USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.23) USER MOD Single : A 1 HIS N :NH3+ 141:sc= 0.0538 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0116 (180deg=-0.139) USER MOD Single : A 8 TYR OH : rot -46:sc= 1.39 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.064) USER MOD Single : A 17 ASN : amide:sc= -0.405 K(o=-0.4,f=-3.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.42 K(o=-2.4,f=-4.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0986 K(o=-0.099,f=-0.94) USER MOD Single : A 32 LYS NZ :NH3+ 144:sc= -0.0326 (180deg=-0.274) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0918) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-4.9!) USER MOD Single : A 38 THR OG1 : rot -42:sc= 0.104 USER MOD Single : A 39 ASN : amide:sc= -2.91 K(o=-2.9,f=-4.5!) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= 0.474 (180deg=0.351) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.17) USER MOD Single : A 56 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0066 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -179:sc= -0.232 (180deg=-0.235) USER MOD Single : A 67 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.49) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0374 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -2.596 -4.738 0.677 1.00 33.24 N ATOM 2 CA HIS A 1 -1.743 -4.414 -0.460 1.00 5.52 C ATOM 3 C HIS A 1 -1.961 -2.972 -0.909 1.00 5.33 C ATOM 4 O HIS A 1 -3.045 -2.415 -0.737 1.00 24.45 O ATOM 5 CB HIS A 1 -2.019 -5.369 -1.621 1.00 41.21 C ATOM 6 CG HIS A 1 -1.016 -5.271 -2.729 1.00 25.33 C ATOM 7 ND1 HIS A 1 0.346 -5.305 -2.516 1.00 24.24 N ATOM 8 CD2 HIS A 1 -1.182 -5.142 -4.066 1.00 14.13 C ATOM 9 CE1 HIS A 1 0.974 -5.199 -3.673 1.00 72.23 C ATOM 10 NE2 HIS A 1 0.069 -5.099 -4.630 1.00 73.21 N ATOM 0 H1 HIS A 1 -2.956 -5.708 0.575 1.00 33.24 H new ATOM 0 H2 HIS A 1 -2.046 -4.663 1.556 1.00 33.24 H new ATOM 0 H3 HIS A 1 -3.395 -4.074 0.712 1.00 33.24 H new ATOM 0 HA HIS A 1 -0.705 -4.526 -0.147 1.00 5.52 H new ATOM 0 HB2 HIS A 1 -2.033 -6.392 -1.244 1.00 41.21 H new ATOM 0 HB3 HIS A 1 -3.012 -5.164 -2.021 1.00 41.21 H new ATOM 0 HD2 HIS A 1 -2.124 -5.084 -4.592 1.00 14.13 H new ATOM 0 HE1 HIS A 1 2.045 -5.195 -3.813 1.00 72.23 H new ATOM 0 HE2 HIS A 1 0.267 -5.005 -5.626 1.00 73.21 H new ATOM 18 N MET A 2 -0.923 -2.373 -1.484 1.00 1.22 N ATOM 19 CA MET A 2 -1.002 -0.996 -1.957 1.00 41.15 C ATOM 20 C MET A 2 -1.953 -0.883 -3.145 1.00 23.11 C ATOM 21 O MET A 2 -2.859 -0.049 -3.150 1.00 74.43 O ATOM 22 CB MET A 2 0.387 -0.489 -2.351 1.00 52.13 C ATOM 23 CG MET A 2 1.380 -0.483 -1.201 1.00 3.22 C ATOM 24 SD MET A 2 3.081 -0.721 -1.750 1.00 71.14 S ATOM 25 CE MET A 2 3.808 0.851 -1.293 1.00 72.25 C ATOM 0 H MET A 2 -0.018 -2.819 -1.633 1.00 1.22 H new ATOM 0 HA MET A 2 -1.389 -0.381 -1.145 1.00 41.15 H new ATOM 0 HB2 MET A 2 0.778 -1.113 -3.155 1.00 52.13 H new ATOM 0 HB3 MET A 2 0.297 0.522 -2.748 1.00 52.13 H new ATOM 0 HG2 MET A 2 1.304 0.464 -0.666 1.00 3.22 H new ATOM 0 HG3 MET A 2 1.117 -1.270 -0.495 1.00 3.22 H new ATOM 0 HE1 MET A 2 4.862 0.858 -1.569 1.00 72.25 H new ATOM 0 HE2 MET A 2 3.291 1.656 -1.814 1.00 72.25 H new ATOM 0 HE3 MET A 2 3.714 0.996 -0.217 1.00 72.25 H new ATOM 35 N LEU A 3 -1.740 -1.726 -4.149 1.00 71.13 N ATOM 36 CA LEU A 3 -2.579 -1.721 -5.343 1.00 44.11 C ATOM 37 C LEU A 3 -3.927 -2.378 -5.065 1.00 3.04 C ATOM 38 O LEU A 3 -4.025 -3.293 -4.248 1.00 13.03 O ATOM 39 CB LEU A 3 -1.872 -2.446 -6.490 1.00 30.23 C ATOM 40 CG LEU A 3 -0.678 -1.719 -7.110 1.00 14.13 C ATOM 41 CD1 LEU A 3 0.036 -2.619 -8.106 1.00 5.14 C ATOM 42 CD2 LEU A 3 -1.129 -0.430 -7.781 1.00 12.21 C ATOM 0 H LEU A 3 -0.994 -2.422 -4.161 1.00 71.13 H new ATOM 0 HA LEU A 3 -2.754 -0.684 -5.629 1.00 44.11 H new ATOM 0 HB2 LEU A 3 -1.532 -3.415 -6.126 1.00 30.23 H new ATOM 0 HB3 LEU A 3 -2.602 -2.639 -7.276 1.00 30.23 H new ATOM 0 HG LEU A 3 0.022 -1.465 -6.314 1.00 14.13 H new ATOM 0 HD11 LEU A 3 0.883 -2.085 -8.537 1.00 5.14 H new ATOM 0 HD12 LEU A 3 0.393 -3.514 -7.597 1.00 5.14 H new ATOM 0 HD13 LEU A 3 -0.655 -2.904 -8.899 1.00 5.14 H new ATOM 0 HD21 LEU A 3 -0.267 0.074 -8.217 1.00 12.21 H new ATOM 0 HD22 LEU A 3 -1.849 -0.661 -8.566 1.00 12.21 H new ATOM 0 HD23 LEU A 3 -1.595 0.221 -7.042 1.00 12.21 H new ATOM 54 N ALA A 4 -4.962 -1.906 -5.751 1.00 12.10 N ATOM 55 CA ALA A 4 -6.304 -2.450 -5.581 1.00 24.33 C ATOM 56 C ALA A 4 -6.540 -3.630 -6.518 1.00 15.31 C ATOM 57 O ALA A 4 -6.123 -3.609 -7.676 1.00 75.42 O ATOM 58 CB ALA A 4 -7.346 -1.368 -5.817 1.00 54.13 C ATOM 0 H ALA A 4 -4.897 -1.148 -6.430 1.00 12.10 H new ATOM 0 HA ALA A 4 -6.397 -2.810 -4.556 1.00 24.33 H new ATOM 0 HB1 ALA A 4 -8.343 -1.789 -5.687 1.00 54.13 H new ATOM 0 HB2 ALA A 4 -7.198 -0.558 -5.103 1.00 54.13 H new ATOM 0 HB3 ALA A 4 -7.245 -0.981 -6.831 1.00 54.13 H new ATOM 64 N LYS A 5 -7.212 -4.658 -6.010 1.00 1.52 N ATOM 65 CA LYS A 5 -7.505 -5.847 -6.801 1.00 14.40 C ATOM 66 C LYS A 5 -8.549 -5.544 -7.872 1.00 3.13 C ATOM 67 O LYS A 5 -9.596 -4.965 -7.584 1.00 63.10 O ATOM 68 CB LYS A 5 -8.001 -6.977 -5.896 1.00 41.11 C ATOM 69 CG LYS A 5 -7.732 -8.364 -6.453 1.00 24.22 C ATOM 70 CD LYS A 5 -6.528 -9.009 -5.786 1.00 11.33 C ATOM 71 CE LYS A 5 -5.251 -8.749 -6.570 1.00 22.14 C ATOM 72 NZ LYS A 5 -5.208 -9.532 -7.836 1.00 32.14 N ATOM 0 H LYS A 5 -7.564 -4.691 -5.053 1.00 1.52 H new ATOM 0 HA LYS A 5 -6.585 -6.161 -7.294 1.00 14.40 H new ATOM 0 HB2 LYS A 5 -7.522 -6.887 -4.921 1.00 41.11 H new ATOM 0 HB3 LYS A 5 -9.073 -6.860 -5.737 1.00 41.11 H new ATOM 0 HG2 LYS A 5 -8.610 -8.993 -6.307 1.00 24.22 H new ATOM 0 HG3 LYS A 5 -7.562 -8.299 -7.528 1.00 24.22 H new ATOM 0 HD2 LYS A 5 -6.420 -8.620 -4.773 1.00 11.33 H new ATOM 0 HD3 LYS A 5 -6.691 -10.083 -5.699 1.00 11.33 H new ATOM 0 HE2 LYS A 5 -5.175 -7.686 -6.798 1.00 22.14 H new ATOM 0 HE3 LYS A 5 -4.389 -9.006 -5.955 1.00 22.14 H new ATOM 0 HZ1 LYS A 5 -4.229 -9.574 -8.185 1.00 32.14 H new ATOM 0 HZ2 LYS A 5 -5.555 -10.497 -7.660 1.00 32.14 H new ATOM 0 HZ3 LYS A 5 -5.810 -9.073 -8.549 1.00 32.14 H new ATOM 86 N GLU A 6 -8.256 -5.940 -9.106 1.00 65.43 N ATOM 87 CA GLU A 6 -9.170 -5.711 -10.219 1.00 22.21 C ATOM 88 C GLU A 6 -9.773 -7.025 -10.707 1.00 34.14 C ATOM 89 O GLU A 6 -9.253 -8.104 -10.421 1.00 44.42 O ATOM 90 CB GLU A 6 -8.443 -5.013 -11.370 1.00 2.21 C ATOM 91 CG GLU A 6 -7.570 -3.852 -10.923 1.00 64.24 C ATOM 92 CD GLU A 6 -7.465 -2.763 -11.973 1.00 55.02 C ATOM 93 OE1 GLU A 6 -6.334 -2.465 -12.410 1.00 32.22 O ATOM 94 OE2 GLU A 6 -8.516 -2.209 -12.358 1.00 53.51 O ATOM 0 H GLU A 6 -7.393 -6.421 -9.361 1.00 65.43 H new ATOM 0 HA GLU A 6 -9.977 -5.069 -9.866 1.00 22.21 H new ATOM 0 HB2 GLU A 6 -7.824 -5.742 -11.893 1.00 2.21 H new ATOM 0 HB3 GLU A 6 -9.180 -4.648 -12.086 1.00 2.21 H new ATOM 0 HG2 GLU A 6 -7.977 -3.428 -10.005 1.00 64.24 H new ATOM 0 HG3 GLU A 6 -6.572 -4.222 -10.688 1.00 64.24 H new ATOM 101 N ASP A 7 -10.875 -6.926 -11.443 1.00 4.00 N ATOM 102 CA ASP A 7 -11.550 -8.106 -11.971 1.00 42.44 C ATOM 103 C ASP A 7 -11.132 -8.370 -13.415 1.00 31.04 C ATOM 104 O ASP A 7 -10.746 -7.451 -14.138 1.00 74.41 O ATOM 105 CB ASP A 7 -13.067 -7.930 -11.890 1.00 60.25 C ATOM 106 CG ASP A 7 -13.530 -7.525 -10.505 1.00 21.53 C ATOM 107 OD1 ASP A 7 -12.735 -7.659 -9.551 1.00 1.04 O ATOM 108 OD2 ASP A 7 -14.687 -7.074 -10.374 1.00 62.44 O ATOM 0 H ASP A 7 -11.320 -6.041 -11.687 1.00 4.00 H new ATOM 0 HA ASP A 7 -11.259 -8.964 -11.365 1.00 42.44 H new ATOM 0 HB2 ASP A 7 -13.381 -7.174 -12.610 1.00 60.25 H new ATOM 0 HB3 ASP A 7 -13.554 -8.863 -12.174 1.00 60.25 H new ATOM 113 N TYR A 8 -11.211 -9.630 -13.826 1.00 64.52 N ATOM 114 CA TYR A 8 -10.837 -10.017 -15.182 1.00 14.52 C ATOM 115 C TYR A 8 -11.607 -9.197 -16.213 1.00 73.20 C ATOM 116 O TYR A 8 -11.108 -8.927 -17.306 1.00 15.43 O ATOM 117 CB TYR A 8 -11.099 -11.508 -15.400 1.00 50.32 C ATOM 118 CG TYR A 8 -10.455 -12.394 -14.359 1.00 31.45 C ATOM 119 CD1 TYR A 8 -11.121 -13.506 -13.857 1.00 11.14 C ATOM 120 CD2 TYR A 8 -9.182 -12.120 -13.875 1.00 64.54 C ATOM 121 CE1 TYR A 8 -10.537 -14.319 -12.904 1.00 51.32 C ATOM 122 CE2 TYR A 8 -8.589 -12.928 -12.924 1.00 74.53 C ATOM 123 CZ TYR A 8 -9.271 -14.026 -12.442 1.00 31.13 C ATOM 124 OH TYR A 8 -8.685 -14.833 -11.493 1.00 51.31 O ATOM 0 H TYR A 8 -11.531 -10.401 -13.240 1.00 64.52 H new ATOM 0 HA TYR A 8 -9.772 -9.820 -15.309 1.00 14.52 H new ATOM 0 HB2 TYR A 8 -12.175 -11.683 -15.399 1.00 50.32 H new ATOM 0 HB3 TYR A 8 -10.731 -11.793 -16.386 1.00 50.32 H new ATOM 0 HD1 TYR A 8 -12.112 -13.739 -14.218 1.00 11.14 H new ATOM 0 HD2 TYR A 8 -8.646 -11.260 -14.249 1.00 64.54 H new ATOM 0 HE1 TYR A 8 -11.069 -15.178 -12.523 1.00 51.32 H new ATOM 0 HE2 TYR A 8 -7.598 -12.701 -12.560 1.00 74.53 H new ATOM 0 HH TYR A 8 -9.331 -15.023 -10.781 1.00 51.31 H new ATOM 134 N TYR A 9 -12.825 -8.805 -15.857 1.00 53.21 N ATOM 135 CA TYR A 9 -13.666 -8.018 -16.751 1.00 14.41 C ATOM 136 C TYR A 9 -12.917 -6.793 -17.267 1.00 65.42 C ATOM 137 O TYR A 9 -12.980 -6.469 -18.453 1.00 4.45 O ATOM 138 CB TYR A 9 -14.943 -7.581 -16.031 1.00 34.12 C ATOM 139 CG TYR A 9 -15.759 -8.734 -15.492 1.00 20.54 C ATOM 140 CD1 TYR A 9 -15.667 -9.113 -14.158 1.00 64.11 C ATOM 141 CD2 TYR A 9 -16.623 -9.445 -16.316 1.00 61.00 C ATOM 142 CE1 TYR A 9 -16.409 -10.167 -13.662 1.00 13.23 C ATOM 143 CE2 TYR A 9 -17.371 -10.499 -15.828 1.00 23.12 C ATOM 144 CZ TYR A 9 -17.260 -10.856 -14.500 1.00 60.42 C ATOM 145 OH TYR A 9 -18.003 -11.906 -14.009 1.00 44.31 O ATOM 0 H TYR A 9 -13.252 -9.019 -14.956 1.00 53.21 H new ATOM 0 HA TYR A 9 -13.932 -8.645 -17.602 1.00 14.41 H new ATOM 0 HB2 TYR A 9 -14.677 -6.919 -15.207 1.00 34.12 H new ATOM 0 HB3 TYR A 9 -15.558 -7.002 -16.720 1.00 34.12 H new ATOM 0 HD1 TYR A 9 -15.004 -8.574 -13.498 1.00 64.11 H new ATOM 0 HD2 TYR A 9 -16.711 -9.169 -17.356 1.00 61.00 H new ATOM 0 HE1 TYR A 9 -16.323 -10.450 -12.623 1.00 13.23 H new ATOM 0 HE2 TYR A 9 -18.039 -11.040 -16.482 1.00 23.12 H new ATOM 0 HH TYR A 9 -18.552 -12.283 -14.728 1.00 44.31 H new ATOM 155 N GLN A 10 -12.207 -6.119 -16.368 1.00 30.52 N ATOM 156 CA GLN A 10 -11.445 -4.931 -16.732 1.00 24.03 C ATOM 157 C GLN A 10 -10.172 -5.309 -17.483 1.00 75.31 C ATOM 158 O GLN A 10 -9.770 -4.626 -18.425 1.00 10.41 O ATOM 159 CB GLN A 10 -11.092 -4.123 -15.482 1.00 24.23 C ATOM 160 CG GLN A 10 -12.306 -3.601 -14.731 1.00 74.34 C ATOM 161 CD GLN A 10 -13.049 -2.525 -15.499 1.00 63.42 C ATOM 162 OE1 GLN A 10 -12.843 -1.332 -15.275 1.00 21.34 O ATOM 163 NE2 GLN A 10 -13.918 -2.942 -16.412 1.00 72.21 N ATOM 0 H GLN A 10 -12.144 -6.375 -15.383 1.00 30.52 H new ATOM 0 HA GLN A 10 -12.065 -4.320 -17.388 1.00 24.03 H new ATOM 0 HB2 GLN A 10 -10.501 -4.747 -14.811 1.00 24.23 H new ATOM 0 HB3 GLN A 10 -10.463 -3.280 -15.770 1.00 24.23 H new ATOM 0 HG2 GLN A 10 -12.984 -4.429 -14.525 1.00 74.34 H new ATOM 0 HG3 GLN A 10 -11.989 -3.201 -13.768 1.00 74.34 H new ATOM 0 HE21 GLN A 10 -14.057 -3.941 -16.565 1.00 72.21 H new ATOM 0 HE22 GLN A 10 -14.446 -2.264 -16.961 1.00 72.21 H new ATOM 172 N ILE A 11 -9.544 -6.401 -17.061 1.00 32.15 N ATOM 173 CA ILE A 11 -8.318 -6.870 -17.694 1.00 52.13 C ATOM 174 C ILE A 11 -8.552 -7.205 -19.163 1.00 73.24 C ATOM 175 O ILE A 11 -7.619 -7.211 -19.967 1.00 4.32 O ATOM 176 CB ILE A 11 -7.754 -8.112 -16.979 1.00 73.15 C ATOM 177 CG1 ILE A 11 -7.476 -7.798 -15.508 1.00 60.21 C ATOM 178 CG2 ILE A 11 -6.488 -8.593 -17.673 1.00 34.12 C ATOM 179 CD1 ILE A 11 -7.206 -9.027 -14.669 1.00 35.35 C ATOM 0 H ILE A 11 -9.864 -6.978 -16.283 1.00 32.15 H new ATOM 0 HA ILE A 11 -7.594 -6.059 -17.619 1.00 52.13 H new ATOM 0 HB ILE A 11 -8.496 -8.909 -17.026 1.00 73.15 H new ATOM 0 HG12 ILE A 11 -6.618 -7.128 -15.444 1.00 60.21 H new ATOM 0 HG13 ILE A 11 -8.330 -7.264 -15.091 1.00 60.21 H new ATOM 0 HG21 ILE A 11 -6.101 -9.471 -17.156 1.00 34.12 H new ATOM 0 HG22 ILE A 11 -6.716 -8.851 -18.707 1.00 34.12 H new ATOM 0 HG23 ILE A 11 -5.739 -7.801 -17.653 1.00 34.12 H new ATOM 0 HD11 ILE A 11 -7.017 -8.729 -13.638 1.00 35.35 H new ATOM 0 HD12 ILE A 11 -8.072 -9.688 -14.703 1.00 35.35 H new ATOM 0 HD13 ILE A 11 -6.334 -9.551 -15.061 1.00 35.35 H new ATOM 191 N LEU A 12 -9.805 -7.483 -19.509 1.00 4.33 N ATOM 192 CA LEU A 12 -10.163 -7.817 -20.883 1.00 32.33 C ATOM 193 C LEU A 12 -10.935 -6.676 -21.537 1.00 61.14 C ATOM 194 O LEU A 12 -11.094 -6.640 -22.757 1.00 2.22 O ATOM 195 CB LEU A 12 -10.999 -9.098 -20.915 1.00 11.00 C ATOM 196 CG LEU A 12 -10.216 -10.409 -21.002 1.00 52.50 C ATOM 197 CD1 LEU A 12 -11.136 -11.596 -20.765 1.00 62.42 C ATOM 198 CD2 LEU A 12 -9.525 -10.528 -22.352 1.00 44.02 C ATOM 0 H LEU A 12 -10.589 -7.484 -18.857 1.00 4.33 H new ATOM 0 HA LEU A 12 -9.242 -7.977 -21.444 1.00 32.33 H new ATOM 0 HB2 LEU A 12 -11.618 -9.127 -20.018 1.00 11.00 H new ATOM 0 HB3 LEU A 12 -11.676 -9.045 -21.768 1.00 11.00 H new ATOM 0 HG LEU A 12 -9.452 -10.407 -20.224 1.00 52.50 H new ATOM 0 HD11 LEU A 12 -10.562 -12.520 -20.831 1.00 62.42 H new ATOM 0 HD12 LEU A 12 -11.584 -11.517 -19.775 1.00 62.42 H new ATOM 0 HD13 LEU A 12 -11.922 -11.603 -21.520 1.00 62.42 H new ATOM 0 HD21 LEU A 12 -8.973 -11.467 -22.397 1.00 44.02 H new ATOM 0 HD22 LEU A 12 -10.272 -10.508 -23.146 1.00 44.02 H new ATOM 0 HD23 LEU A 12 -8.835 -9.694 -22.482 1.00 44.02 H new ATOM 210 N GLY A 13 -11.411 -5.744 -20.718 1.00 13.42 N ATOM 211 CA GLY A 13 -12.159 -4.613 -21.236 1.00 3.44 C ATOM 212 C GLY A 13 -13.592 -4.971 -21.576 1.00 24.32 C ATOM 213 O GLY A 13 -14.228 -4.308 -22.395 1.00 63.21 O ATOM 0 H GLY A 13 -11.292 -5.752 -19.705 1.00 13.42 H new ATOM 0 HA2 GLY A 13 -12.154 -3.810 -20.499 1.00 3.44 H new ATOM 0 HA3 GLY A 13 -11.662 -4.231 -22.128 1.00 3.44 H new ATOM 217 N VAL A 14 -14.102 -6.025 -20.946 1.00 64.35 N ATOM 218 CA VAL A 14 -15.468 -6.472 -21.187 1.00 55.13 C ATOM 219 C VAL A 14 -16.353 -6.214 -19.973 1.00 0.03 C ATOM 220 O VAL A 14 -15.890 -6.178 -18.833 1.00 23.44 O ATOM 221 CB VAL A 14 -15.516 -7.972 -21.534 1.00 0.11 C ATOM 222 CG1 VAL A 14 -14.627 -8.272 -22.732 1.00 15.24 C ATOM 223 CG2 VAL A 14 -15.105 -8.809 -20.332 1.00 74.31 C ATOM 0 H VAL A 14 -13.589 -6.585 -20.265 1.00 64.35 H new ATOM 0 HA VAL A 14 -15.843 -5.899 -22.035 1.00 55.13 H new ATOM 0 HB VAL A 14 -16.541 -8.234 -21.798 1.00 0.11 H new ATOM 0 HG11 VAL A 14 -14.674 -9.336 -22.962 1.00 15.24 H new ATOM 0 HG12 VAL A 14 -14.971 -7.699 -23.593 1.00 15.24 H new ATOM 0 HG13 VAL A 14 -13.598 -7.996 -22.500 1.00 15.24 H new ATOM 0 HG21 VAL A 14 -15.144 -9.866 -20.594 1.00 74.31 H new ATOM 0 HG22 VAL A 14 -14.089 -8.546 -20.036 1.00 74.31 H new ATOM 0 HG23 VAL A 14 -15.786 -8.615 -19.504 1.00 74.31 H new ATOM 233 N PRO A 15 -17.658 -6.030 -20.220 1.00 14.32 N ATOM 234 CA PRO A 15 -18.636 -5.773 -19.159 1.00 14.35 C ATOM 235 C PRO A 15 -18.875 -6.997 -18.281 1.00 40.13 C ATOM 236 O PRO A 15 -18.345 -8.076 -18.548 1.00 15.12 O ATOM 237 CB PRO A 15 -19.909 -5.411 -19.929 1.00 3.43 C ATOM 238 CG PRO A 15 -19.753 -6.077 -21.252 1.00 31.10 C ATOM 239 CD PRO A 15 -18.280 -6.059 -21.554 1.00 52.43 C ATOM 0 HA PRO A 15 -18.299 -4.994 -18.475 1.00 14.35 H new ATOM 0 HB2 PRO A 15 -20.800 -5.765 -19.410 1.00 3.43 H new ATOM 0 HB3 PRO A 15 -20.012 -4.331 -20.039 1.00 3.43 H new ATOM 0 HG2 PRO A 15 -20.133 -7.098 -21.222 1.00 31.10 H new ATOM 0 HG3 PRO A 15 -20.316 -5.550 -22.023 1.00 31.10 H new ATOM 0 HD2 PRO A 15 -17.975 -6.939 -22.120 1.00 52.43 H new ATOM 0 HD3 PRO A 15 -18.002 -5.187 -22.146 1.00 52.43 H new ATOM 247 N ARG A 16 -19.675 -6.822 -17.235 1.00 33.23 N ATOM 248 CA ARG A 16 -19.983 -7.913 -16.318 1.00 31.21 C ATOM 249 C ARG A 16 -21.041 -8.839 -16.910 1.00 75.04 C ATOM 250 O ARG A 16 -21.326 -9.903 -16.363 1.00 20.22 O ATOM 251 CB ARG A 16 -20.468 -7.359 -14.977 1.00 22.32 C ATOM 252 CG ARG A 16 -19.456 -6.458 -14.289 1.00 2.24 C ATOM 253 CD ARG A 16 -19.667 -4.998 -14.660 1.00 65.42 C ATOM 254 NE ARG A 16 -19.087 -4.093 -13.672 1.00 12.22 N ATOM 255 CZ ARG A 16 -17.786 -3.842 -13.578 1.00 50.04 C ATOM 256 NH1 ARG A 16 -16.934 -4.425 -14.410 1.00 23.54 N ATOM 257 NH2 ARG A 16 -17.335 -3.006 -12.652 1.00 52.52 N ATOM 0 H ARG A 16 -20.122 -5.935 -17.001 1.00 33.23 H new ATOM 0 HA ARG A 16 -19.071 -8.488 -16.158 1.00 31.21 H new ATOM 0 HB2 ARG A 16 -21.390 -6.800 -15.136 1.00 22.32 H new ATOM 0 HB3 ARG A 16 -20.710 -8.191 -14.316 1.00 22.32 H new ATOM 0 HG2 ARG A 16 -19.538 -6.575 -13.208 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -18.447 -6.763 -14.567 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -19.221 -4.804 -15.635 1.00 65.42 H new ATOM 0 HD3 ARG A 16 -20.735 -4.798 -14.752 1.00 65.42 H new ATOM 0 HE ARG A 16 -19.716 -3.628 -13.018 1.00 12.22 H new ATOM 0 HH11 ARG A 16 -17.277 -5.068 -15.124 1.00 23.54 H new ATOM 0 HH12 ARG A 16 -15.935 -4.231 -14.336 1.00 23.54 H new ATOM 0 HH21 ARG A 16 -17.988 -2.555 -12.011 1.00 52.52 H new ATOM 0 HH22 ARG A 16 -16.336 -2.814 -12.581 1.00 52.52 H new ATOM 271 N ASN A 17 -21.621 -8.425 -18.032 1.00 72.04 N ATOM 272 CA ASN A 17 -22.649 -9.217 -18.699 1.00 0.42 C ATOM 273 C ASN A 17 -22.159 -9.713 -20.055 1.00 63.35 C ATOM 274 O ASN A 17 -22.910 -10.329 -20.811 1.00 52.20 O ATOM 275 CB ASN A 17 -23.924 -8.390 -18.876 1.00 41.42 C ATOM 276 CG ASN A 17 -23.653 -7.038 -19.509 1.00 72.30 C ATOM 277 OD1 ASN A 17 -22.853 -6.924 -20.438 1.00 32.51 O ATOM 278 ND2 ASN A 17 -24.320 -6.006 -19.007 1.00 55.30 N ATOM 0 H ASN A 17 -21.397 -7.546 -18.498 1.00 72.04 H new ATOM 0 HA ASN A 17 -22.869 -10.082 -18.074 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -24.630 -8.943 -19.496 1.00 41.42 H new ATOM 0 HB3 ASN A 17 -24.398 -8.245 -17.905 1.00 41.42 H new ATOM 0 HD21 ASN A 17 -24.179 -5.072 -19.392 1.00 55.30 H new ATOM 0 HD22 ASN A 17 -24.973 -6.147 -18.237 1.00 55.30 H new ATOM 285 N ALA A 18 -20.893 -9.442 -20.357 1.00 12.31 N ATOM 286 CA ALA A 18 -20.302 -9.863 -21.621 1.00 25.04 C ATOM 287 C ALA A 18 -20.490 -11.360 -21.843 1.00 4.11 C ATOM 288 O ALA A 18 -20.726 -12.113 -20.898 1.00 5.41 O ATOM 289 CB ALA A 18 -18.823 -9.504 -21.657 1.00 55.32 C ATOM 0 H ALA A 18 -20.257 -8.933 -19.743 1.00 12.31 H new ATOM 0 HA ALA A 18 -20.813 -9.336 -22.427 1.00 25.04 H new ATOM 0 HB1 ALA A 18 -18.394 -9.824 -22.607 1.00 55.32 H new ATOM 0 HB2 ALA A 18 -18.708 -8.425 -21.552 1.00 55.32 H new ATOM 0 HB3 ALA A 18 -18.307 -10.005 -20.838 1.00 55.32 H new ATOM 295 N SER A 19 -20.384 -11.785 -23.098 1.00 15.01 N ATOM 296 CA SER A 19 -20.548 -13.192 -23.445 1.00 4.14 C ATOM 297 C SER A 19 -19.206 -13.821 -23.808 1.00 20.14 C ATOM 298 O SER A 19 -18.232 -13.118 -24.075 1.00 62.42 O ATOM 299 CB SER A 19 -21.526 -13.341 -24.611 1.00 72.41 C ATOM 300 OG SER A 19 -22.673 -12.531 -24.422 1.00 11.03 O ATOM 0 H SER A 19 -20.185 -11.175 -23.891 1.00 15.01 H new ATOM 0 HA SER A 19 -20.950 -13.711 -22.575 1.00 4.14 H new ATOM 0 HB2 SER A 19 -21.031 -13.065 -25.542 1.00 72.41 H new ATOM 0 HB3 SER A 19 -21.826 -14.385 -24.707 1.00 72.41 H new ATOM 0 HG SER A 19 -23.282 -12.643 -25.182 1.00 11.03 H new ATOM 306 N GLN A 20 -19.165 -15.150 -23.814 1.00 0.40 N ATOM 307 CA GLN A 20 -17.943 -15.874 -24.143 1.00 72.12 C ATOM 308 C GLN A 20 -17.465 -15.524 -25.548 1.00 44.03 C ATOM 309 O GLN A 20 -16.274 -15.607 -25.849 1.00 64.20 O ATOM 310 CB GLN A 20 -18.173 -17.382 -24.031 1.00 34.10 C ATOM 311 CG GLN A 20 -18.892 -17.795 -22.757 1.00 14.43 C ATOM 312 CD GLN A 20 -18.377 -17.064 -21.533 1.00 4.42 C ATOM 313 OE1 GLN A 20 -18.942 -16.052 -21.116 1.00 25.13 O ATOM 314 NE2 GLN A 20 -17.298 -17.573 -20.950 1.00 3.13 N ATOM 0 H GLN A 20 -19.963 -15.746 -23.595 1.00 0.40 H new ATOM 0 HA GLN A 20 -17.172 -15.577 -23.432 1.00 72.12 H new ATOM 0 HB2 GLN A 20 -18.753 -17.717 -24.891 1.00 34.10 H new ATOM 0 HB3 GLN A 20 -17.211 -17.892 -24.077 1.00 34.10 H new ATOM 0 HG2 GLN A 20 -19.959 -17.603 -22.868 1.00 14.43 H new ATOM 0 HG3 GLN A 20 -18.775 -18.869 -22.610 1.00 14.43 H new ATOM 0 HE21 GLN A 20 -16.862 -18.413 -21.329 1.00 3.13 H new ATOM 0 HE22 GLN A 20 -16.905 -17.124 -20.123 1.00 3.13 H new ATOM 323 N LYS A 21 -18.400 -15.132 -26.406 1.00 75.33 N ATOM 324 CA LYS A 21 -18.076 -14.768 -27.780 1.00 65.33 C ATOM 325 C LYS A 21 -17.480 -13.366 -27.845 1.00 42.42 C ATOM 326 O LYS A 21 -16.530 -13.119 -28.588 1.00 32.12 O ATOM 327 CB LYS A 21 -19.326 -14.844 -28.659 1.00 51.01 C ATOM 328 CG LYS A 21 -20.452 -13.937 -28.194 1.00 40.42 C ATOM 329 CD LYS A 21 -21.701 -14.120 -29.040 1.00 32.04 C ATOM 330 CE LYS A 21 -22.306 -15.502 -28.847 1.00 73.24 C ATOM 331 NZ LYS A 21 -23.673 -15.596 -29.432 1.00 3.40 N ATOM 0 H LYS A 21 -19.390 -15.058 -26.174 1.00 75.33 H new ATOM 0 HA LYS A 21 -17.335 -15.476 -28.152 1.00 65.33 H new ATOM 0 HB2 LYS A 21 -19.057 -14.580 -29.682 1.00 51.01 H new ATOM 0 HB3 LYS A 21 -19.684 -15.873 -28.679 1.00 51.01 H new ATOM 0 HG2 LYS A 21 -20.684 -14.149 -27.150 1.00 40.42 H new ATOM 0 HG3 LYS A 21 -20.127 -12.898 -28.243 1.00 40.42 H new ATOM 0 HD2 LYS A 21 -22.436 -13.360 -28.775 1.00 32.04 H new ATOM 0 HD3 LYS A 21 -21.455 -13.973 -30.092 1.00 32.04 H new ATOM 0 HE2 LYS A 21 -21.661 -16.249 -29.310 1.00 73.24 H new ATOM 0 HE3 LYS A 21 -22.350 -15.734 -27.783 1.00 73.24 H new ATOM 0 HZ1 LYS A 21 -24.051 -16.553 -29.280 1.00 3.40 H new ATOM 0 HZ2 LYS A 21 -24.296 -14.901 -28.973 1.00 3.40 H new ATOM 0 HZ3 LYS A 21 -23.628 -15.400 -30.452 1.00 3.40 H new ATOM 345 N GLU A 22 -18.043 -12.451 -27.062 1.00 34.32 N ATOM 346 CA GLU A 22 -17.566 -11.074 -27.031 1.00 52.31 C ATOM 347 C GLU A 22 -16.181 -10.992 -26.397 1.00 45.02 C ATOM 348 O GLU A 22 -15.344 -10.189 -26.811 1.00 1.44 O ATOM 349 CB GLU A 22 -18.546 -10.188 -26.258 1.00 22.30 C ATOM 350 CG GLU A 22 -18.114 -8.734 -26.172 1.00 54.14 C ATOM 351 CD GLU A 22 -19.281 -7.792 -25.948 1.00 51.42 C ATOM 352 OE1 GLU A 22 -19.938 -7.903 -24.892 1.00 12.21 O ATOM 353 OE2 GLU A 22 -19.537 -6.944 -26.828 1.00 53.24 O ATOM 0 H GLU A 22 -18.830 -12.639 -26.441 1.00 34.32 H new ATOM 0 HA GLU A 22 -17.498 -10.717 -28.059 1.00 52.31 H new ATOM 0 HB2 GLU A 22 -19.524 -10.240 -26.736 1.00 22.30 H new ATOM 0 HB3 GLU A 22 -18.663 -10.584 -25.249 1.00 22.30 H new ATOM 0 HG2 GLU A 22 -17.398 -8.619 -25.359 1.00 54.14 H new ATOM 0 HG3 GLU A 22 -17.599 -8.457 -27.092 1.00 54.14 H new ATOM 360 N ILE A 23 -15.946 -11.828 -25.391 1.00 73.15 N ATOM 361 CA ILE A 23 -14.663 -11.851 -24.701 1.00 21.01 C ATOM 362 C ILE A 23 -13.531 -12.215 -25.656 1.00 11.50 C ATOM 363 O ILE A 23 -12.403 -11.743 -25.508 1.00 72.50 O ATOM 364 CB ILE A 23 -14.672 -12.851 -23.529 1.00 42.43 C ATOM 365 CG1 ILE A 23 -15.741 -12.462 -22.507 1.00 13.35 C ATOM 366 CG2 ILE A 23 -13.300 -12.910 -22.873 1.00 54.12 C ATOM 367 CD1 ILE A 23 -16.320 -13.642 -21.759 1.00 73.40 C ATOM 0 H ILE A 23 -16.628 -12.498 -25.036 1.00 73.15 H new ATOM 0 HA ILE A 23 -14.497 -10.847 -24.311 1.00 21.01 H new ATOM 0 HB ILE A 23 -14.911 -13.841 -23.917 1.00 42.43 H new ATOM 0 HG12 ILE A 23 -15.309 -11.764 -21.790 1.00 13.35 H new ATOM 0 HG13 ILE A 23 -16.547 -11.936 -23.019 1.00 13.35 H new ATOM 0 HG21 ILE A 23 -13.322 -13.621 -22.047 1.00 54.12 H new ATOM 0 HG22 ILE A 23 -12.559 -13.229 -23.606 1.00 54.12 H new ATOM 0 HG23 ILE A 23 -13.035 -11.923 -22.495 1.00 54.12 H new ATOM 0 HD11 ILE A 23 -17.071 -13.291 -21.052 1.00 73.40 H new ATOM 0 HD12 ILE A 23 -16.782 -14.331 -22.467 1.00 73.40 H new ATOM 0 HD13 ILE A 23 -15.525 -14.156 -21.219 1.00 73.40 H new ATOM 379 N LYS A 24 -13.840 -13.055 -26.638 1.00 1.40 N ATOM 380 CA LYS A 24 -12.851 -13.480 -27.621 1.00 24.10 C ATOM 381 C LYS A 24 -12.337 -12.291 -28.426 1.00 4.54 C ATOM 382 O LYS A 24 -11.144 -12.192 -28.715 1.00 61.20 O ATOM 383 CB LYS A 24 -13.454 -14.524 -28.563 1.00 70.22 C ATOM 384 CG LYS A 24 -13.890 -15.798 -27.860 1.00 53.12 C ATOM 385 CD LYS A 24 -12.842 -16.890 -27.984 1.00 65.51 C ATOM 386 CE LYS A 24 -12.872 -17.539 -29.359 1.00 73.25 C ATOM 387 NZ LYS A 24 -13.837 -18.672 -29.417 1.00 54.20 N ATOM 0 H LYS A 24 -14.768 -13.455 -26.774 1.00 1.40 H new ATOM 0 HA LYS A 24 -12.012 -13.924 -27.086 1.00 24.10 H new ATOM 0 HB2 LYS A 24 -14.313 -14.088 -29.073 1.00 70.22 H new ATOM 0 HB3 LYS A 24 -12.722 -14.775 -29.330 1.00 70.22 H new ATOM 0 HG2 LYS A 24 -14.075 -15.588 -26.807 1.00 53.12 H new ATOM 0 HG3 LYS A 24 -14.831 -16.146 -28.286 1.00 53.12 H new ATOM 0 HD2 LYS A 24 -11.853 -16.469 -27.801 1.00 65.51 H new ATOM 0 HD3 LYS A 24 -13.013 -17.648 -27.219 1.00 65.51 H new ATOM 0 HE2 LYS A 24 -13.142 -16.793 -30.107 1.00 73.25 H new ATOM 0 HE3 LYS A 24 -11.875 -17.898 -29.613 1.00 73.25 H new ATOM 0 HZ1 LYS A 24 -13.828 -19.087 -30.370 1.00 54.20 H new ATOM 0 HZ2 LYS A 24 -13.565 -19.396 -28.721 1.00 54.20 H new ATOM 0 HZ3 LYS A 24 -14.793 -18.325 -29.200 1.00 54.20 H new ATOM 401 N LYS A 25 -13.243 -11.388 -28.783 1.00 55.33 N ATOM 402 CA LYS A 25 -12.882 -10.203 -29.552 1.00 53.31 C ATOM 403 C LYS A 25 -12.022 -9.256 -28.721 1.00 21.30 C ATOM 404 O LYS A 25 -10.982 -8.783 -29.179 1.00 74.44 O ATOM 405 CB LYS A 25 -14.142 -9.477 -30.031 1.00 5.43 C ATOM 406 CG LYS A 25 -14.959 -10.273 -31.033 1.00 41.11 C ATOM 407 CD LYS A 25 -16.415 -9.840 -31.035 1.00 12.52 C ATOM 408 CE LYS A 25 -17.250 -10.695 -31.975 1.00 52.14 C ATOM 409 NZ LYS A 25 -17.271 -10.141 -33.357 1.00 53.25 N ATOM 0 H LYS A 25 -14.234 -11.454 -28.552 1.00 55.33 H new ATOM 0 HA LYS A 25 -12.304 -10.525 -30.418 1.00 53.31 H new ATOM 0 HB2 LYS A 25 -14.767 -9.244 -29.169 1.00 5.43 H new ATOM 0 HB3 LYS A 25 -13.855 -8.527 -30.482 1.00 5.43 H new ATOM 0 HG2 LYS A 25 -14.539 -10.144 -32.030 1.00 41.11 H new ATOM 0 HG3 LYS A 25 -14.895 -11.335 -30.795 1.00 41.11 H new ATOM 0 HD2 LYS A 25 -16.818 -9.909 -30.024 1.00 12.52 H new ATOM 0 HD3 LYS A 25 -16.484 -8.794 -31.335 1.00 12.52 H new ATOM 0 HE2 LYS A 25 -16.850 -11.709 -31.996 1.00 52.14 H new ATOM 0 HE3 LYS A 25 -18.269 -10.763 -31.595 1.00 52.14 H new ATOM 0 HZ1 LYS A 25 -17.850 -10.752 -33.967 1.00 53.25 H new ATOM 0 HZ2 LYS A 25 -17.676 -9.183 -33.341 1.00 53.25 H new ATOM 0 HZ3 LYS A 25 -16.301 -10.100 -33.729 1.00 53.25 H new ATOM 423 N ALA A 26 -12.462 -8.986 -27.496 1.00 44.44 N ATOM 424 CA ALA A 26 -11.730 -8.099 -26.601 1.00 4.14 C ATOM 425 C ALA A 26 -10.370 -8.685 -26.238 1.00 24.52 C ATOM 426 O ALA A 26 -9.409 -7.952 -26.002 1.00 13.02 O ATOM 427 CB ALA A 26 -12.543 -7.830 -25.343 1.00 70.21 C ATOM 0 H ALA A 26 -13.321 -9.369 -27.101 1.00 44.44 H new ATOM 0 HA ALA A 26 -11.563 -7.156 -27.122 1.00 4.14 H new ATOM 0 HB1 ALA A 26 -11.984 -7.166 -24.684 1.00 70.21 H new ATOM 0 HB2 ALA A 26 -13.488 -7.360 -25.614 1.00 70.21 H new ATOM 0 HB3 ALA A 26 -12.740 -8.771 -24.829 1.00 70.21 H new ATOM 433 N TYR A 27 -10.295 -10.011 -26.194 1.00 40.04 N ATOM 434 CA TYR A 27 -9.053 -10.696 -25.857 1.00 42.10 C ATOM 435 C TYR A 27 -8.049 -10.599 -27.002 1.00 2.44 C ATOM 436 O TYR A 27 -6.842 -10.507 -26.778 1.00 4.54 O ATOM 437 CB TYR A 27 -9.328 -12.164 -25.529 1.00 74.30 C ATOM 438 CG TYR A 27 -8.076 -13.001 -25.398 1.00 42.11 C ATOM 439 CD1 TYR A 27 -7.021 -12.587 -24.594 1.00 31.31 C ATOM 440 CD2 TYR A 27 -7.948 -14.206 -26.078 1.00 44.12 C ATOM 441 CE1 TYR A 27 -5.875 -13.348 -24.472 1.00 64.22 C ATOM 442 CE2 TYR A 27 -6.805 -14.974 -25.961 1.00 73.12 C ATOM 443 CZ TYR A 27 -5.771 -14.541 -25.157 1.00 55.25 C ATOM 444 OH TYR A 27 -4.632 -15.302 -25.038 1.00 24.44 O ATOM 0 H TYR A 27 -11.080 -10.633 -26.388 1.00 40.04 H new ATOM 0 HA TYR A 27 -8.626 -10.209 -24.981 1.00 42.10 H new ATOM 0 HB2 TYR A 27 -9.891 -12.220 -24.597 1.00 74.30 H new ATOM 0 HB3 TYR A 27 -9.959 -12.590 -26.309 1.00 74.30 H new ATOM 0 HD1 TYR A 27 -7.099 -11.654 -24.055 1.00 31.31 H new ATOM 0 HD2 TYR A 27 -8.755 -14.548 -26.709 1.00 44.12 H new ATOM 0 HE1 TYR A 27 -5.064 -13.011 -23.843 1.00 64.22 H new ATOM 0 HE2 TYR A 27 -6.722 -15.908 -26.496 1.00 73.12 H new ATOM 0 HH TYR A 27 -4.721 -16.111 -25.584 1.00 24.44 H new ATOM 454 N TYR A 28 -8.557 -10.619 -28.229 1.00 31.23 N ATOM 455 CA TYR A 28 -7.706 -10.535 -29.410 1.00 33.21 C ATOM 456 C TYR A 28 -7.191 -9.113 -29.610 1.00 24.42 C ATOM 457 O TYR A 28 -5.999 -8.900 -29.831 1.00 50.23 O ATOM 458 CB TYR A 28 -8.475 -10.990 -30.651 1.00 73.04 C ATOM 459 CG TYR A 28 -7.688 -10.853 -31.935 1.00 71.21 C ATOM 460 CD1 TYR A 28 -8.154 -10.062 -32.978 1.00 70.41 C ATOM 461 CD2 TYR A 28 -6.478 -11.514 -32.104 1.00 64.14 C ATOM 462 CE1 TYR A 28 -7.438 -9.935 -34.153 1.00 34.32 C ATOM 463 CE2 TYR A 28 -5.754 -11.392 -33.275 1.00 55.41 C ATOM 464 CZ TYR A 28 -6.239 -10.602 -34.296 1.00 53.55 C ATOM 465 OH TYR A 28 -5.523 -10.476 -35.465 1.00 23.34 O ATOM 0 H TYR A 28 -9.554 -10.693 -28.432 1.00 31.23 H new ATOM 0 HA TYR A 28 -6.851 -11.194 -29.259 1.00 33.21 H new ATOM 0 HB2 TYR A 28 -8.769 -12.032 -30.524 1.00 73.04 H new ATOM 0 HB3 TYR A 28 -9.393 -10.408 -30.733 1.00 73.04 H new ATOM 0 HD1 TYR A 28 -9.092 -9.538 -32.868 1.00 70.41 H new ATOM 0 HD2 TYR A 28 -6.096 -12.134 -31.306 1.00 64.14 H new ATOM 0 HE1 TYR A 28 -7.815 -9.317 -34.955 1.00 34.32 H new ATOM 0 HE2 TYR A 28 -4.814 -11.912 -33.390 1.00 55.41 H new ATOM 0 HH TYR A 28 -4.702 -11.008 -35.405 1.00 23.34 H new ATOM 475 N GLN A 29 -8.098 -8.145 -29.529 1.00 64.22 N ATOM 476 CA GLN A 29 -7.735 -6.743 -29.701 1.00 71.42 C ATOM 477 C GLN A 29 -6.707 -6.315 -28.659 1.00 62.24 C ATOM 478 O GLN A 29 -5.828 -5.498 -28.938 1.00 54.21 O ATOM 479 CB GLN A 29 -8.978 -5.857 -29.602 1.00 72.52 C ATOM 480 CG GLN A 29 -9.483 -5.674 -28.180 1.00 4.30 C ATOM 481 CD GLN A 29 -10.660 -4.722 -28.097 1.00 22.14 C ATOM 482 OE1 GLN A 29 -11.279 -4.392 -29.109 1.00 1.05 O ATOM 483 NE2 GLN A 29 -10.976 -4.275 -26.887 1.00 24.23 N ATOM 0 H GLN A 29 -9.088 -8.305 -29.346 1.00 64.22 H new ATOM 0 HA GLN A 29 -7.292 -6.627 -30.690 1.00 71.42 H new ATOM 0 HB2 GLN A 29 -8.752 -4.879 -30.027 1.00 72.52 H new ATOM 0 HB3 GLN A 29 -9.773 -6.292 -30.208 1.00 72.52 H new ATOM 0 HG2 GLN A 29 -9.775 -6.643 -27.775 1.00 4.30 H new ATOM 0 HG3 GLN A 29 -8.672 -5.298 -27.556 1.00 4.30 H new ATOM 0 HE21 GLN A 29 -10.436 -4.575 -26.075 1.00 24.23 H new ATOM 0 HE22 GLN A 29 -11.759 -3.632 -26.769 1.00 24.23 H new ATOM 492 N LEU A 30 -6.822 -6.872 -27.459 1.00 3.54 N ATOM 493 CA LEU A 30 -5.902 -6.547 -26.374 1.00 22.11 C ATOM 494 C LEU A 30 -4.532 -7.174 -26.615 1.00 54.15 C ATOM 495 O LEU A 30 -3.501 -6.545 -26.381 1.00 41.02 O ATOM 496 CB LEU A 30 -6.468 -7.030 -25.037 1.00 43.03 C ATOM 497 CG LEU A 30 -6.909 -5.938 -24.062 1.00 21.44 C ATOM 498 CD1 LEU A 30 -7.817 -4.936 -24.757 1.00 42.00 C ATOM 499 CD2 LEU A 30 -7.610 -6.551 -22.858 1.00 14.30 C ATOM 0 H LEU A 30 -7.543 -7.550 -27.212 1.00 3.54 H new ATOM 0 HA LEU A 30 -5.785 -5.464 -26.342 1.00 22.11 H new ATOM 0 HB2 LEU A 30 -7.323 -7.676 -25.239 1.00 43.03 H new ATOM 0 HB3 LEU A 30 -5.713 -7.644 -24.546 1.00 43.03 H new ATOM 0 HG LEU A 30 -6.022 -5.410 -23.712 1.00 21.44 H new ATOM 0 HD11 LEU A 30 -8.121 -4.167 -24.047 1.00 42.00 H new ATOM 0 HD12 LEU A 30 -7.281 -4.474 -25.586 1.00 42.00 H new ATOM 0 HD13 LEU A 30 -8.701 -5.448 -25.137 1.00 42.00 H new ATOM 0 HD21 LEU A 30 -7.917 -5.760 -22.174 1.00 14.30 H new ATOM 0 HD22 LEU A 30 -8.488 -7.104 -23.191 1.00 14.30 H new ATOM 0 HD23 LEU A 30 -6.927 -7.229 -22.345 1.00 14.30 H new ATOM 511 N ALA A 31 -4.531 -8.416 -27.087 1.00 61.34 N ATOM 512 CA ALA A 31 -3.289 -9.127 -27.365 1.00 3.50 C ATOM 513 C ALA A 31 -2.426 -8.356 -28.359 1.00 73.32 C ATOM 514 O ALA A 31 -1.211 -8.253 -28.193 1.00 63.25 O ATOM 515 CB ALA A 31 -3.585 -10.523 -27.892 1.00 14.24 C ATOM 0 H ALA A 31 -5.377 -8.951 -27.285 1.00 61.34 H new ATOM 0 HA ALA A 31 -2.733 -9.214 -26.432 1.00 3.50 H new ATOM 0 HB1 ALA A 31 -2.648 -11.042 -28.095 1.00 14.24 H new ATOM 0 HB2 ALA A 31 -4.154 -11.080 -27.148 1.00 14.24 H new ATOM 0 HB3 ALA A 31 -4.165 -10.449 -28.812 1.00 14.24 H new ATOM 521 N LYS A 32 -3.063 -7.817 -29.394 1.00 4.05 N ATOM 522 CA LYS A 32 -2.354 -7.055 -30.415 1.00 74.24 C ATOM 523 C LYS A 32 -1.619 -5.870 -29.798 1.00 52.44 C ATOM 524 O LYS A 32 -0.662 -5.351 -30.374 1.00 73.20 O ATOM 525 CB LYS A 32 -3.334 -6.562 -31.483 1.00 65.12 C ATOM 526 CG LYS A 32 -3.841 -7.663 -32.398 1.00 32.21 C ATOM 527 CD LYS A 32 -5.278 -7.415 -32.825 1.00 72.01 C ATOM 528 CE LYS A 32 -5.415 -6.106 -33.588 1.00 64.54 C ATOM 529 NZ LYS A 32 -4.472 -6.034 -34.739 1.00 24.44 N ATOM 0 H LYS A 32 -4.068 -7.894 -29.547 1.00 4.05 H new ATOM 0 HA LYS A 32 -1.619 -7.712 -30.880 1.00 74.24 H new ATOM 0 HB2 LYS A 32 -4.184 -6.088 -30.993 1.00 65.12 H new ATOM 0 HB3 LYS A 32 -2.846 -5.796 -32.086 1.00 65.12 H new ATOM 0 HG2 LYS A 32 -3.204 -7.726 -33.280 1.00 32.21 H new ATOM 0 HG3 LYS A 32 -3.773 -8.623 -31.886 1.00 32.21 H new ATOM 0 HD2 LYS A 32 -5.620 -8.239 -33.451 1.00 72.01 H new ATOM 0 HD3 LYS A 32 -5.922 -7.394 -31.945 1.00 72.01 H new ATOM 0 HE2 LYS A 32 -6.438 -6.002 -33.949 1.00 64.54 H new ATOM 0 HE3 LYS A 32 -5.229 -5.271 -32.913 1.00 64.54 H new ATOM 0 HZ1 LYS A 32 -4.928 -5.538 -35.531 1.00 24.44 H new ATOM 0 HZ2 LYS A 32 -3.615 -5.518 -34.454 1.00 24.44 H new ATOM 0 HZ3 LYS A 32 -4.213 -6.996 -35.037 1.00 24.44 H new ATOM 543 N LYS A 33 -2.071 -5.445 -28.623 1.00 74.52 N ATOM 544 CA LYS A 33 -1.455 -4.323 -27.926 1.00 14.12 C ATOM 545 C LYS A 33 -0.135 -4.739 -27.285 1.00 40.43 C ATOM 546 O LYS A 33 0.817 -3.959 -27.240 1.00 14.45 O ATOM 547 CB LYS A 33 -2.404 -3.778 -26.856 1.00 32.02 C ATOM 548 CG LYS A 33 -3.808 -3.508 -27.368 1.00 52.24 C ATOM 549 CD LYS A 33 -4.647 -2.772 -26.336 1.00 63.35 C ATOM 550 CE LYS A 33 -5.175 -1.455 -26.884 1.00 32.31 C ATOM 551 NZ LYS A 33 -6.105 -1.663 -28.029 1.00 24.44 N ATOM 0 H LYS A 33 -2.863 -5.862 -28.133 1.00 74.52 H new ATOM 0 HA LYS A 33 -1.253 -3.540 -28.657 1.00 14.12 H new ATOM 0 HB2 LYS A 33 -2.457 -4.491 -26.033 1.00 32.02 H new ATOM 0 HB3 LYS A 33 -1.990 -2.854 -26.452 1.00 32.02 H new ATOM 0 HG2 LYS A 33 -3.755 -2.918 -28.283 1.00 52.24 H new ATOM 0 HG3 LYS A 33 -4.290 -4.451 -27.624 1.00 52.24 H new ATOM 0 HD2 LYS A 33 -5.483 -3.401 -26.029 1.00 63.35 H new ATOM 0 HD3 LYS A 33 -4.047 -2.583 -25.446 1.00 63.35 H new ATOM 0 HE2 LYS A 33 -5.691 -0.913 -26.091 1.00 32.31 H new ATOM 0 HE3 LYS A 33 -4.339 -0.833 -27.204 1.00 32.31 H new ATOM 0 HZ1 LYS A 33 -6.670 -0.803 -28.178 1.00 24.44 H new ATOM 0 HZ2 LYS A 33 -5.557 -1.870 -28.888 1.00 24.44 H new ATOM 0 HZ3 LYS A 33 -6.738 -2.462 -27.821 1.00 24.44 H new ATOM 565 N TYR A 34 -0.084 -5.971 -26.793 1.00 63.55 N ATOM 566 CA TYR A 34 1.120 -6.490 -26.155 1.00 21.11 C ATOM 567 C TYR A 34 1.727 -7.624 -26.976 1.00 10.12 C ATOM 568 O TYR A 34 2.422 -8.489 -26.443 1.00 22.24 O ATOM 569 CB TYR A 34 0.802 -6.982 -24.742 1.00 74.41 C ATOM 570 CG TYR A 34 0.102 -5.952 -23.885 1.00 51.21 C ATOM 571 CD1 TYR A 34 0.812 -5.181 -22.973 1.00 50.40 C ATOM 572 CD2 TYR A 34 -1.269 -5.750 -23.987 1.00 1.24 C ATOM 573 CE1 TYR A 34 0.177 -4.238 -22.187 1.00 70.23 C ATOM 574 CE2 TYR A 34 -1.912 -4.809 -23.206 1.00 41.32 C ATOM 575 CZ TYR A 34 -1.185 -4.056 -22.308 1.00 1.41 C ATOM 576 OH TYR A 34 -1.822 -3.118 -21.528 1.00 20.23 O ATOM 0 H TYR A 34 -0.862 -6.629 -26.824 1.00 63.55 H new ATOM 0 HA TYR A 34 1.847 -5.680 -26.096 1.00 21.11 H new ATOM 0 HB2 TYR A 34 0.177 -7.872 -24.809 1.00 74.41 H new ATOM 0 HB3 TYR A 34 1.729 -7.280 -24.253 1.00 74.41 H new ATOM 0 HD1 TYR A 34 1.879 -5.321 -22.877 1.00 50.40 H new ATOM 0 HD2 TYR A 34 -1.842 -6.338 -24.689 1.00 1.24 H new ATOM 0 HE1 TYR A 34 0.744 -3.647 -21.482 1.00 70.23 H new ATOM 0 HE2 TYR A 34 -2.978 -4.664 -23.298 1.00 41.32 H new ATOM 0 HH TYR A 34 -2.779 -3.115 -21.737 1.00 20.23 H new ATOM 586 N HIS A 35 1.459 -7.612 -28.278 1.00 2.11 N ATOM 587 CA HIS A 35 1.979 -8.638 -29.175 1.00 3.13 C ATOM 588 C HIS A 35 3.499 -8.732 -29.070 1.00 15.12 C ATOM 589 O HIS A 35 4.172 -7.809 -28.611 1.00 53.54 O ATOM 590 CB HIS A 35 1.574 -8.337 -30.618 1.00 12.11 C ATOM 591 CG HIS A 35 0.518 -9.258 -31.148 1.00 0.52 C ATOM 592 ND1 HIS A 35 -0.436 -9.849 -30.347 1.00 12.41 N ATOM 593 CD2 HIS A 35 0.268 -9.687 -32.407 1.00 43.51 C ATOM 594 CE1 HIS A 35 -1.226 -10.603 -31.090 1.00 51.22 C ATOM 595 NE2 HIS A 35 -0.820 -10.521 -32.345 1.00 32.45 N ATOM 0 H HIS A 35 0.885 -6.903 -28.735 1.00 2.11 H new ATOM 0 HA HIS A 35 1.552 -9.596 -28.878 1.00 3.13 H new ATOM 0 HB2 HIS A 35 1.213 -7.310 -30.679 1.00 12.11 H new ATOM 0 HB3 HIS A 35 2.456 -8.403 -31.256 1.00 12.11 H new ATOM 0 HD1 HIS A 35 -0.519 -9.724 -29.338 1.00 12.41 H new ATOM 0 HD2 HIS A 35 0.822 -9.422 -33.296 1.00 43.51 H new ATOM 0 HE1 HIS A 35 -2.061 -11.187 -30.733 1.00 51.22 H new ATOM 603 N PRO A 36 4.053 -9.874 -29.503 1.00 52.24 N ATOM 604 CA PRO A 36 5.498 -10.115 -29.468 1.00 62.41 C ATOM 605 C PRO A 36 6.255 -9.252 -30.472 1.00 31.40 C ATOM 606 O PRO A 36 7.463 -9.052 -30.346 1.00 40.21 O ATOM 607 CB PRO A 36 5.619 -11.596 -29.837 1.00 63.04 C ATOM 608 CG PRO A 36 4.394 -11.890 -30.633 1.00 3.53 C ATOM 609 CD PRO A 36 3.311 -11.017 -30.062 1.00 0.30 C ATOM 0 HA PRO A 36 5.929 -9.866 -28.498 1.00 62.41 H new ATOM 0 HB2 PRO A 36 6.523 -11.787 -30.416 1.00 63.04 H new ATOM 0 HB3 PRO A 36 5.672 -12.223 -28.947 1.00 63.04 H new ATOM 0 HG2 PRO A 36 4.554 -11.674 -31.689 1.00 3.53 H new ATOM 0 HG3 PRO A 36 4.125 -12.944 -30.561 1.00 3.53 H new ATOM 0 HD2 PRO A 36 2.604 -10.701 -30.829 1.00 0.30 H new ATOM 0 HD3 PRO A 36 2.738 -11.538 -29.295 1.00 0.30 H new ATOM 617 N ASP A 37 5.537 -8.744 -31.467 1.00 41.14 N ATOM 618 CA ASP A 37 6.141 -7.901 -32.492 1.00 51.45 C ATOM 619 C ASP A 37 6.672 -6.605 -31.887 1.00 24.33 C ATOM 620 O ASP A 37 7.561 -5.963 -32.447 1.00 63.35 O ATOM 621 CB ASP A 37 5.122 -7.585 -33.589 1.00 23.12 C ATOM 622 CG ASP A 37 5.760 -7.486 -34.961 1.00 1.14 C ATOM 623 OD1 ASP A 37 6.000 -6.351 -35.423 1.00 52.32 O ATOM 624 OD2 ASP A 37 6.020 -8.543 -35.571 1.00 64.42 O ATOM 0 H ASP A 37 4.536 -8.901 -31.586 1.00 41.14 H new ATOM 0 HA ASP A 37 6.977 -8.447 -32.929 1.00 51.45 H new ATOM 0 HB2 ASP A 37 4.356 -8.360 -33.603 1.00 23.12 H new ATOM 0 HB3 ASP A 37 4.621 -6.645 -33.356 1.00 23.12 H new ATOM 629 N THR A 38 6.121 -6.225 -30.738 1.00 65.20 N ATOM 630 CA THR A 38 6.538 -5.006 -30.057 1.00 51.22 C ATOM 631 C THR A 38 7.285 -5.324 -28.767 1.00 64.23 C ATOM 632 O THR A 38 7.625 -4.426 -27.998 1.00 35.32 O ATOM 633 CB THR A 38 5.332 -4.106 -29.729 1.00 52.54 C ATOM 634 OG1 THR A 38 4.606 -4.644 -28.618 1.00 43.24 O ATOM 635 CG2 THR A 38 4.408 -3.979 -30.932 1.00 23.35 C ATOM 0 H THR A 38 5.385 -6.744 -30.260 1.00 65.20 H new ATOM 0 HA THR A 38 7.204 -4.476 -30.738 1.00 51.22 H new ATOM 0 HB THR A 38 5.706 -3.115 -29.472 1.00 52.54 H new ATOM 0 HG1 THR A 38 4.530 -5.616 -28.717 1.00 43.24 H new ATOM 0 HG21 THR A 38 3.564 -3.339 -30.676 1.00 23.35 H new ATOM 0 HG22 THR A 38 4.956 -3.541 -31.767 1.00 23.35 H new ATOM 0 HG23 THR A 38 4.042 -4.966 -31.216 1.00 23.35 H new ATOM 643 N ASN A 39 7.540 -6.608 -28.538 1.00 33.33 N ATOM 644 CA ASN A 39 8.248 -7.045 -27.340 1.00 11.01 C ATOM 645 C ASN A 39 9.758 -6.992 -27.551 1.00 71.22 C ATOM 646 O ASN A 39 10.533 -7.094 -26.600 1.00 43.02 O ATOM 647 CB ASN A 39 7.824 -8.465 -26.961 1.00 30.42 C ATOM 648 CG ASN A 39 6.643 -8.482 -26.009 1.00 42.23 C ATOM 649 OD1 ASN A 39 6.636 -9.221 -25.025 1.00 14.34 O ATOM 650 ND2 ASN A 39 5.638 -7.665 -26.300 1.00 53.23 N ATOM 0 H ASN A 39 7.267 -7.364 -29.166 1.00 33.33 H new ATOM 0 HA ASN A 39 7.989 -6.367 -26.527 1.00 11.01 H new ATOM 0 HB2 ASN A 39 7.567 -9.018 -27.865 1.00 30.42 H new ATOM 0 HB3 ASN A 39 8.666 -8.982 -26.500 1.00 30.42 H new ATOM 0 HD21 ASN A 39 4.816 -7.632 -25.697 1.00 53.23 H new ATOM 0 HD22 ASN A 39 5.688 -7.070 -27.127 1.00 53.23 H new ATOM 657 N LYS A 40 10.169 -6.832 -28.804 1.00 42.14 N ATOM 658 CA LYS A 40 11.586 -6.763 -29.142 1.00 72.45 C ATOM 659 C LYS A 40 12.304 -5.738 -28.271 1.00 62.01 C ATOM 660 O LYS A 40 13.428 -5.968 -27.824 1.00 32.25 O ATOM 661 CB LYS A 40 11.762 -6.406 -30.620 1.00 11.50 C ATOM 662 CG LYS A 40 11.795 -7.614 -31.539 1.00 33.51 C ATOM 663 CD LYS A 40 10.474 -8.366 -31.519 1.00 41.23 C ATOM 664 CE LYS A 40 10.491 -9.496 -30.502 1.00 20.13 C ATOM 665 NZ LYS A 40 9.754 -10.694 -30.991 1.00 62.11 N ATOM 0 H LYS A 40 9.541 -6.748 -29.603 1.00 42.14 H new ATOM 0 HA LYS A 40 12.026 -7.743 -28.956 1.00 72.45 H new ATOM 0 HB2 LYS A 40 10.947 -5.750 -30.926 1.00 11.50 H new ATOM 0 HB3 LYS A 40 12.687 -5.843 -30.741 1.00 11.50 H new ATOM 0 HG2 LYS A 40 12.016 -7.292 -32.557 1.00 33.51 H new ATOM 0 HG3 LYS A 40 12.600 -8.283 -31.234 1.00 33.51 H new ATOM 0 HD2 LYS A 40 9.665 -7.675 -31.283 1.00 41.23 H new ATOM 0 HD3 LYS A 40 10.269 -8.770 -32.510 1.00 41.23 H new ATOM 0 HE2 LYS A 40 11.523 -9.770 -30.281 1.00 20.13 H new ATOM 0 HE3 LYS A 40 10.045 -9.151 -29.569 1.00 20.13 H new ATOM 0 HZ1 LYS A 40 10.009 -11.519 -30.411 1.00 62.11 H new ATOM 0 HZ2 LYS A 40 8.730 -10.524 -30.921 1.00 62.11 H new ATOM 0 HZ3 LYS A 40 10.008 -10.877 -31.983 1.00 62.11 H new ATOM 679 N ASP A 41 11.648 -4.608 -28.033 1.00 44.53 N ATOM 680 CA ASP A 41 12.224 -3.548 -27.213 1.00 13.10 C ATOM 681 C ASP A 41 11.367 -3.292 -25.977 1.00 52.42 C ATOM 682 O ASP A 41 11.470 -2.240 -25.346 1.00 15.33 O ATOM 683 CB ASP A 41 12.363 -2.261 -28.028 1.00 70.31 C ATOM 684 CG ASP A 41 13.639 -2.229 -28.846 1.00 21.41 C ATOM 685 OD1 ASP A 41 14.135 -3.315 -29.214 1.00 10.35 O ATOM 686 OD2 ASP A 41 14.143 -1.119 -29.118 1.00 34.04 O ATOM 0 H ASP A 41 10.717 -4.402 -28.396 1.00 44.53 H new ATOM 0 HA ASP A 41 13.213 -3.871 -26.888 1.00 13.10 H new ATOM 0 HB2 ASP A 41 11.506 -2.161 -28.694 1.00 70.31 H new ATOM 0 HB3 ASP A 41 12.345 -1.404 -27.355 1.00 70.31 H new ATOM 691 N ASP A 42 10.521 -4.259 -25.639 1.00 5.22 N ATOM 692 CA ASP A 42 9.646 -4.138 -24.479 1.00 22.14 C ATOM 693 C ASP A 42 9.570 -5.457 -23.716 1.00 72.21 C ATOM 694 O ASP A 42 8.634 -6.241 -23.875 1.00 13.10 O ATOM 695 CB ASP A 42 8.245 -3.704 -24.913 1.00 5.34 C ATOM 696 CG ASP A 42 7.556 -2.847 -23.869 1.00 52.24 C ATOM 697 OD1 ASP A 42 7.696 -3.149 -22.666 1.00 34.44 O ATOM 698 OD2 ASP A 42 6.877 -1.873 -24.257 1.00 10.05 O ATOM 0 H ASP A 42 10.423 -5.135 -26.152 1.00 5.22 H new ATOM 0 HA ASP A 42 10.064 -3.379 -23.817 1.00 22.14 H new ATOM 0 HB2 ASP A 42 8.313 -3.148 -25.848 1.00 5.34 H new ATOM 0 HB3 ASP A 42 7.639 -4.588 -25.111 1.00 5.34 H new ATOM 703 N PRO A 43 10.578 -5.710 -22.868 1.00 70.44 N ATOM 704 CA PRO A 43 10.648 -6.934 -22.065 1.00 21.51 C ATOM 705 C PRO A 43 9.588 -6.970 -20.969 1.00 62.23 C ATOM 706 O PRO A 43 9.412 -7.985 -20.294 1.00 54.34 O ATOM 707 CB PRO A 43 12.049 -6.876 -21.452 1.00 24.34 C ATOM 708 CG PRO A 43 12.391 -5.426 -21.423 1.00 35.41 C ATOM 709 CD PRO A 43 11.727 -4.821 -22.629 1.00 12.02 C ATOM 0 HA PRO A 43 10.467 -7.826 -22.665 1.00 21.51 H new ATOM 0 HB2 PRO A 43 12.061 -7.305 -20.450 1.00 24.34 H new ATOM 0 HB3 PRO A 43 12.766 -7.440 -22.049 1.00 24.34 H new ATOM 0 HG2 PRO A 43 12.034 -4.959 -20.505 1.00 35.41 H new ATOM 0 HG3 PRO A 43 13.470 -5.279 -21.457 1.00 35.41 H new ATOM 0 HD2 PRO A 43 11.409 -3.796 -22.441 1.00 12.02 H new ATOM 0 HD3 PRO A 43 12.399 -4.794 -23.487 1.00 12.02 H new ATOM 717 N LYS A 44 8.884 -5.857 -20.797 1.00 50.42 N ATOM 718 CA LYS A 44 7.839 -5.760 -19.785 1.00 24.24 C ATOM 719 C LYS A 44 6.472 -6.081 -20.381 1.00 25.04 C ATOM 720 O LYS A 44 5.548 -6.465 -19.665 1.00 54.32 O ATOM 721 CB LYS A 44 7.824 -4.358 -19.171 1.00 35.44 C ATOM 722 CG LYS A 44 8.550 -4.269 -17.840 1.00 22.02 C ATOM 723 CD LYS A 44 7.878 -5.124 -16.779 1.00 20.31 C ATOM 724 CE LYS A 44 8.485 -4.887 -15.405 1.00 23.13 C ATOM 725 NZ LYS A 44 7.854 -3.730 -14.712 1.00 23.15 N ATOM 0 H LYS A 44 9.018 -5.008 -21.346 1.00 50.42 H new ATOM 0 HA LYS A 44 8.055 -6.490 -19.004 1.00 24.24 H new ATOM 0 HB2 LYS A 44 8.280 -3.659 -19.872 1.00 35.44 H new ATOM 0 HB3 LYS A 44 6.790 -4.042 -19.033 1.00 35.44 H new ATOM 0 HG2 LYS A 44 9.584 -4.591 -17.966 1.00 22.02 H new ATOM 0 HG3 LYS A 44 8.577 -3.231 -17.508 1.00 22.02 H new ATOM 0 HD2 LYS A 44 6.812 -4.899 -16.751 1.00 20.31 H new ATOM 0 HD3 LYS A 44 7.975 -6.177 -17.044 1.00 20.31 H new ATOM 0 HE2 LYS A 44 8.367 -5.783 -14.796 1.00 23.13 H new ATOM 0 HE3 LYS A 44 9.556 -4.710 -15.507 1.00 23.13 H new ATOM 0 HZ1 LYS A 44 8.295 -3.601 -13.779 1.00 23.15 H new ATOM 0 HZ2 LYS A 44 7.989 -2.869 -15.280 1.00 23.15 H new ATOM 0 HZ3 LYS A 44 6.837 -3.910 -14.592 1.00 23.15 H new ATOM 739 N ALA A 45 6.353 -5.923 -21.695 1.00 1.43 N ATOM 740 CA ALA A 45 5.100 -6.199 -22.387 1.00 3.02 C ATOM 741 C ALA A 45 4.685 -7.655 -22.209 1.00 35.32 C ATOM 742 O ALA A 45 3.511 -7.954 -21.988 1.00 32.31 O ATOM 743 CB ALA A 45 5.228 -5.861 -23.865 1.00 23.52 C ATOM 0 H ALA A 45 7.109 -5.605 -22.302 1.00 1.43 H new ATOM 0 HA ALA A 45 4.325 -5.571 -21.948 1.00 3.02 H new ATOM 0 HB1 ALA A 45 4.285 -6.072 -24.369 1.00 23.52 H new ATOM 0 HB2 ALA A 45 5.471 -4.804 -23.977 1.00 23.52 H new ATOM 0 HB3 ALA A 45 6.020 -6.464 -24.309 1.00 23.52 H new ATOM 749 N LYS A 46 5.654 -8.559 -22.307 1.00 51.30 N ATOM 750 CA LYS A 46 5.390 -9.985 -22.156 1.00 55.35 C ATOM 751 C LYS A 46 4.736 -10.278 -20.810 1.00 10.33 C ATOM 752 O LYS A 46 3.931 -11.201 -20.688 1.00 44.34 O ATOM 753 CB LYS A 46 6.689 -10.782 -22.289 1.00 1.01 C ATOM 754 CG LYS A 46 7.618 -10.634 -21.096 1.00 73.01 C ATOM 755 CD LYS A 46 8.939 -11.348 -21.326 1.00 41.12 C ATOM 756 CE LYS A 46 9.759 -10.667 -22.412 1.00 34.21 C ATOM 757 NZ LYS A 46 11.220 -10.743 -22.133 1.00 54.44 N ATOM 0 H LYS A 46 6.631 -8.329 -22.491 1.00 51.30 H new ATOM 0 HA LYS A 46 4.703 -10.288 -22.947 1.00 55.35 H new ATOM 0 HB2 LYS A 46 6.447 -11.836 -22.422 1.00 1.01 H new ATOM 0 HB3 LYS A 46 7.213 -10.460 -23.189 1.00 1.01 H new ATOM 0 HG2 LYS A 46 7.803 -9.577 -20.907 1.00 73.01 H new ATOM 0 HG3 LYS A 46 7.136 -11.037 -20.206 1.00 73.01 H new ATOM 0 HD2 LYS A 46 9.509 -11.369 -20.397 1.00 41.12 H new ATOM 0 HD3 LYS A 46 8.750 -12.384 -21.607 1.00 41.12 H new ATOM 0 HE2 LYS A 46 9.548 -11.135 -23.374 1.00 34.21 H new ATOM 0 HE3 LYS A 46 9.458 -9.622 -22.493 1.00 34.21 H new ATOM 0 HZ1 LYS A 46 11.744 -10.268 -22.895 1.00 54.44 H new ATOM 0 HZ2 LYS A 46 11.425 -10.274 -21.228 1.00 54.44 H new ATOM 0 HZ3 LYS A 46 11.512 -11.740 -22.081 1.00 54.44 H new ATOM 771 N GLU A 47 5.087 -9.485 -19.802 1.00 14.12 N ATOM 772 CA GLU A 47 4.533 -9.660 -18.464 1.00 74.44 C ATOM 773 C GLU A 47 3.085 -9.181 -18.408 1.00 72.52 C ATOM 774 O GLU A 47 2.234 -9.812 -17.780 1.00 51.02 O ATOM 775 CB GLU A 47 5.373 -8.900 -17.436 1.00 61.23 C ATOM 776 CG GLU A 47 6.697 -9.573 -17.115 1.00 41.04 C ATOM 777 CD GLU A 47 6.519 -10.925 -16.453 1.00 30.13 C ATOM 778 OE1 GLU A 47 6.795 -11.950 -17.110 1.00 41.14 O ATOM 779 OE2 GLU A 47 6.103 -10.958 -15.275 1.00 44.23 O ATOM 0 H GLU A 47 5.752 -8.716 -19.886 1.00 14.12 H new ATOM 0 HA GLU A 47 4.556 -10.723 -18.226 1.00 74.44 H new ATOM 0 HB2 GLU A 47 5.567 -7.895 -17.810 1.00 61.23 H new ATOM 0 HB3 GLU A 47 4.797 -8.793 -16.517 1.00 61.23 H new ATOM 0 HG2 GLU A 47 7.270 -9.695 -18.034 1.00 41.04 H new ATOM 0 HG3 GLU A 47 7.280 -8.926 -16.460 1.00 41.04 H new ATOM 786 N LYS A 48 2.812 -8.061 -19.069 1.00 24.32 N ATOM 787 CA LYS A 48 1.469 -7.496 -19.096 1.00 74.11 C ATOM 788 C LYS A 48 0.527 -8.371 -19.917 1.00 51.03 C ATOM 789 O LYS A 48 -0.637 -8.554 -19.560 1.00 0.43 O ATOM 790 CB LYS A 48 1.500 -6.080 -19.675 1.00 4.33 C ATOM 791 CG LYS A 48 2.504 -5.166 -18.992 1.00 61.34 C ATOM 792 CD LYS A 48 2.221 -5.039 -17.505 1.00 21.31 C ATOM 793 CE LYS A 48 3.261 -4.173 -16.812 1.00 2.33 C ATOM 794 NZ LYS A 48 3.319 -4.439 -15.348 1.00 31.42 N ATOM 0 H LYS A 48 3.504 -7.526 -19.594 1.00 24.32 H new ATOM 0 HA LYS A 48 1.099 -7.455 -18.072 1.00 74.11 H new ATOM 0 HB2 LYS A 48 1.736 -6.136 -20.738 1.00 4.33 H new ATOM 0 HB3 LYS A 48 0.506 -5.641 -19.592 1.00 4.33 H new ATOM 0 HG2 LYS A 48 3.511 -5.556 -19.140 1.00 61.34 H new ATOM 0 HG3 LYS A 48 2.473 -4.180 -19.455 1.00 61.34 H new ATOM 0 HD2 LYS A 48 1.231 -4.608 -17.358 1.00 21.31 H new ATOM 0 HD3 LYS A 48 2.209 -6.029 -17.050 1.00 21.31 H new ATOM 0 HE2 LYS A 48 4.240 -4.358 -17.254 1.00 2.33 H new ATOM 0 HE3 LYS A 48 3.029 -3.122 -16.981 1.00 2.33 H new ATOM 0 HZ1 LYS A 48 4.040 -3.829 -14.913 1.00 31.42 H new ATOM 0 HZ2 LYS A 48 2.392 -4.238 -14.922 1.00 31.42 H new ATOM 0 HZ3 LYS A 48 3.566 -5.436 -15.186 1.00 31.42 H new ATOM 808 N PHE A 49 1.038 -8.911 -21.019 1.00 0.12 N ATOM 809 CA PHE A 49 0.242 -9.767 -21.890 1.00 64.55 C ATOM 810 C PHE A 49 -0.270 -10.989 -21.133 1.00 13.45 C ATOM 811 O PHE A 49 -1.353 -11.500 -21.418 1.00 30.04 O ATOM 812 CB PHE A 49 1.071 -10.213 -23.097 1.00 52.03 C ATOM 813 CG PHE A 49 0.407 -11.282 -23.918 1.00 5.10 C ATOM 814 CD1 PHE A 49 -0.407 -10.947 -24.988 1.00 23.21 C ATOM 815 CD2 PHE A 49 0.598 -12.621 -23.619 1.00 72.40 C ATOM 816 CE1 PHE A 49 -1.018 -11.928 -25.745 1.00 73.45 C ATOM 817 CE2 PHE A 49 -0.011 -13.607 -24.373 1.00 42.22 C ATOM 818 CZ PHE A 49 -0.821 -13.260 -25.437 1.00 2.11 C ATOM 0 H PHE A 49 1.999 -8.771 -21.329 1.00 0.12 H new ATOM 0 HA PHE A 49 -0.616 -9.191 -22.238 1.00 64.55 H new ATOM 0 HB2 PHE A 49 1.269 -9.349 -23.731 1.00 52.03 H new ATOM 0 HB3 PHE A 49 2.036 -10.580 -22.749 1.00 52.03 H new ATOM 0 HD1 PHE A 49 -0.566 -9.907 -25.233 1.00 23.21 H new ATOM 0 HD2 PHE A 49 1.230 -12.898 -22.788 1.00 72.40 H new ATOM 0 HE1 PHE A 49 -1.649 -11.654 -26.577 1.00 73.45 H new ATOM 0 HE2 PHE A 49 0.146 -14.648 -24.130 1.00 42.22 H new ATOM 0 HZ PHE A 49 -1.299 -14.028 -26.027 1.00 2.11 H new ATOM 828 N SER A 50 0.516 -11.451 -20.166 1.00 3.21 N ATOM 829 CA SER A 50 0.145 -12.614 -19.369 1.00 61.31 C ATOM 830 C SER A 50 -1.183 -12.383 -18.655 1.00 51.42 C ATOM 831 O SER A 50 -1.960 -13.315 -18.451 1.00 54.43 O ATOM 832 CB SER A 50 1.239 -12.929 -18.347 1.00 12.55 C ATOM 833 OG SER A 50 0.762 -13.810 -17.344 1.00 51.43 O ATOM 0 H SER A 50 1.414 -11.037 -19.916 1.00 3.21 H new ATOM 0 HA SER A 50 0.032 -13.463 -20.043 1.00 61.31 H new ATOM 0 HB2 SER A 50 2.095 -13.377 -18.852 1.00 12.55 H new ATOM 0 HB3 SER A 50 1.589 -12.005 -17.887 1.00 12.55 H new ATOM 0 HG SER A 50 1.480 -13.997 -16.704 1.00 51.43 H new ATOM 839 N GLN A 51 -1.435 -11.133 -18.278 1.00 61.21 N ATOM 840 CA GLN A 51 -2.668 -10.778 -17.586 1.00 74.52 C ATOM 841 C GLN A 51 -3.874 -10.941 -18.506 1.00 13.23 C ATOM 842 O GLN A 51 -4.990 -11.189 -18.046 1.00 41.31 O ATOM 843 CB GLN A 51 -2.594 -9.340 -17.072 1.00 50.32 C ATOM 844 CG GLN A 51 -1.586 -9.146 -15.951 1.00 41.51 C ATOM 845 CD GLN A 51 -1.895 -9.995 -14.734 1.00 74.03 C ATOM 846 OE1 GLN A 51 -1.021 -10.678 -14.201 1.00 4.02 O ATOM 847 NE2 GLN A 51 -3.145 -9.957 -14.288 1.00 35.20 N ATOM 0 H GLN A 51 -0.802 -10.350 -18.440 1.00 61.21 H new ATOM 0 HA GLN A 51 -2.787 -11.453 -16.738 1.00 74.52 H new ATOM 0 HB2 GLN A 51 -2.336 -8.680 -17.900 1.00 50.32 H new ATOM 0 HB3 GLN A 51 -3.580 -9.038 -16.719 1.00 50.32 H new ATOM 0 HG2 GLN A 51 -0.589 -9.392 -16.317 1.00 41.51 H new ATOM 0 HG3 GLN A 51 -1.569 -8.095 -15.661 1.00 41.51 H new ATOM 0 HE21 GLN A 51 -3.838 -9.377 -14.761 1.00 35.20 H new ATOM 0 HE22 GLN A 51 -3.413 -10.508 -13.473 1.00 35.20 H new ATOM 856 N LEU A 52 -3.644 -10.799 -19.806 1.00 64.12 N ATOM 857 CA LEU A 52 -4.712 -10.930 -20.791 1.00 45.24 C ATOM 858 C LEU A 52 -5.168 -12.380 -20.910 1.00 71.35 C ATOM 859 O LEU A 52 -6.361 -12.674 -20.834 1.00 64.21 O ATOM 860 CB LEU A 52 -4.241 -10.418 -22.154 1.00 3.22 C ATOM 861 CG LEU A 52 -3.653 -9.006 -22.174 1.00 22.40 C ATOM 862 CD1 LEU A 52 -2.884 -8.767 -23.464 1.00 50.31 C ATOM 863 CD2 LEU A 52 -4.753 -7.968 -22.006 1.00 25.25 C ATOM 0 H LEU A 52 -2.727 -10.593 -20.203 1.00 64.12 H new ATOM 0 HA LEU A 52 -5.557 -10.329 -20.456 1.00 45.24 H new ATOM 0 HB2 LEU A 52 -3.490 -11.108 -22.539 1.00 3.22 H new ATOM 0 HB3 LEU A 52 -5.085 -10.448 -22.843 1.00 3.22 H new ATOM 0 HG LEU A 52 -2.960 -8.909 -21.339 1.00 22.40 H new ATOM 0 HD11 LEU A 52 -2.473 -7.758 -23.461 1.00 50.31 H new ATOM 0 HD12 LEU A 52 -2.072 -9.490 -23.543 1.00 50.31 H new ATOM 0 HD13 LEU A 52 -3.556 -8.882 -24.315 1.00 50.31 H new ATOM 0 HD21 LEU A 52 -4.317 -6.969 -22.023 1.00 25.25 H new ATOM 0 HD22 LEU A 52 -5.471 -8.064 -22.820 1.00 25.25 H new ATOM 0 HD23 LEU A 52 -5.260 -8.126 -21.054 1.00 25.25 H new ATOM 875 N ALA A 53 -4.211 -13.283 -21.096 1.00 23.21 N ATOM 876 CA ALA A 53 -4.514 -14.703 -21.221 1.00 60.40 C ATOM 877 C ALA A 53 -4.992 -15.282 -19.894 1.00 14.44 C ATOM 878 O ALA A 53 -5.836 -16.177 -19.865 1.00 10.12 O ATOM 879 CB ALA A 53 -3.293 -15.462 -21.720 1.00 0.12 C ATOM 0 H ALA A 53 -3.219 -13.056 -21.163 1.00 23.21 H new ATOM 0 HA ALA A 53 -5.319 -14.814 -21.947 1.00 60.40 H new ATOM 0 HB1 ALA A 53 -3.534 -16.521 -21.808 1.00 0.12 H new ATOM 0 HB2 ALA A 53 -2.997 -15.075 -22.695 1.00 0.12 H new ATOM 0 HB3 ALA A 53 -2.472 -15.335 -21.014 1.00 0.12 H new ATOM 885 N GLU A 54 -4.447 -14.764 -18.797 1.00 74.10 N ATOM 886 CA GLU A 54 -4.819 -15.231 -17.467 1.00 23.44 C ATOM 887 C GLU A 54 -6.288 -14.940 -17.178 1.00 55.31 C ATOM 888 O GLU A 54 -7.036 -15.822 -16.757 1.00 52.22 O ATOM 889 CB GLU A 54 -3.938 -14.569 -16.405 1.00 30.10 C ATOM 890 CG GLU A 54 -2.553 -15.183 -16.294 1.00 23.34 C ATOM 891 CD GLU A 54 -2.555 -16.493 -15.530 1.00 31.24 C ATOM 892 OE1 GLU A 54 -2.509 -16.453 -14.282 1.00 62.35 O ATOM 893 OE2 GLU A 54 -2.604 -17.558 -16.180 1.00 24.42 O ATOM 0 H GLU A 54 -3.747 -14.022 -18.804 1.00 74.10 H new ATOM 0 HA GLU A 54 -4.668 -16.310 -17.434 1.00 23.44 H new ATOM 0 HB2 GLU A 54 -3.839 -13.509 -16.637 1.00 30.10 H new ATOM 0 HB3 GLU A 54 -4.436 -14.638 -15.438 1.00 30.10 H new ATOM 0 HG2 GLU A 54 -2.153 -15.351 -17.294 1.00 23.34 H new ATOM 0 HG3 GLU A 54 -1.886 -14.478 -15.798 1.00 23.34 H new ATOM 900 N ALA A 55 -6.695 -13.695 -17.407 1.00 62.33 N ATOM 901 CA ALA A 55 -8.074 -13.287 -17.174 1.00 14.13 C ATOM 902 C ALA A 55 -9.009 -13.888 -18.218 1.00 50.52 C ATOM 903 O ALA A 55 -10.149 -14.242 -17.915 1.00 44.12 O ATOM 904 CB ALA A 55 -8.183 -11.769 -17.176 1.00 30.22 C ATOM 0 H ALA A 55 -6.088 -12.952 -17.754 1.00 62.33 H new ATOM 0 HA ALA A 55 -8.377 -13.661 -16.196 1.00 14.13 H new ATOM 0 HB1 ALA A 55 -9.219 -11.478 -17.001 1.00 30.22 H new ATOM 0 HB2 ALA A 55 -7.552 -11.358 -16.388 1.00 30.22 H new ATOM 0 HB3 ALA A 55 -7.856 -11.382 -18.141 1.00 30.22 H new ATOM 910 N TYR A 56 -8.520 -13.999 -19.448 1.00 53.54 N ATOM 911 CA TYR A 56 -9.314 -14.554 -20.539 1.00 5.53 C ATOM 912 C TYR A 56 -9.581 -16.039 -20.316 1.00 51.04 C ATOM 913 O TYR A 56 -10.580 -16.578 -20.792 1.00 64.31 O ATOM 914 CB TYR A 56 -8.598 -14.347 -21.875 1.00 25.35 C ATOM 915 CG TYR A 56 -9.164 -15.182 -23.001 1.00 32.25 C ATOM 916 CD1 TYR A 56 -10.221 -14.717 -23.773 1.00 34.33 C ATOM 917 CD2 TYR A 56 -8.641 -16.436 -23.293 1.00 33.12 C ATOM 918 CE1 TYR A 56 -10.743 -15.477 -24.802 1.00 24.22 C ATOM 919 CE2 TYR A 56 -9.155 -17.202 -24.321 1.00 72.30 C ATOM 920 CZ TYR A 56 -10.206 -16.719 -25.072 1.00 51.23 C ATOM 921 OH TYR A 56 -10.722 -17.478 -26.097 1.00 65.35 O ATOM 0 H TYR A 56 -7.578 -13.712 -19.715 1.00 53.54 H new ATOM 0 HA TYR A 56 -10.270 -14.031 -20.563 1.00 5.53 H new ATOM 0 HB2 TYR A 56 -8.657 -13.294 -22.150 1.00 25.35 H new ATOM 0 HB3 TYR A 56 -7.542 -14.586 -21.752 1.00 25.35 H new ATOM 0 HD1 TYR A 56 -10.642 -13.744 -23.565 1.00 34.33 H new ATOM 0 HD2 TYR A 56 -7.819 -16.818 -22.706 1.00 33.12 H new ATOM 0 HE1 TYR A 56 -11.566 -15.101 -25.391 1.00 24.22 H new ATOM 0 HE2 TYR A 56 -8.736 -18.174 -24.536 1.00 72.30 H new ATOM 0 HH TYR A 56 -10.232 -18.324 -26.156 1.00 65.35 H new ATOM 931 N GLU A 57 -8.681 -16.693 -19.589 1.00 70.52 N ATOM 932 CA GLU A 57 -8.819 -18.117 -19.304 1.00 15.34 C ATOM 933 C GLU A 57 -10.100 -18.392 -18.520 1.00 63.32 C ATOM 934 O GLU A 57 -10.859 -19.303 -18.850 1.00 60.45 O ATOM 935 CB GLU A 57 -7.608 -18.622 -18.517 1.00 13.34 C ATOM 936 CG GLU A 57 -6.499 -19.175 -19.395 1.00 72.23 C ATOM 937 CD GLU A 57 -5.134 -19.075 -18.744 1.00 23.45 C ATOM 938 OE1 GLU A 57 -4.172 -18.682 -19.436 1.00 53.12 O ATOM 939 OE2 GLU A 57 -5.027 -19.391 -17.540 1.00 13.23 O ATOM 0 H GLU A 57 -7.849 -16.261 -19.187 1.00 70.52 H new ATOM 0 HA GLU A 57 -8.873 -18.649 -20.254 1.00 15.34 H new ATOM 0 HB2 GLU A 57 -7.210 -17.805 -17.915 1.00 13.34 H new ATOM 0 HB3 GLU A 57 -7.933 -19.399 -17.825 1.00 13.34 H new ATOM 0 HG2 GLU A 57 -6.711 -20.219 -19.627 1.00 72.23 H new ATOM 0 HG3 GLU A 57 -6.486 -18.634 -20.341 1.00 72.23 H new ATOM 946 N VAL A 58 -10.332 -17.599 -17.480 1.00 14.53 N ATOM 947 CA VAL A 58 -11.520 -17.756 -16.649 1.00 11.42 C ATOM 948 C VAL A 58 -12.762 -17.231 -17.361 1.00 31.33 C ATOM 949 O VAL A 58 -13.829 -17.845 -17.304 1.00 41.55 O ATOM 950 CB VAL A 58 -11.365 -17.022 -15.303 1.00 40.14 C ATOM 951 CG1 VAL A 58 -12.610 -17.203 -14.449 1.00 74.43 C ATOM 952 CG2 VAL A 58 -10.128 -17.515 -14.568 1.00 42.50 C ATOM 0 H VAL A 58 -9.713 -16.841 -17.192 1.00 14.53 H new ATOM 0 HA VAL A 58 -11.636 -18.823 -16.461 1.00 11.42 H new ATOM 0 HB VAL A 58 -11.242 -15.957 -15.501 1.00 40.14 H new ATOM 0 HG11 VAL A 58 -12.482 -16.678 -13.503 1.00 74.43 H new ATOM 0 HG12 VAL A 58 -13.474 -16.797 -14.975 1.00 74.43 H new ATOM 0 HG13 VAL A 58 -12.768 -18.264 -14.256 1.00 74.43 H new ATOM 0 HG21 VAL A 58 -10.033 -16.986 -13.619 1.00 42.50 H new ATOM 0 HG22 VAL A 58 -10.219 -18.585 -14.380 1.00 42.50 H new ATOM 0 HG23 VAL A 58 -9.244 -17.328 -15.177 1.00 42.50 H new ATOM 962 N LEU A 59 -12.617 -16.094 -18.031 1.00 1.40 N ATOM 963 CA LEU A 59 -13.727 -15.486 -18.756 1.00 13.41 C ATOM 964 C LEU A 59 -14.046 -16.272 -20.023 1.00 73.41 C ATOM 965 O LEU A 59 -15.049 -16.015 -20.690 1.00 25.02 O ATOM 966 CB LEU A 59 -13.396 -14.035 -19.112 1.00 74.21 C ATOM 967 CG LEU A 59 -14.004 -12.966 -18.204 1.00 54.41 C ATOM 968 CD1 LEU A 59 -13.702 -13.269 -16.745 1.00 21.30 C ATOM 969 CD2 LEU A 59 -13.485 -11.586 -18.583 1.00 25.44 C ATOM 0 H LEU A 59 -11.741 -15.574 -18.088 1.00 1.40 H new ATOM 0 HA LEU A 59 -14.604 -15.504 -18.109 1.00 13.41 H new ATOM 0 HB2 LEU A 59 -12.312 -13.918 -19.103 1.00 74.21 H new ATOM 0 HB3 LEU A 59 -13.728 -13.848 -20.133 1.00 74.21 H new ATOM 0 HG LEU A 59 -15.086 -12.975 -18.339 1.00 54.41 H new ATOM 0 HD11 LEU A 59 -14.143 -12.497 -16.114 1.00 21.30 H new ATOM 0 HD12 LEU A 59 -14.123 -14.239 -16.480 1.00 21.30 H new ATOM 0 HD13 LEU A 59 -12.623 -13.289 -16.593 1.00 21.30 H new ATOM 0 HD21 LEU A 59 -13.928 -10.838 -17.926 1.00 25.44 H new ATOM 0 HD22 LEU A 59 -12.400 -11.564 -18.478 1.00 25.44 H new ATOM 0 HD23 LEU A 59 -13.754 -11.367 -19.616 1.00 25.44 H new ATOM 981 N SER A 60 -13.188 -17.234 -20.348 1.00 50.23 N ATOM 982 CA SER A 60 -13.377 -18.058 -21.536 1.00 54.35 C ATOM 983 C SER A 60 -14.510 -19.059 -21.328 1.00 45.04 C ATOM 984 O SER A 60 -15.021 -19.642 -22.285 1.00 11.23 O ATOM 985 CB SER A 60 -12.084 -18.798 -21.881 1.00 44.12 C ATOM 986 OG SER A 60 -12.324 -19.838 -22.813 1.00 42.24 O ATOM 0 H SER A 60 -12.355 -17.462 -19.805 1.00 50.23 H new ATOM 0 HA SER A 60 -13.643 -17.402 -22.365 1.00 54.35 H new ATOM 0 HB2 SER A 60 -11.359 -18.096 -22.293 1.00 44.12 H new ATOM 0 HB3 SER A 60 -11.646 -19.213 -20.973 1.00 44.12 H new ATOM 0 HG SER A 60 -11.481 -20.294 -23.018 1.00 42.24 H new ATOM 992 N ASP A 61 -14.895 -19.253 -20.072 1.00 73.32 N ATOM 993 CA ASP A 61 -15.968 -20.183 -19.737 1.00 24.12 C ATOM 994 C ASP A 61 -16.914 -19.573 -18.708 1.00 2.24 C ATOM 995 O ASP A 61 -16.479 -19.073 -17.671 1.00 22.34 O ATOM 996 CB ASP A 61 -15.387 -21.493 -19.201 1.00 0.41 C ATOM 997 CG ASP A 61 -16.230 -22.696 -19.575 1.00 13.32 C ATOM 998 OD1 ASP A 61 -15.751 -23.835 -19.397 1.00 21.24 O ATOM 999 OD2 ASP A 61 -17.370 -22.498 -20.045 1.00 10.23 O ATOM 0 H ASP A 61 -14.481 -18.779 -19.269 1.00 73.32 H new ATOM 0 HA ASP A 61 -16.533 -20.390 -20.646 1.00 24.12 H new ATOM 0 HB2 ASP A 61 -14.377 -21.625 -19.590 1.00 0.41 H new ATOM 0 HB3 ASP A 61 -15.305 -21.434 -18.116 1.00 0.41 H new ATOM 1004 N GLU A 62 -18.209 -19.617 -19.003 1.00 13.52 N ATOM 1005 CA GLU A 62 -19.216 -19.066 -18.103 1.00 51.22 C ATOM 1006 C GLU A 62 -19.079 -19.660 -16.704 1.00 73.24 C ATOM 1007 O GLU A 62 -19.169 -18.949 -15.704 1.00 13.32 O ATOM 1008 CB GLU A 62 -20.620 -19.334 -18.648 1.00 75.12 C ATOM 1009 CG GLU A 62 -20.876 -20.795 -18.979 1.00 13.03 C ATOM 1010 CD GLU A 62 -22.199 -21.010 -19.689 1.00 1.53 C ATOM 1011 OE1 GLU A 62 -22.269 -20.738 -20.906 1.00 11.43 O ATOM 1012 OE2 GLU A 62 -23.163 -21.449 -19.028 1.00 51.31 O ATOM 0 H GLU A 62 -18.586 -20.028 -19.857 1.00 13.52 H new ATOM 0 HA GLU A 62 -19.059 -17.989 -18.038 1.00 51.22 H new ATOM 0 HB2 GLU A 62 -21.355 -19.002 -17.914 1.00 75.12 H new ATOM 0 HB3 GLU A 62 -20.773 -18.735 -19.546 1.00 75.12 H new ATOM 0 HG2 GLU A 62 -20.067 -21.169 -19.606 1.00 13.03 H new ATOM 0 HG3 GLU A 62 -20.862 -21.380 -18.059 1.00 13.03 H new ATOM 1019 N VAL A 63 -18.862 -20.970 -16.643 1.00 62.11 N ATOM 1020 CA VAL A 63 -18.712 -21.661 -15.368 1.00 61.41 C ATOM 1021 C VAL A 63 -17.519 -21.122 -14.587 1.00 50.52 C ATOM 1022 O VAL A 63 -17.632 -20.798 -13.405 1.00 3.33 O ATOM 1023 CB VAL A 63 -18.536 -23.178 -15.569 1.00 62.23 C ATOM 1024 CG1 VAL A 63 -18.574 -23.902 -14.232 1.00 71.42 C ATOM 1025 CG2 VAL A 63 -19.604 -23.718 -16.508 1.00 70.22 C ATOM 0 H VAL A 63 -18.786 -21.574 -17.462 1.00 62.11 H new ATOM 0 HA VAL A 63 -19.625 -21.480 -14.801 1.00 61.41 H new ATOM 0 HB VAL A 63 -17.561 -23.356 -16.023 1.00 62.23 H new ATOM 0 HG11 VAL A 63 -18.448 -24.972 -14.394 1.00 71.42 H new ATOM 0 HG12 VAL A 63 -17.769 -23.534 -13.596 1.00 71.42 H new ATOM 0 HG13 VAL A 63 -19.532 -23.719 -13.746 1.00 71.42 H new ATOM 0 HG21 VAL A 63 -19.465 -24.791 -16.639 1.00 70.22 H new ATOM 0 HG22 VAL A 63 -20.590 -23.529 -16.084 1.00 70.22 H new ATOM 0 HG23 VAL A 63 -19.523 -23.221 -17.475 1.00 70.22 H new ATOM 1035 N LYS A 64 -16.375 -21.026 -15.256 1.00 71.33 N ATOM 1036 CA LYS A 64 -15.160 -20.524 -14.627 1.00 4.21 C ATOM 1037 C LYS A 64 -15.331 -19.071 -14.196 1.00 43.53 C ATOM 1038 O LYS A 64 -14.967 -18.697 -13.081 1.00 42.11 O ATOM 1039 CB LYS A 64 -13.975 -20.646 -15.588 1.00 50.11 C ATOM 1040 CG LYS A 64 -13.492 -22.073 -15.781 1.00 35.25 C ATOM 1041 CD LYS A 64 -12.013 -22.120 -16.125 1.00 74.03 C ATOM 1042 CE LYS A 64 -11.152 -21.700 -14.944 1.00 52.42 C ATOM 1043 NZ LYS A 64 -9.752 -22.190 -15.076 1.00 34.31 N ATOM 0 H LYS A 64 -16.264 -21.290 -16.235 1.00 71.33 H new ATOM 0 HA LYS A 64 -14.964 -21.127 -13.740 1.00 4.21 H new ATOM 0 HB2 LYS A 64 -14.259 -20.234 -16.556 1.00 50.11 H new ATOM 0 HB3 LYS A 64 -13.150 -20.040 -15.213 1.00 50.11 H new ATOM 0 HG2 LYS A 64 -13.673 -22.645 -14.871 1.00 35.25 H new ATOM 0 HG3 LYS A 64 -14.067 -22.548 -16.576 1.00 35.25 H new ATOM 0 HD2 LYS A 64 -11.742 -23.130 -16.433 1.00 74.03 H new ATOM 0 HD3 LYS A 64 -11.815 -21.464 -16.973 1.00 74.03 H new ATOM 0 HE2 LYS A 64 -11.150 -20.613 -14.864 1.00 52.42 H new ATOM 0 HE3 LYS A 64 -11.587 -22.086 -14.022 1.00 52.42 H new ATOM 0 HZ1 LYS A 64 -9.198 -21.883 -14.251 1.00 34.31 H new ATOM 0 HZ2 LYS A 64 -9.751 -23.229 -15.126 1.00 34.31 H new ATOM 0 HZ3 LYS A 64 -9.328 -21.801 -15.942 1.00 34.31 H new ATOM 1057 N ARG A 65 -15.888 -18.256 -15.087 1.00 4.05 N ATOM 1058 CA ARG A 65 -16.107 -16.844 -14.798 1.00 10.13 C ATOM 1059 C ARG A 65 -17.041 -16.672 -13.604 1.00 13.14 C ATOM 1060 O ARG A 65 -16.754 -15.909 -12.681 1.00 24.21 O ATOM 1061 CB ARG A 65 -16.691 -16.136 -16.022 1.00 2.23 C ATOM 1062 CG ARG A 65 -17.050 -14.681 -15.770 1.00 13.43 C ATOM 1063 CD ARG A 65 -17.719 -14.054 -16.983 1.00 43.32 C ATOM 1064 NE ARG A 65 -18.973 -14.720 -17.322 1.00 72.14 N ATOM 1065 CZ ARG A 65 -19.582 -14.587 -18.495 1.00 53.03 C ATOM 1066 NH1 ARG A 65 -19.055 -13.816 -19.436 1.00 63.44 N ATOM 1067 NH2 ARG A 65 -20.722 -15.226 -18.729 1.00 4.11 N ATOM 0 H ARG A 65 -16.195 -18.550 -16.014 1.00 4.05 H new ATOM 0 HA ARG A 65 -15.144 -16.396 -14.552 1.00 10.13 H new ATOM 0 HB2 ARG A 65 -15.971 -16.188 -16.839 1.00 2.23 H new ATOM 0 HB3 ARG A 65 -17.583 -16.670 -16.349 1.00 2.23 H new ATOM 0 HG2 ARG A 65 -17.716 -14.613 -14.910 1.00 13.43 H new ATOM 0 HG3 ARG A 65 -16.149 -14.121 -15.520 1.00 13.43 H new ATOM 0 HD2 ARG A 65 -17.911 -12.999 -16.786 1.00 43.32 H new ATOM 0 HD3 ARG A 65 -17.041 -14.101 -17.836 1.00 43.32 H new ATOM 0 HE ARG A 65 -19.405 -15.320 -16.620 1.00 72.14 H new ATOM 0 HH11 ARG A 65 -18.180 -13.323 -19.260 1.00 63.44 H new ATOM 0 HH12 ARG A 65 -19.525 -13.716 -20.336 1.00 63.44 H new ATOM 0 HH21 ARG A 65 -21.131 -15.820 -18.008 1.00 4.11 H new ATOM 0 HH22 ARG A 65 -21.189 -15.123 -19.630 1.00 4.11 H new ATOM 1081 N LYS A 66 -18.162 -17.386 -13.628 1.00 43.31 N ATOM 1082 CA LYS A 66 -19.139 -17.314 -12.548 1.00 40.13 C ATOM 1083 C LYS A 66 -18.555 -17.858 -11.249 1.00 21.23 C ATOM 1084 O LYS A 66 -18.716 -17.258 -10.187 1.00 35.15 O ATOM 1085 CB LYS A 66 -20.400 -18.097 -12.921 1.00 23.41 C ATOM 1086 CG LYS A 66 -21.212 -17.452 -14.030 1.00 44.52 C ATOM 1087 CD LYS A 66 -21.750 -16.094 -13.609 1.00 73.53 C ATOM 1088 CE LYS A 66 -20.927 -14.960 -14.200 1.00 24.32 C ATOM 1089 NZ LYS A 66 -21.434 -14.543 -15.536 1.00 73.53 N ATOM 0 H LYS A 66 -18.416 -18.021 -14.384 1.00 43.31 H new ATOM 0 HA LYS A 66 -19.401 -16.267 -12.397 1.00 40.13 H new ATOM 0 HB2 LYS A 66 -20.115 -19.103 -13.229 1.00 23.41 H new ATOM 0 HB3 LYS A 66 -21.028 -18.201 -12.036 1.00 23.41 H new ATOM 0 HG2 LYS A 66 -20.591 -17.339 -14.919 1.00 44.52 H new ATOM 0 HG3 LYS A 66 -22.041 -18.105 -14.302 1.00 44.52 H new ATOM 0 HD2 LYS A 66 -22.787 -15.997 -13.930 1.00 73.53 H new ATOM 0 HD3 LYS A 66 -21.744 -16.021 -12.521 1.00 73.53 H new ATOM 0 HE2 LYS A 66 -20.946 -14.107 -13.522 1.00 24.32 H new ATOM 0 HE3 LYS A 66 -19.887 -15.274 -14.288 1.00 24.32 H new ATOM 0 HZ1 LYS A 66 -20.836 -13.780 -15.912 1.00 73.53 H new ATOM 0 HZ2 LYS A 66 -21.409 -15.355 -16.186 1.00 73.53 H new ATOM 0 HZ3 LYS A 66 -22.413 -14.203 -15.445 1.00 73.53 H new ATOM 1103 N GLN A 67 -17.875 -18.997 -11.342 1.00 11.53 N ATOM 1104 CA GLN A 67 -17.267 -19.620 -10.173 1.00 24.15 C ATOM 1105 C GLN A 67 -16.265 -18.678 -9.513 1.00 31.15 C ATOM 1106 O GLN A 67 -16.141 -18.647 -8.288 1.00 13.41 O ATOM 1107 CB GLN A 67 -16.574 -20.925 -10.567 1.00 64.41 C ATOM 1108 CG GLN A 67 -17.521 -22.110 -10.671 1.00 42.25 C ATOM 1109 CD GLN A 67 -18.330 -22.323 -9.407 1.00 61.14 C ATOM 1110 OE1 GLN A 67 -17.870 -22.966 -8.463 1.00 70.23 O ATOM 1111 NE2 GLN A 67 -19.543 -21.783 -9.382 1.00 62.12 N ATOM 0 H GLN A 67 -17.732 -19.506 -12.214 1.00 11.53 H new ATOM 0 HA GLN A 67 -18.059 -19.839 -9.457 1.00 24.15 H new ATOM 0 HB2 GLN A 67 -16.073 -20.786 -11.525 1.00 64.41 H new ATOM 0 HB3 GLN A 67 -15.801 -21.152 -9.833 1.00 64.41 H new ATOM 0 HG2 GLN A 67 -18.199 -21.956 -11.510 1.00 42.25 H new ATOM 0 HG3 GLN A 67 -16.947 -23.011 -10.887 1.00 42.25 H new ATOM 0 HE21 GLN A 67 -19.884 -21.258 -10.187 1.00 62.12 H new ATOM 0 HE22 GLN A 67 -20.133 -21.893 -8.558 1.00 62.12 H new ATOM 1120 N TYR A 68 -15.552 -17.913 -10.331 1.00 53.33 N ATOM 1121 CA TYR A 68 -14.559 -16.972 -9.827 1.00 53.31 C ATOM 1122 C TYR A 68 -15.230 -15.808 -9.103 1.00 24.10 C ATOM 1123 O TYR A 68 -14.731 -15.325 -8.086 1.00 35.42 O ATOM 1124 CB TYR A 68 -13.697 -16.444 -10.975 1.00 10.10 C ATOM 1125 CG TYR A 68 -12.781 -15.310 -10.573 1.00 15.23 C ATOM 1126 CD1 TYR A 68 -11.611 -15.554 -9.865 1.00 42.00 C ATOM 1127 CD2 TYR A 68 -13.087 -13.994 -10.899 1.00 72.51 C ATOM 1128 CE1 TYR A 68 -10.771 -14.521 -9.495 1.00 34.03 C ATOM 1129 CE2 TYR A 68 -12.253 -12.956 -10.534 1.00 51.42 C ATOM 1130 CZ TYR A 68 -11.097 -13.224 -9.832 1.00 3.20 C ATOM 1131 OH TYR A 68 -10.264 -12.191 -9.465 1.00 61.54 O ATOM 0 H TYR A 68 -15.643 -17.926 -11.347 1.00 53.33 H new ATOM 0 HA TYR A 68 -13.923 -17.500 -9.117 1.00 53.31 H new ATOM 0 HB2 TYR A 68 -13.096 -17.262 -11.373 1.00 10.10 H new ATOM 0 HB3 TYR A 68 -14.348 -16.106 -11.781 1.00 10.10 H new ATOM 0 HD1 TYR A 68 -11.353 -16.569 -9.599 1.00 42.00 H new ATOM 0 HD2 TYR A 68 -13.993 -13.780 -11.447 1.00 72.51 H new ATOM 0 HE1 TYR A 68 -9.865 -14.728 -8.945 1.00 34.03 H new ATOM 0 HE2 TYR A 68 -12.505 -11.939 -10.797 1.00 51.42 H new ATOM 0 HH TYR A 68 -10.638 -11.342 -9.780 1.00 61.54 H new ATOM 1141 N ASP A 69 -16.363 -15.363 -9.635 1.00 23.23 N ATOM 1142 CA ASP A 69 -17.104 -14.257 -9.040 1.00 32.44 C ATOM 1143 C ASP A 69 -17.656 -14.647 -7.672 1.00 2.23 C ATOM 1144 O ASP A 69 -17.885 -13.791 -6.817 1.00 61.24 O ATOM 1145 CB ASP A 69 -18.247 -13.827 -9.961 1.00 30.44 C ATOM 1146 CG ASP A 69 -18.820 -12.476 -9.580 1.00 60.33 C ATOM 1147 OD1 ASP A 69 -20.057 -12.319 -9.641 1.00 11.41 O ATOM 1148 OD2 ASP A 69 -18.031 -11.576 -9.223 1.00 31.21 O ATOM 0 H ASP A 69 -16.788 -15.751 -10.477 1.00 23.23 H new ATOM 0 HA ASP A 69 -16.418 -13.420 -8.910 1.00 32.44 H new ATOM 0 HB2 ASP A 69 -17.887 -13.789 -10.989 1.00 30.44 H new ATOM 0 HB3 ASP A 69 -19.038 -14.576 -9.928 1.00 30.44 H new ATOM 1153 N ALA A 70 -17.868 -15.944 -7.472 1.00 42.51 N ATOM 1154 CA ALA A 70 -18.392 -16.446 -6.208 1.00 64.22 C ATOM 1155 C ALA A 70 -17.378 -16.265 -5.083 1.00 74.00 C ATOM 1156 O ALA A 70 -17.745 -15.964 -3.947 1.00 11.21 O ATOM 1157 CB ALA A 70 -18.778 -17.912 -6.342 1.00 44.24 C ATOM 0 H ALA A 70 -17.685 -16.666 -8.169 1.00 42.51 H new ATOM 0 HA ALA A 70 -19.282 -15.869 -5.957 1.00 64.22 H new ATOM 0 HB1 ALA A 70 -19.168 -18.274 -5.391 1.00 44.24 H new ATOM 0 HB2 ALA A 70 -19.543 -18.018 -7.111 1.00 44.24 H new ATOM 0 HB3 ALA A 70 -17.900 -18.495 -6.620 1.00 44.24 H new ATOM 1163 N TYR A 71 -16.103 -16.451 -5.406 1.00 14.11 N ATOM 1164 CA TYR A 71 -15.037 -16.311 -4.421 1.00 53.01 C ATOM 1165 C TYR A 71 -14.325 -14.971 -4.576 1.00 12.31 C ATOM 1166 O TYR A 71 -13.157 -14.830 -4.216 1.00 13.13 O ATOM 1167 CB TYR A 71 -14.031 -17.455 -4.561 1.00 55.24 C ATOM 1168 CG TYR A 71 -14.657 -18.827 -4.459 1.00 73.44 C ATOM 1169 CD1 TYR A 71 -15.055 -19.341 -3.231 1.00 72.32 C ATOM 1170 CD2 TYR A 71 -14.850 -19.611 -5.591 1.00 3.25 C ATOM 1171 CE1 TYR A 71 -15.627 -20.595 -3.133 1.00 22.11 C ATOM 1172 CE2 TYR A 71 -15.422 -20.865 -5.502 1.00 22.01 C ATOM 1173 CZ TYR A 71 -15.808 -21.353 -4.271 1.00 15.10 C ATOM 1174 OH TYR A 71 -16.377 -22.602 -4.178 1.00 74.43 O ATOM 0 H TYR A 71 -15.783 -16.699 -6.342 1.00 14.11 H new ATOM 0 HA TYR A 71 -15.486 -16.351 -3.429 1.00 53.01 H new ATOM 0 HB2 TYR A 71 -13.524 -17.367 -5.522 1.00 55.24 H new ATOM 0 HB3 TYR A 71 -13.269 -17.354 -3.788 1.00 55.24 H new ATOM 0 HD1 TYR A 71 -14.915 -18.750 -2.338 1.00 72.32 H new ATOM 0 HD2 TYR A 71 -14.547 -19.233 -6.556 1.00 3.25 H new ATOM 0 HE1 TYR A 71 -15.931 -20.980 -2.171 1.00 22.11 H new ATOM 0 HE2 TYR A 71 -15.566 -21.460 -6.392 1.00 22.01 H new ATOM 0 HH TYR A 71 -16.434 -23.003 -5.070 1.00 74.43 H new ATOM 1184 N GLY A 72 -15.039 -13.987 -5.115 1.00 34.02 N ATOM 1185 CA GLY A 72 -14.461 -12.670 -5.308 1.00 71.21 C ATOM 1186 C GLY A 72 -14.376 -11.879 -4.018 1.00 31.22 C ATOM 1187 O GLY A 72 -14.939 -12.279 -2.999 1.00 10.24 O ATOM 0 H GLY A 72 -16.008 -14.079 -5.421 1.00 34.02 H new ATOM 0 HA2 GLY A 72 -13.463 -12.774 -5.733 1.00 71.21 H new ATOM 0 HA3 GLY A 72 -15.060 -12.116 -6.031 1.00 71.21 H new ATOM 1191 N SER A 73 -13.669 -10.755 -4.060 1.00 41.43 N ATOM 1192 CA SER A 73 -13.507 -9.908 -2.884 1.00 33.31 C ATOM 1193 C SER A 73 -14.618 -8.865 -2.809 1.00 2.24 C ATOM 1194 O SER A 73 -14.671 -8.067 -1.874 1.00 31.31 O ATOM 1195 CB SER A 73 -12.143 -9.216 -2.911 1.00 20.53 C ATOM 1196 OG SER A 73 -11.809 -8.799 -4.223 1.00 3.31 O ATOM 0 H SER A 73 -13.199 -10.409 -4.896 1.00 41.43 H new ATOM 0 HA SER A 73 -13.567 -10.542 -1.999 1.00 33.31 H new ATOM 0 HB2 SER A 73 -12.156 -8.354 -2.244 1.00 20.53 H new ATOM 0 HB3 SER A 73 -11.379 -9.897 -2.537 1.00 20.53 H new ATOM 0 HG SER A 73 -10.934 -8.358 -4.213 1.00 3.31 H new TER 1202 SER A 73