -1.377 9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.752 1.055 9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.297 1.346 8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.919 0.400 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.370 0.076 11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.918 2.512 11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.429 2.814 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.167 3.231 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.182 1.931 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.624 1.639 12.972 1.00 0.00 H new ATOM 1259 N GLU A 81 16.616 -3.036 7.969 1.00 0.00 N ATOM 1260 CA GLU A 81 17.070 -4.407 7.785 1.00 0.00 C ATOM 1261 C GLU A 81 15.972 -5.466 7.910 1.00 0.00 C ATOM 1262 O GLU A 81 15.855 -6.349 7.058 1.00 0.00 O ATOM 1263 CB GLU A 81 18.165 -4.711 8.797 1.00 0.00 C ATOM 1264 CG GLU A 81 19.406 -3.863 8.652 1.00 0.00 C ATOM 1265 CD GLU A 81 20.138 -4.112 7.361 1.00 0.00 C ATOM 1266 OE1 GLU A 81 20.986 -5.024 7.312 1.00 0.00 O ATOM 1267 OE2 GLU A 81 19.907 -3.393 6.381 1.00 0.00 O ATOM 0 H GLU A 81 16.888 -2.632 8.865 1.00 0.00 H new ATOM 0 HA GLU A 81 17.434 -4.466 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.762 -4.574 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.445 -5.760 8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.129 -2.810 8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 81 20.076 -4.063 9.488 1.00 0.00 H new ATOM 1274 N HIS A 82 15.140 -5.361 8.929 1.00 0.00 N ATOM 1275 CA HIS A 82 14.227 -6.473 9.275 1.00 0.00 C ATOM 1276 C HIS A 82 12.974 -6.518 8.424 1.00 0.00 C ATOM 1277 O HIS A 82 12.141 -7.405 8.599 1.00 0.00 O ATOM 1278 CB HIS A 82 13.849 -6.472 10.768 1.00 0.00 C ATOM 1279 CG HIS A 82 15.009 -6.647 11.705 1.00 0.00 C ATOM 1280 ND1 HIS A 82 15.153 -7.733 12.532 1.00 0.00 N ATOM 1281 CD2 HIS A 82 16.063 -5.844 11.967 1.00 0.00 C ATOM 1282 CE1 HIS A 82 16.236 -7.591 13.259 1.00 0.00 C ATOM 1283 NE2 HIS A 82 16.807 -6.455 12.934 1.00 0.00 N ATOM 0 H HIS A 82 15.065 -4.541 9.531 1.00 0.00 H new ATOM 0 HA HIS A 82 14.797 -7.377 9.057 1.00 0.00 H new ATOM 0 HB2 HIS A 82 13.348 -5.533 11.002 1.00 0.00 H new ATOM 0 HB3 HIS A 82 13.129 -7.271 10.948 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.277 -4.895 11.498 1.00 0.00 H new ATOM 0 HE1 HIS A 82 16.596 -8.290 13.999 1.00 0.00 H new ATOM 0 HE2 HIS A 82 17.668 -6.088 13.339 1.00 0.00 H new ATOM 1292 N LEU A 83 12.853 -5.591 7.513 1.00 0.00 N ATOM 1293 CA LEU A 83 11.714 -5.492 6.629 1.00 0.00 C ATOM 1294 C LEU A 83 11.468 -6.755 5.801 1.00 0.00 C ATOM 1295 O LEU A 83 12.384 -7.330 5.210 1.00 0.00 O ATOM 1296 CB LEU A 83 11.846 -4.284 5.712 1.00 0.00 C ATOM 1297 CG LEU A 83 11.499 -2.908 6.283 1.00 0.00 C ATOM 1298 CD1 LEU A 83 12.280 -2.593 7.514 1.00 0.00 C ATOM 1299 CD2 LEU A 83 11.729 -1.842 5.241 1.00 0.00 C ATOM 0 H LEU A 83 13.555 -4.867 7.358 1.00 0.00 H new ATOM 0 HA LEU A 83 10.845 -5.370 7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.875 -4.247 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.212 -4.454 4.842 1.00 0.00 H new ATOM 0 HG LEU A 83 10.445 -2.929 6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.998 -1.606 7.881 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.069 -3.339 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.345 -2.603 7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.479 -0.866 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.776 -1.850 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.098 -2.039 4.374 1.00 0.00 H new ATOM 1311 N ILE A 84 10.225 -7.150 5.793 1.00 0.00 N ATOM 1312 CA ILE A 84 9.688 -8.281 5.065 1.00 0.00 C ATOM 1313 C ILE A 84 8.485 -7.734 4.327 1.00 0.00 C ATOM 1314 O ILE A 84 8.175 -6.573 4.524 1.00 0.00 O ATOM 1315 CB ILE A 84 9.277 -9.423 6.075 1.00 0.00 C ATOM 1316 CG1 ILE A 84 10.505 -9.892 6.842 1.00 0.00 C ATOM 1317 CG2 ILE A 84 8.592 -10.618 5.402 1.00 0.00 C ATOM 1318 CD1 ILE A 84 10.236 -11.029 7.775 1.00 0.00 C ATOM 0 H ILE A 84 9.507 -6.662 6.329 1.00 0.00 H new ATOM 0 HA ILE A 84 10.408 -8.722 4.376 1.00 0.00 H new ATOM 0 HB ILE A 84 8.543 -8.992 6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.274 -10.193 6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.908 -9.054 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.338 -11.363 6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.683 -10.282 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.267 -11.059 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.158 -11.307 8.285 1.00 0.00 H new ATOM 0 HD12 ILE A 84 9.491 -10.727 8.511 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.862 -11.883 7.210 1.00 0.00 H new ATOM 1330 N ASP A 85 7.856 -8.541 3.481 1.00 0.00 N ATOM 1331 CA ASP A 85 6.644 -8.211 2.668 1.00 0.00 C ATOM 1332 C ASP A 85 5.449 -7.746 3.615 1.00 0.00 C ATOM 1333 O ASP A 85 5.729 -7.204 4.637 1.00 0.00 O ATOM 1334 CB ASP A 85 6.369 -9.476 1.840 1.00 0.00 C ATOM 1335 CG ASP A 85 5.197 -9.456 0.872 1.00 0.00 C ATOM 1336 OD1 ASP A 85 4.541 -8.434 0.709 1.00 0.00 O ATOM 1337 OD2 ASP A 85 4.918 -10.507 0.259 1.00 0.00 O ATOM 0 H ASP A 85 8.177 -9.496 3.320 1.00 0.00 H new ATOM 0 HA ASP A 85 6.777 -7.365 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.269 -9.703 1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.214 -10.302 2.534 1.00 0.00 H new ATOM 1342 N GLU A 86 4.135 -7.929 3.259 1.00 0.00 N ATOM 1343 CA GLU A 86 2.924 -7.365 4.036 1.00 0.00 C ATOM 1344 C GLU A 86 2.985 -7.381 5.582 1.00 0.00 C ATOM 1345 O GLU A 86 2.216 -6.688 6.267 1.00 0.00 O ATOM 1346 CB GLU A 86 1.583 -7.837 3.469 1.00 0.00 C ATOM 1347 CG GLU A 86 1.199 -9.282 3.700 1.00 0.00 C ATOM 1348 CD GLU A 86 0.441 -9.483 4.995 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -0.798 -9.266 5.019 1.00 0.00 O ATOM 1350 OE2 GLU A 86 1.044 -9.878 5.993 1.00 0.00 O ATOM 0 H GLU A 86 3.863 -8.465 2.435 1.00 0.00 H new ATOM 0 HA GLU A 86 3.007 -6.296 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.799 -7.209 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.590 -7.658 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.587 -9.629 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.099 -9.896 3.711 1.00 0.00 H new ATOM 1357 N LEU A 87 3.857 -8.168 6.085 1.00 0.00 N ATOM 1358 CA LEU A 87 4.215 -8.212 7.484 1.00 0.00 C ATOM 1359 C LEU A 87 4.782 -6.842 7.932 1.00 0.00 C ATOM 1360 O LEU A 87 4.410 -6.307 8.977 1.00 0.00 O ATOM 1361 CB LEU A 87 5.309 -9.256 7.654 1.00 0.00 C ATOM 1362 CG LEU A 87 4.996 -10.633 7.119 1.00 0.00 C ATOM 1363 CD1 LEU A 87 6.066 -11.593 7.537 1.00 0.00 C ATOM 1364 CD2 LEU A 87 3.632 -11.099 7.570 1.00 0.00 C ATOM 0 H LEU A 87 4.377 -8.840 5.520 1.00 0.00 H new ATOM 0 HA LEU A 87 3.335 -8.453 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.211 -8.892 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.539 -9.344 8.716 1.00 0.00 H new ATOM 0 HG LEU A 87 4.974 -10.589 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.836 -12.585 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.026 -11.262 7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.115 -11.631 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.436 -12.093 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.601 -11.135 8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.873 -10.406 7.208 1.00 0.00 H new ATOM 1376 N ASP A 88 5.684 -6.290 7.126 1.00 0.00 N ATOM 1377 CA ASP A 88 6.336 -5.000 7.442 1.00 0.00 C ATOM 1378 C ASP A 88 5.928 -3.969 6.423 1.00 0.00 C ATOM 1379 O ASP A 88 5.521 -2.847 6.765 1.00 0.00 O ATOM 1380 CB ASP A 88 7.864 -5.087 7.383 1.00 0.00 C ATOM 1381 CG ASP A 88 8.538 -4.302 8.495 1.00 0.00 C ATOM 1382 OD1 ASP A 88 8.330 -3.071 8.619 1.00 0.00 O ATOM 1383 OD2 ASP A 88 9.254 -4.925 9.312 1.00 0.00 O ATOM 0 H ASP A 88 5.988 -6.707 6.246 1.00 0.00 H new ATOM 0 HA ASP A 88 6.025 -4.735 8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.167 -6.132 7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.208 -4.713 6.419 1.00 0.00 H new ATOM 1388 N TYR A 89 5.973 -4.361 5.178 1.00 0.00 N ATOM 1389 CA TYR A 89 5.685 -3.442 4.066 1.00 0.00 C ATOM 1390 C TYR A 89 4.858 -4.155 3.065 1.00 0.00 C ATOM 1391 O TYR A 89 4.359 -5.134 3.366 1.00 0.00 O ATOM 1392 CB TYR A 89 6.981 -2.887 3.402 1.00 0.00 C ATOM 1393 CG TYR A 89 7.968 -3.921 2.828 1.00 0.00 C ATOM 1394 CD1 TYR A 89 7.607 -4.808 1.810 1.00 0.00 C ATOM 1395 CD2 TYR A 89 9.264 -3.986 3.295 1.00 0.00 C ATOM 1396 CE1 TYR A 89 8.494 -5.718 1.303 1.00 0.00 C ATOM 1397 CE2 TYR A 89 10.169 -4.897 2.768 1.00 0.00 C ATOM 1398 CZ TYR A 89 9.768 -5.761 1.780 1.00 0.00 C ATOM 1399 OH TYR A 89 10.656 -6.664 1.263 1.00 0.00 O ATOM 0 H TYR A 89 6.206 -5.311 4.889 1.00 0.00 H new ATOM 0 HA TYR A 89 5.147 -2.581 4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.688 -2.214 2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.511 -2.287 4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.603 -4.774 1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.580 -3.318 4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.184 -6.401 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.185 -4.926 3.134 1.00 0.00 H new ATOM 0 HH TYR A 89 11.522 -6.564 1.711 1.00 0.00 H new ATOM 1409 N ILE A 90 4.658 -3.609 1.911 1.00 0.00 N ATOM 1410 CA ILE A 90 3.994 -4.277 0.839 1.00 0.00 C ATOM 1411 C ILE A 90 4.593 -3.740 -0.414 1.00 0.00 C ATOM 1412 O ILE A 90 5.257 -2.719 -0.374 1.00 0.00 O ATOM 1413 CB ILE A 90 2.502 -3.932 0.777 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.890 -3.947 2.128 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.776 -4.919 -0.093 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.471 -3.716 2.077 1.00 0.00 C ATOM 0 H ILE A 90 4.959 -2.662 1.681 1.00 0.00 H new ATOM 0 HA ILE A 90 4.102 -5.353 0.973 1.00 0.00 H new ATOM 0 HB ILE A 90 2.415 -2.929 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.084 -4.908 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.360 -3.184 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.717 -4.663 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.191 -4.890 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.893 -5.922 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.063 -3.735 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.277 -2.743 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.003 -4.495 1.479 1.00 0.00 H new ATOM 1428 N LEU A 91 4.405 -4.420 -1.489 1.00 0.00 N ATOM 1429 CA LEU A 91 4.793 -3.941 -2.750 1.00 0.00 C ATOM 1430 C LEU A 91 3.598 -3.843 -3.630 1.00 0.00 C ATOM 1431 O LEU A 91 2.650 -4.622 -3.510 1.00 0.00 O ATOM 1432 CB LEU A 91 5.776 -4.864 -3.431 1.00 0.00 C ATOM 1433 CG LEU A 91 7.102 -5.100 -2.781 1.00 0.00 C ATOM 1434 CD1 LEU A 91 7.835 -3.859 -2.493 1.00 0.00 C ATOM 1435 CD2 LEU A 91 7.009 -5.981 -1.615 1.00 0.00 C ATOM 0 H LEU A 91 3.968 -5.342 -1.508 1.00 0.00 H new ATOM 0 HA LEU A 91 5.263 -2.970 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.291 -5.832 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.962 -4.471 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 91 7.701 -5.631 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.788 -4.100 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.016 -3.319 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.245 -3.236 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.000 -6.118 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.348 -5.534 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.610 -6.948 -1.921 1.00 0.00 H new ATOM 1447 N LEU A 92 3.639 -2.894 -4.475 1.00 0.00 N ATOM 1448 CA LEU A 92 2.666 -2.744 -5.520 1.00 0.00 C ATOM 1449 C LEU A 92 3.369 -2.697 -6.818 1.00 0.00 C ATOM 1450 O LEU A 92 4.542 -2.317 -6.877 1.00 0.00 O ATOM 1451 CB LEU A 92 1.842 -1.444 -5.469 1.00 0.00 C ATOM 1452 CG LEU A 92 0.836 -1.235 -4.377 1.00 0.00 C ATOM 1453 CD1 LEU A 92 0.049 -2.452 -4.094 1.00 0.00 C ATOM 1454 CD2 LEU A 92 1.463 -0.720 -3.187 1.00 0.00 C ATOM 0 H LEU A 92 4.360 -2.173 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 92 1.989 -3.588 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.548 -0.615 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.312 -1.359 -6.418 1.00 0.00 H new ATOM 0 HG LEU A 92 0.128 -0.487 -4.734 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.664 -2.247 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.489 -2.755 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.719 -3.254 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.710 -0.578 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.215 -1.427 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.938 0.235 -3.410 1.00 0.00 H new ATOM 1466 N PRO A 93 2.689 -3.097 -7.886 1.00 0.00 N ATOM 1467 CA PRO A 93 3.159 -2.844 -9.215 1.00 0.00 C ATOM 1468 C PRO A 93 3.194 -1.344 -9.412 1.00 0.00 C ATOM 1469 O PRO A 93 2.621 -0.593 -8.588 1.00 0.00 O ATOM 1470 CB PRO A 93 2.067 -3.405 -10.131 1.00 0.00 C ATOM 1471 CG PRO A 93 0.934 -3.783 -9.270 1.00 0.00 C ATOM 1472 CD PRO A 93 1.440 -3.866 -7.862 1.00 0.00 C ATOM 0 HA PRO A 93 4.141 -3.276 -9.408 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.761 -2.661 -10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.435 -4.268 -10.685 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.134 -3.047 -9.346 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.518 -4.740 -9.584 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.725 -3.444 -7.156 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.613 -4.899 -7.561 1.00 0.00 H new ATOM 1480 N THR A 94 3.815 -0.915 -10.468 1.00 0.00 N ATOM 1481 CA THR A 94 3.852 0.473 -10.855 1.00 0.00 C ATOM 1482 C THR A 94 2.457 1.118 -10.727 1.00 0.00 C ATOM 1483 O THR A 94 2.291 2.143 -10.079 1.00 0.00 O ATOM 1484 CB THR A 94 4.340 0.567 -12.310 1.00 0.00 C ATOM 1485 OG1 THR A 94 5.748 0.281 -12.400 1.00 0.00 O ATOM 1486 CG2 THR A 94 3.988 1.897 -12.929 1.00 0.00 C ATOM 0 H THR A 94 4.324 -1.530 -11.103 1.00 0.00 H new ATOM 0 HA THR A 94 4.533 1.010 -10.194 1.00 0.00 H new ATOM 0 HB THR A 94 3.817 -0.194 -12.889 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.036 0.345 -13.335 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.349 1.927 -13.957 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.906 2.027 -12.920 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.455 2.699 -12.357 1.00 0.00 H new ATOM 1494 N GLU A 95 1.477 0.432 -11.263 1.00 0.00 N ATOM 1495 CA GLU A 95 0.104 0.877 -11.290 1.00 0.00 C ATOM 1496 C GLU A 95 -0.489 0.924 -9.944 1.00 0.00 C ATOM 1497 O GLU A 95 -1.240 1.821 -9.640 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.677 -0.074 -12.103 1.00 0.00 C ATOM 1499 CG GLU A 95 -0.085 -0.282 -13.435 1.00 0.00 C ATOM 1500 CD GLU A 95 -0.060 0.975 -14.255 1.00 0.00 C ATOM 1501 OE1 GLU A 95 -1.127 1.389 -14.751 1.00 0.00 O ATOM 1502 OE2 GLU A 95 1.010 1.575 -14.410 1.00 0.00 O ATOM 0 H GLU A 95 1.616 -0.477 -11.705 1.00 0.00 H new ATOM 0 HA GLU A 95 0.084 1.884 -11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.740 -1.029 -11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.696 0.296 -12.214 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.932 -0.659 -13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.652 -1.047 -13.966 1.00 0.00 H new ATOM 1509 N GLY A 96 -0.156 -0.046 -9.142 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.714 -0.133 -7.855 1.00 0.00 C ATOM 1511 C GLY A 96 -0.321 1.030 -7.022 1.00 0.00 C ATOM 1512 O GLY A 96 -1.154 1.721 -6.468 1.00 0.00 O ATOM 0 H GLY A 96 0.506 -0.786 -9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.800 -0.181 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.386 -1.055 -7.375 1.00 0.00 H new ATOM 1516 N TRP A 97 0.950 1.261 -7.001 1.00 0.00 N ATOM 1517 CA TRP A 97 1.542 2.377 -6.342 1.00 0.00 C ATOM 1518 C TRP A 97 1.004 3.680 -6.923 1.00 0.00 C ATOM 1519 O TRP A 97 0.576 4.554 -6.179 1.00 0.00 O ATOM 1520 CB TRP A 97 3.028 2.263 -6.526 1.00 0.00 C ATOM 1521 CG TRP A 97 3.781 3.468 -6.072 1.00 0.00 C ATOM 1522 CD1 TRP A 97 4.339 4.408 -6.867 1.00 0.00 C ATOM 1523 CD2 TRP A 97 4.031 3.870 -4.732 1.00 0.00 C ATOM 1524 NE1 TRP A 97 4.935 5.376 -6.104 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.763 5.065 -4.787 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.711 3.338 -3.497 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 5.183 5.733 -3.645 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.122 3.998 -2.365 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.853 5.185 -2.442 1.00 0.00 C ATOM 0 H TRP A 97 1.630 0.655 -7.460 1.00 0.00 H new ATOM 0 HA TRP A 97 1.299 2.382 -5.280 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.388 1.392 -5.978 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.243 2.087 -7.580 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.318 4.397 -7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.427 6.195 -6.462 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.148 2.419 -3.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.749 6.651 -3.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 3.875 3.591 -1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.162 5.678 -1.532 1.00 0.00 H new ATOM 1540 N ASN A 98 1.011 3.787 -8.260 1.00 0.00 N ATOM 1541 CA ASN A 98 0.448 4.948 -8.964 1.00 0.00 C ATOM 1542 C ASN A 98 -0.952 5.243 -8.513 1.00 0.00 C ATOM 1543 O ASN A 98 -1.301 6.376 -8.363 1.00 0.00 O ATOM 1544 CB ASN A 98 0.414 4.801 -10.497 1.00 0.00 C ATOM 1545 CG ASN A 98 1.745 4.978 -11.195 1.00 0.00 C ATOM 1546 OD1 ASN A 98 2.651 5.676 -10.709 1.00 0.00 O ATOM 1547 ND2 ASN A 98 1.852 4.419 -12.368 1.00 0.00 N ATOM 0 H ASN A 98 1.404 3.078 -8.879 1.00 0.00 H new ATOM 0 HA ASN A 98 1.125 5.763 -8.709 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.023 3.814 -10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.288 5.531 -10.900 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.701 4.548 -12.919 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.087 3.852 -12.735 1.00 0.00 H new ATOM 1554 N LYS A 99 -1.737 4.203 -8.269 1.00 0.00 N ATOM 1555 CA LYS A 99 -3.100 4.335 -7.841 1.00 0.00 C ATOM 1556 C LYS A 99 -3.158 4.937 -6.501 1.00 0.00 C ATOM 1557 O LYS A 99 -3.802 5.932 -6.291 1.00 0.00 O ATOM 1558 CB LYS A 99 -3.736 2.961 -7.853 1.00 0.00 C ATOM 1559 CG LYS A 99 -4.245 2.590 -9.230 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.526 1.121 -9.355 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.455 0.689 -10.813 1.00 0.00 C ATOM 1562 NZ LYS A 99 -5.648 1.071 -11.586 1.00 0.00 N ATOM 0 H LYS A 99 -1.429 3.235 -8.368 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.647 4.993 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.008 2.220 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.561 2.936 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.155 3.151 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.508 2.882 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.804 0.555 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.513 0.897 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.573 1.132 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.330 -0.393 -10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.416 1.083 -12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.408 0.383 -11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.964 2.017 -11.292 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.409 4.389 -5.627 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.406 4.799 -4.255 1.00 0.00 C ATOM 1578 C LEU A 100 -1.844 6.185 -4.088 1.00 0.00 C ATOM 1579 O LEU A 100 -2.301 6.965 -3.256 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.674 3.730 -3.523 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.346 2.403 -3.793 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -1.650 1.253 -3.242 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -3.776 2.437 -3.374 1.00 0.00 C ATOM 0 H LEU A 100 -1.763 3.627 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.410 4.896 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.633 3.698 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.671 3.940 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.300 2.263 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.201 0.344 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.649 1.194 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.576 1.357 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.238 1.471 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.837 2.650 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.300 3.215 -3.930 1.00 0.00 H new ATOM 1595 N VAL A 101 -0.934 6.513 -4.931 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.368 7.791 -4.973 1.00 0.00 C ATOM 1597 C VAL A 101 -1.294 8.787 -5.730 1.00 0.00 C ATOM 1598 O VAL A 101 -1.290 9.989 -5.472 1.00 0.00 O ATOM 1599 CB VAL A 101 1.038 7.695 -5.578 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.540 9.026 -5.999 1.00 0.00 C ATOM 1601 CG2 VAL A 101 1.977 7.092 -4.557 1.00 0.00 C ATOM 0 H VAL A 101 -0.558 5.871 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.270 8.190 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 101 0.990 7.062 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.539 8.921 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.870 9.447 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.581 9.689 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.979 7.021 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.003 7.723 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.627 6.096 -4.284 1.00 0.00 H new ATOM 1611 N SER A 102 -2.117 8.278 -6.596 1.00 0.00 N ATOM 1612 CA SER A 102 -3.028 9.098 -7.330 1.00 0.00 C ATOM 1613 C SER A 102 -4.194 9.443 -6.418 1.00 0.00 C ATOM 1614 O SER A 102 -4.735 10.547 -6.453 1.00 0.00 O ATOM 1615 CB SER A 102 -3.531 8.341 -8.574 1.00 0.00 C ATOM 1616 OG SER A 102 -4.286 9.168 -9.447 1.00 0.00 O ATOM 0 H SER A 102 -2.175 7.283 -6.813 1.00 0.00 H new ATOM 0 HA SER A 102 -2.532 10.010 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.678 7.931 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.144 7.497 -8.258 1.00 0.00 H new ATOM 0 HG SER A 102 -4.581 8.644 -10.221 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.546 8.491 -5.574 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.660 8.649 -4.692 1.00 0.00 C ATOM 1624 C TRP A 103 -5.267 9.422 -3.434 1.00 0.00 C ATOM 1625 O TRP A 103 -5.944 10.387 -3.059 1.00 0.00 O ATOM 1626 CB TRP A 103 -6.264 7.277 -4.307 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.658 6.395 -5.478 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -6.967 6.787 -6.749 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.758 4.966 -5.478 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -7.288 5.693 -7.513 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -7.151 4.574 -6.769 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.558 3.986 -4.520 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -7.344 3.248 -7.123 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.747 2.667 -4.879 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -7.135 2.313 -6.170 1.00 0.00 C ATOM 0 H TRP A 103 -4.064 7.596 -5.490 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.417 9.224 -5.225 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.541 6.739 -3.694 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.145 7.446 -3.687 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.960 7.808 -7.101 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.583 5.721 -8.489 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.261 4.248 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.650 2.973 -8.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.591 1.892 -4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.271 1.270 -6.414 1.00 0.00 H new ATOM 1646 N TYR A 104 -4.168 9.024 -2.794 1.00 0.00 N ATOM 1647 CA TYR A 104 -3.796 9.600 -1.511 1.00 0.00 C ATOM 1648 C TYR A 104 -2.357 10.060 -1.428 1.00 0.00 C ATOM 1649 O TYR A 104 -1.924 10.509 -0.368 1.00 0.00 O ATOM 1650 CB TYR A 104 -4.133 8.626 -0.386 1.00 0.00 C ATOM 1651 CG TYR A 104 -5.614 8.582 -0.109 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -6.216 9.573 0.653 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -6.417 7.590 -0.647 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -7.572 9.573 0.879 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -7.777 7.590 -0.437 1.00 0.00 C ATOM 1656 CZ TYR A 104 -8.351 8.584 0.328 1.00 0.00 C ATOM 1657 OH TYR A 104 -9.714 8.590 0.535 1.00 0.00 O ATOM 0 H TYR A 104 -3.527 8.311 -3.143 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.387 10.509 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.783 7.628 -0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.602 8.919 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.608 10.359 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.970 6.806 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.022 10.345 1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.392 6.815 -0.869 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.024 9.513 0.643 1.00 0.00 H new ATOM 1667 N THR A 105 -1.660 10.013 -2.560 1.00 0.00 N ATOM 1668 CA THR A 105 -0.262 10.399 -2.716 1.00 0.00 C ATOM 1669 C THR A 105 0.686 9.824 -1.677 1.00 0.00 C ATOM 1670 O THR A 105 0.365 8.958 -0.855 1.00 0.00 O ATOM 1671 CB THR A 105 -0.055 11.954 -2.953 1.00 0.00 C ATOM 1672 OG1 THR A 105 1.293 12.267 -3.379 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.398 12.765 -1.742 1.00 0.00 C ATOM 0 H THR A 105 -2.075 9.689 -3.434 1.00 0.00 H new ATOM 0 HA THR A 105 0.033 9.911 -3.645 1.00 0.00 H new ATOM 0 HB THR A 105 -0.744 12.222 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.556 11.662 -4.104 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.240 13.822 -1.955 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.443 12.601 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.238 12.463 -0.910 1.00 0.00 H new ATOM 1681 N LEU A 106 1.827 10.288 -1.778 1.00 0.00 N ATOM 1682 CA LEU A 106 2.935 9.871 -1.043 1.00 0.00 C ATOM 1683 C LEU A 106 3.181 10.969 -0.004 1.00 0.00 C ATOM 1684 O LEU A 106 2.801 12.121 -0.237 1.00 0.00 O ATOM 1685 CB LEU A 106 4.075 9.840 -2.049 1.00 0.00 C ATOM 1686 CG LEU A 106 5.233 8.845 -1.885 1.00 0.00 C ATOM 1687 CD1 LEU A 106 6.445 9.294 -2.657 1.00 0.00 C ATOM 1688 CD2 LEU A 106 5.579 8.520 -0.454 1.00 0.00 C ATOM 0 H LEU A 106 2.050 11.039 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 106 2.823 8.906 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.634 9.661 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.510 10.839 -2.073 1.00 0.00 H new ATOM 0 HG LEU A 106 4.873 7.907 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.250 8.571 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.195 9.368 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.768 10.269 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.406 7.811 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.869 9.433 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.712 8.081 0.039 1.00 0.00 H new ATOM 1700 N MET A 107 3.748 10.627 1.132 1.00 0.00 N ATOM 1701 CA MET A 107 4.096 11.634 2.135 1.00 0.00 C ATOM 1702 C MET A 107 5.137 12.580 1.628 1.00 0.00 C ATOM 1703 O MET A 107 5.936 12.258 0.723 1.00 0.00 O ATOM 1704 CB MET A 107 4.609 11.011 3.413 1.00 0.00 C ATOM 1705 CG MET A 107 3.553 10.403 4.286 1.00 0.00 C ATOM 1706 SD MET A 107 2.695 11.577 5.333 1.00 0.00 S ATOM 1707 CE MET A 107 4.006 11.870 6.506 1.00 0.00 C ATOM 0 H MET A 107 3.980 9.668 1.392 1.00 0.00 H new ATOM 0 HA MET A 107 3.173 12.175 2.342 1.00 0.00 H new ATOM 0 HB2 MET A 107 5.337 10.241 3.158 1.00 0.00 H new ATOM 0 HB3 MET A 107 5.138 11.773 3.985 1.00 0.00 H new ATOM 0 HG2 MET A 107 2.823 9.897 3.654 1.00 0.00 H new ATOM 0 HG3 MET A 107 4.013 9.641 4.915 1.00 0.00 H new ATOM 0 HE1 MET A 107 3.665 11.605 7.507 1.00 0.00 H new ATOM 0 HE2 MET A 107 4.871 11.260 6.245 1.00 0.00 H new ATOM 0 HE3 MET A 107 4.285 12.924 6.485 1.00 0.00 H new ATOM 1717 N GLU A 108 5.142 13.721 2.210 1.00 0.00 N ATOM 1718 CA GLU A 108 6.046 14.732 1.910 1.00 0.00 C ATOM 1719 C GLU A 108 7.386 14.392 2.502 1.00 0.00 C ATOM 1720 O GLU A 108 7.484 13.860 3.619 1.00 0.00 O ATOM 1721 CB GLU A 108 5.531 16.074 2.434 1.00 0.00 C ATOM 1722 CG GLU A 108 5.471 16.227 3.961 1.00 0.00 C ATOM 1723 CD GLU A 108 4.313 15.490 4.651 1.00 0.00 C ATOM 1724 OE1 GLU A 108 3.525 14.798 3.982 1.00 0.00 O ATOM 1725 OE2 GLU A 108 4.159 15.629 5.879 1.00 0.00 O ATOM 0 H GLU A 108 4.478 13.973 2.942 1.00 0.00 H new ATOM 0 HA GLU A 108 6.155 14.819 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.167 16.864 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.530 16.237 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.410 15.869 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.398 17.288 4.201 1.00 0.00 H new ATOM 1732 N GLY A 109 8.395 14.633 1.739 1.00 0.00 N ATOM 1733 CA GLY A 109 9.728 14.377 2.164 1.00 0.00 C ATOM 1734 C GLY A 109 10.180 12.973 1.821 1.00 0.00 C ATOM 1735 O GLY A 109 11.284 12.554 2.176 1.00 0.00 O ATOM 0 H GLY A 109 8.319 15.016 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.400 15.097 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.799 14.526 3.241 1.00 0.00 H new ATOM 1739 N GLN A 110 9.335 12.247 1.127 1.00 0.00 N ATOM 1740 CA GLN A 110 9.624 10.886 0.762 1.00 0.00 C ATOM 1741 C GLN A 110 9.620 10.702 -0.709 1.00 0.00 C ATOM 1742 O GLN A 110 9.183 11.569 -1.469 1.00 0.00 O ATOM 1743 CB GLN A 110 8.627 9.924 1.381 1.00 0.00 C ATOM 1744 CG GLN A 110 8.754 9.831 2.856 1.00 0.00 C ATOM 1745 CD GLN A 110 7.699 8.969 3.502 1.00 0.00 C ATOM 1746 OE1 GLN A 110 7.197 8.001 2.920 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.342 9.325 4.688 1.00 0.00 N ATOM 0 H GLN A 110 8.430 12.586 0.801 1.00 0.00 H new ATOM 0 HA GLN A 110 10.621 10.668 1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.616 10.244 1.128 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.767 8.934 0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 110 9.738 9.432 3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 110 8.701 10.834 3.280 1.00 0.00 H new ATOM 0 HE21 GLN A 110 7.782 10.131 5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 110 6.620 8.801 5.182 1.00 0.00 H new ATOM 1756 N GLU A 111 10.085 9.566 -1.096 1.00 0.00 N ATOM 1757 CA GLU A 111 10.144 9.158 -2.447 1.00 0.00 C ATOM 1758 C GLU A 111 9.713 7.714 -2.493 1.00 0.00 C ATOM 1759 O GLU A 111 9.731 7.046 -1.461 1.00 0.00 O ATOM 1760 CB GLU A 111 11.556 9.270 -3.013 1.00 0.00 C ATOM 1761 CG GLU A 111 12.163 10.646 -2.975 1.00 0.00 C ATOM 1762 CD GLU A 111 13.345 10.725 -3.873 1.00 0.00 C ATOM 1763 OE1 GLU A 111 14.358 10.067 -3.606 1.00 0.00 O ATOM 1764 OE2 GLU A 111 13.260 11.415 -4.909 1.00 0.00 O ATOM 0 H GLU A 111 10.450 8.869 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 111 9.499 9.801 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.205 8.591 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.542 8.927 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.421 11.385 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.459 10.890 -1.955 1.00 0.00 H new ATOM 1771 N PRO A 112 9.276 7.225 -3.651 1.00 0.00 N ATOM 1772 CA PRO A 112 8.930 5.834 -3.830 1.00 0.00 C ATOM 1773 C PRO A 112 10.108 4.979 -3.731 1.00 0.00 C ATOM 1774 O PRO A 112 11.173 5.260 -4.287 1.00 0.00 O ATOM 1775 CB PRO A 112 8.348 5.740 -5.226 1.00 0.00 C ATOM 1776 CG PRO A 112 8.118 7.145 -5.662 1.00 0.00 C ATOM 1777 CD PRO A 112 9.065 7.996 -4.875 1.00 0.00 C ATOM 0 HA PRO A 112 8.232 5.502 -3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.033 5.227 -5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.417 5.173 -5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.297 7.253 -6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.086 7.443 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.999 8.160 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.642 8.978 -4.663 1.00 0.00 H new ATOM 1785 N ILE A 113 9.932 3.955 -3.013 1.00 0.00 N ATOM 1786 CA ILE A 113 10.923 3.010 -2.872 1.00 0.00 C ATOM 1787 C ILE A 113 10.655 1.939 -3.889 1.00 0.00 C ATOM 1788 O ILE A 113 9.689 1.181 -3.763 1.00 0.00 O ATOM 1789 CB ILE A 113 10.978 2.363 -1.479 1.00 0.00 C ATOM 1790 CG1 ILE A 113 11.190 3.384 -0.329 1.00 0.00 C ATOM 1791 CG2 ILE A 113 12.091 1.386 -1.497 1.00 0.00 C ATOM 1792 CD1 ILE A 113 9.965 4.199 0.046 1.00 0.00 C ATOM 0 H ILE A 113 9.074 3.754 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 113 11.882 3.508 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 113 10.017 1.890 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.533 2.846 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.988 4.069 -0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 113 12.166 0.902 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.902 0.634 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 113 13.025 1.903 -1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.217 4.882 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.630 4.772 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.168 3.530 0.369 1.00 0.00 H new ATOM 1804 N ALA A 114 11.444 1.907 -4.897 1.00 0.00 N ATOM 1805 CA ALA A 114 11.280 0.938 -5.908 1.00 0.00 C ATOM 1806 C ALA A 114 12.146 -0.266 -5.651 1.00 0.00 C ATOM 1807 O ALA A 114 13.357 -0.164 -5.422 1.00 0.00 O ATOM 1808 CB ALA A 114 11.521 1.520 -7.256 1.00 0.00 C ATOM 0 H ALA A 114 12.221 2.552 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 114 10.244 0.600 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.387 0.749 -8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.814 2.331 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.538 1.908 -7.308 1.00 0.00 H new ATOM 1814 N ARG A 115 11.513 -1.378 -5.689 1.00 0.00 N ATOM 1815 CA ARG A 115 12.078 -2.643 -5.396 1.00 0.00 C ATOM 1816 C ARG A 115 11.953 -3.501 -6.615 1.00 0.00 C ATOM 1817 O ARG A 115 10.855 -3.686 -7.128 1.00 0.00 O ATOM 1818 CB ARG A 115 11.260 -3.246 -4.245 1.00 0.00 C ATOM 1819 CG ARG A 115 11.641 -4.639 -3.771 1.00 0.00 C ATOM 1820 CD ARG A 115 13.040 -4.686 -3.218 1.00 0.00 C ATOM 1821 NE ARG A 115 13.405 -6.055 -2.796 1.00 0.00 N ATOM 1822 CZ ARG A 115 14.516 -6.726 -3.135 1.00 0.00 C ATOM 1823 NH1 ARG A 115 15.377 -6.213 -4.008 1.00 0.00 N ATOM 1824 NH2 ARG A 115 14.750 -7.928 -2.610 1.00 0.00 N ATOM 0 H ARG A 115 10.526 -1.434 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 115 13.128 -2.568 -5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 115 11.328 -2.570 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 115 10.214 -3.269 -4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 115 10.938 -4.966 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 115 11.556 -5.340 -4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 115 13.744 -4.336 -3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 115 13.121 -4.008 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 115 12.746 -6.538 -2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 115 15.196 -5.301 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 115 16.219 -6.731 -4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 115 14.085 -8.335 -1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 115 15.594 -8.441 -2.866 1.00 0.00 H new ATOM 1838 N LYS A 116 13.057 -3.958 -7.129 1.00 0.00 N ATOM 1839 CA LYS A 116 13.021 -4.904 -8.193 1.00 0.00 C ATOM 1840 C LYS A 116 12.476 -6.202 -7.688 1.00 0.00 C ATOM 1841 O LYS A 116 12.524 -6.480 -6.477 1.00 0.00 O ATOM 1842 CB LYS A 116 14.406 -5.139 -8.755 1.00 0.00 C ATOM 1843 CG LYS A 116 14.723 -4.385 -10.030 1.00 0.00 C ATOM 1844 CD LYS A 116 14.503 -2.886 -9.941 1.00 0.00 C ATOM 1845 CE LYS A 116 14.850 -2.240 -11.274 1.00 0.00 C ATOM 1846 NZ LYS A 116 14.603 -0.786 -11.295 1.00 0.00 N ATOM 0 H LYS A 116 13.992 -3.688 -6.825 1.00 0.00 H new ATOM 0 HA LYS A 116 12.383 -4.507 -8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.139 -4.863 -7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.528 -6.206 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.762 -4.572 -10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.107 -4.783 -10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 116 13.465 -2.675 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.121 -2.464 -9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.900 -2.427 -11.499 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.266 -2.713 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 15.084 -0.364 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.581 -0.609 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.970 -0.359 -10.421 1.00 0.00 H new ATOM 1860 N VAL A 117 11.940 -6.969 -8.586 1.00 0.00 N ATOM 1861 CA VAL A 117 11.469 -8.278 -8.272 1.00 0.00 C ATOM 1862 C VAL A 117 12.635 -9.101 -7.765 1.00 0.00 C ATOM 1863 O VAL A 117 13.792 -8.929 -8.201 1.00 0.00 O ATOM 1864 CB VAL A 117 10.845 -8.946 -9.509 1.00 0.00 C ATOM 1865 CG1 VAL A 117 10.369 -10.372 -9.239 1.00 0.00 C ATOM 1866 CG2 VAL A 117 9.713 -8.107 -10.055 1.00 0.00 C ATOM 0 H VAL A 117 11.817 -6.701 -9.562 1.00 0.00 H new ATOM 0 HA VAL A 117 10.697 -8.211 -7.505 1.00 0.00 H new ATOM 0 HB VAL A 117 11.635 -9.013 -10.257 1.00 0.00 H new ATOM 0 HG11 VAL A 117 9.938 -10.790 -10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 117 11.214 -10.984 -8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.615 -10.361 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.286 -8.597 -10.930 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.944 -7.992 -9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 117 10.092 -7.125 -10.339 1.00 0.00 H new ATOM 1876 N VAL A 118 12.327 -9.954 -6.870 1.00 0.00 N ATOM 1877 CA VAL A 118 13.257 -10.747 -6.203 1.00 0.00 C ATOM 1878 C VAL A 118 13.920 -11.750 -7.114 1.00 0.00 C ATOM 1879 O VAL A 118 13.339 -12.227 -8.100 1.00 0.00 O ATOM 1880 CB VAL A 118 12.638 -11.407 -4.980 1.00 0.00 C ATOM 1881 CG1 VAL A 118 12.474 -10.389 -3.873 1.00 0.00 C ATOM 1882 CG2 VAL A 118 11.297 -12.050 -5.315 1.00 0.00 C ATOM 0 H VAL A 118 11.366 -10.121 -6.573 1.00 0.00 H new ATOM 0 HA VAL A 118 14.051 -10.086 -5.854 1.00 0.00 H new ATOM 0 HB VAL A 118 13.309 -12.197 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.030 -10.869 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.449 -9.981 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 118 11.824 -9.583 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 118 10.882 -12.513 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 118 10.610 -11.288 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.440 -12.810 -6.083 1.00 0.00 H new ATOM 1892 N GLU A 119 15.118 -12.056 -6.765 1.00 0.00 N ATOM 1893 CA GLU A 119 16.020 -12.852 -7.570 1.00 0.00 C ATOM 1894 C GLU A 119 15.960 -14.302 -7.150 1.00 0.00 C ATOM 1895 O GLU A 119 16.578 -15.181 -7.767 1.00 0.00 O ATOM 1896 CB GLU A 119 17.389 -12.295 -7.326 1.00 0.00 C ATOM 1897 CG GLU A 119 17.418 -10.804 -7.520 1.00 0.00 C ATOM 1898 CD GLU A 119 18.722 -10.169 -7.149 1.00 0.00 C ATOM 1899 OE1 GLU A 119 19.630 -10.119 -7.997 1.00 0.00 O ATOM 1900 OE2 GLU A 119 18.851 -9.674 -6.018 1.00 0.00 O ATOM 0 H GLU A 119 15.527 -11.755 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 119 15.754 -12.812 -8.626 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.707 -12.538 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.101 -12.765 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.200 -10.579 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.624 -10.354 -6.924 1.00 0.00 H new ATOM 1907 N GLN A 120 15.263 -14.515 -6.067 1.00 0.00 N ATOM 1908 CA GLN A 120 15.018 -15.832 -5.504 1.00 0.00 C ATOM 1909 C GLN A 120 14.420 -16.789 -6.547 1.00 0.00 C ATOM 1910 O GLN A 120 15.106 -17.756 -6.925 1.00 0.00 O ATOM 1911 CB GLN A 120 14.141 -15.746 -4.243 1.00 0.00 C ATOM 1912 CG GLN A 120 12.809 -15.059 -4.451 1.00 0.00 C ATOM 1913 CD GLN A 120 11.944 -15.050 -3.216 1.00 0.00 C ATOM 1914 OE1 GLN A 120 12.006 -14.126 -2.397 1.00 0.00 O ATOM 1915 NE2 GLN A 120 11.117 -16.045 -3.083 1.00 0.00 N ATOM 1916 OXT GLN A 120 13.303 -16.535 -7.059 1.00 0.00 O ATOM 0 H GLN A 120 14.834 -13.761 -5.530 1.00 0.00 H new ATOM 0 HA GLN A 120 15.981 -16.245 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 120 13.961 -16.755 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 120 14.693 -15.214 -3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 120 12.984 -14.032 -4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 120 12.273 -15.558 -5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 120 11.097 -16.788 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 120 10.489 -16.082 -2.280 1.00 0.00 H new TER 1925 GLN A 120