USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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: C 80 MET CE :methyl 172:sc= -0.0019 (180deg=-0.0325) USER MOD Set 1.2: C 81 MET CE :methyl -163:sc= -0.0733 (180deg=-0.161) USER MOD Set 1.3: I 121 MET CE :methyl 158:sc= -0.147 (180deg=-1.39) USER MOD Set 2.1: C 85 MET CE :methyl -152:sc= 0 (180deg=0) USER MOD Set 2.2: C 86 LYS NZ :NH3+ 158:sc= -0.251 (180deg=-1.25!) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ -136:sc= 0.119 (180deg=0) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ -107:sc= 0.503 (180deg=-0.12) USER MOD Single : C 11 GLN : amide:sc= -1.74 K(o=-1.7,f=-3!) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0 USER MOD Single : C 16 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.6) USER MOD Single : C 17 LYS NZ :NH3+ 157:sc= -0.076 (180deg=-0.671) USER MOD Single : C 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -81:sc= -0.105 USER MOD Single : C 37 SER OG : rot -2:sc= 1.05 USER MOD Single : C 38 THR OG1 : rot -110:sc= -15.6! USER MOD Single : C 39 LYS NZ :NH3+ -147:sc=-0.00867 (180deg=-0.19) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 173:sc= -1.54 (180deg=-1.64) USER MOD Single : C 47 MET CE :methyl 139:sc= -0.263 (180deg=-1.73!) USER MOD Single : C 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : C 51 ASN : amide:sc= -3.36! K(o=-3.4!,f=-1.2) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.128 USER MOD Single : C 58 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.7) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot -116:sc= -0.313 USER MOD Single : C 71 THR OG1 : rot 74:sc= -7.67! USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 89 SER OG : rot 180:sc= -0.0505 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 57.185 -13.870 22.104 1.00 0.00 N ATOM 2 CA MET C 1 56.662 -13.038 20.985 1.00 0.00 C ATOM 3 C MET C 1 56.629 -13.870 19.707 1.00 0.00 C ATOM 4 O MET C 1 56.913 -15.068 19.728 1.00 0.00 O ATOM 5 CB MET C 1 57.567 -11.819 20.792 1.00 0.00 C ATOM 6 CG MET C 1 56.720 -10.612 20.388 1.00 0.00 C ATOM 7 SD MET C 1 56.021 -9.842 21.870 1.00 0.00 S ATOM 8 CE MET C 1 56.785 -8.215 21.662 1.00 0.00 C ATOM 0 H1 MET C 1 56.602 -13.718 22.952 1.00 0.00 H new ATOM 0 H2 MET C 1 57.151 -14.874 21.836 1.00 0.00 H new ATOM 0 H3 MET C 1 58.168 -13.600 22.307 1.00 0.00 H new ATOM 0 HA MET C 1 55.652 -12.701 21.218 1.00 0.00 H new ATOM 0 HB2 MET C 1 58.107 -11.605 21.714 1.00 0.00 H new ATOM 0 HB3 MET C 1 58.314 -12.025 20.025 1.00 0.00 H new ATOM 0 HG2 MET C 1 57.331 -9.891 19.844 1.00 0.00 H new ATOM 0 HG3 MET C 1 55.921 -10.924 19.716 1.00 0.00 H new ATOM 0 HE1 MET C 1 56.484 -7.564 22.483 1.00 0.00 H new ATOM 0 HE2 MET C 1 57.870 -8.320 21.661 1.00 0.00 H new ATOM 0 HE3 MET C 1 56.462 -7.780 20.716 1.00 0.00 H new ATOM 20 N ASP C 2 56.282 -13.227 18.597 1.00 0.00 N ATOM 21 CA ASP C 2 56.216 -13.919 17.315 1.00 0.00 C ATOM 22 C ASP C 2 56.621 -12.984 16.180 1.00 0.00 C ATOM 23 O ASP C 2 57.217 -11.933 16.412 1.00 0.00 O ATOM 24 CB ASP C 2 54.796 -14.434 17.072 1.00 0.00 C ATOM 25 CG ASP C 2 54.796 -15.442 15.928 1.00 0.00 C ATOM 26 OD1 ASP C 2 55.872 -15.797 15.477 1.00 0.00 O ATOM 27 OD2 ASP C 2 53.719 -15.844 15.519 1.00 0.00 O ATOM 0 H ASP C 2 56.044 -12.236 18.559 1.00 0.00 H new ATOM 0 HA ASP C 2 56.908 -14.761 17.342 1.00 0.00 H new ATOM 0 HB2 ASP C 2 54.409 -14.900 17.978 1.00 0.00 H new ATOM 0 HB3 ASP C 2 54.134 -13.601 16.834 1.00 0.00 H new ATOM 32 N ASP C 3 56.293 -13.375 14.953 1.00 0.00 N ATOM 33 CA ASP C 3 56.628 -12.563 13.789 1.00 0.00 C ATOM 34 C ASP C 3 55.368 -12.194 13.012 1.00 0.00 C ATOM 35 O ASP C 3 54.946 -12.922 12.113 1.00 0.00 O ATOM 36 CB ASP C 3 57.587 -13.330 12.876 1.00 0.00 C ATOM 37 CG ASP C 3 58.819 -13.764 13.662 1.00 0.00 C ATOM 38 OD1 ASP C 3 59.093 -13.154 14.682 1.00 0.00 O ATOM 39 OD2 ASP C 3 59.471 -14.702 13.232 1.00 0.00 O ATOM 0 H ASP C 3 55.800 -14.242 14.740 1.00 0.00 H new ATOM 0 HA ASP C 3 57.109 -11.648 14.134 1.00 0.00 H new ATOM 0 HB2 ASP C 3 57.085 -14.203 12.459 1.00 0.00 H new ATOM 0 HB3 ASP C 3 57.884 -12.702 12.036 1.00 0.00 H new ATOM 44 N ILE C 4 54.772 -11.060 13.364 1.00 0.00 N ATOM 45 CA ILE C 4 53.560 -10.605 12.693 1.00 0.00 C ATOM 46 C ILE C 4 53.901 -9.957 11.354 1.00 0.00 C ATOM 47 O ILE C 4 53.019 -9.706 10.533 1.00 0.00 O ATOM 48 CB ILE C 4 52.821 -9.598 13.575 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.437 -10.267 14.898 1.00 0.00 C ATOM 50 CG2 ILE C 4 51.555 -9.124 12.860 1.00 0.00 C ATOM 51 CD1 ILE C 4 51.926 -9.208 15.876 1.00 0.00 C ATOM 0 H ILE C 4 55.105 -10.443 14.105 1.00 0.00 H new ATOM 0 HA ILE C 4 52.920 -11.469 12.514 1.00 0.00 H new ATOM 0 HB ILE C 4 53.469 -8.744 13.771 1.00 0.00 H new ATOM 0 HG12 ILE C 4 51.668 -11.020 14.727 1.00 0.00 H new ATOM 0 HG13 ILE C 4 53.299 -10.782 15.321 1.00 0.00 H new ATOM 0 HG21 ILE C 4 51.029 -8.406 13.489 1.00 0.00 H new ATOM 0 HG22 ILE C 4 51.826 -8.650 11.917 1.00 0.00 H new ATOM 0 HG23 ILE C 4 50.907 -9.978 12.664 1.00 0.00 H new ATOM 0 HD11 ILE C 4 51.653 -9.684 16.818 1.00 0.00 H new ATOM 0 HD12 ILE C 4 52.709 -8.471 16.056 1.00 0.00 H new ATOM 0 HD13 ILE C 4 51.052 -8.713 15.453 1.00 0.00 H new ATOM 63 N TYR C 5 55.185 -9.689 11.142 1.00 0.00 N ATOM 64 CA TYR C 5 55.630 -9.070 9.899 1.00 0.00 C ATOM 65 C TYR C 5 56.209 -10.120 8.955 1.00 0.00 C ATOM 66 O TYR C 5 55.833 -10.191 7.785 1.00 0.00 O ATOM 67 CB TYR C 5 56.690 -8.008 10.195 1.00 0.00 C ATOM 68 CG TYR C 5 57.573 -8.478 11.326 1.00 0.00 C ATOM 69 CD1 TYR C 5 57.138 -8.356 12.651 1.00 0.00 C ATOM 70 CD2 TYR C 5 58.827 -9.037 11.049 1.00 0.00 C ATOM 71 CE1 TYR C 5 57.957 -8.793 13.699 1.00 0.00 C ATOM 72 CE2 TYR C 5 59.645 -9.473 12.098 1.00 0.00 C ATOM 73 CZ TYR C 5 59.210 -9.351 13.423 1.00 0.00 C ATOM 74 OH TYR C 5 60.017 -9.781 14.456 1.00 0.00 O ATOM 0 H TYR C 5 55.931 -9.889 11.809 1.00 0.00 H new ATOM 0 HA TYR C 5 54.770 -8.601 9.420 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.290 -7.820 9.305 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.211 -7.066 10.461 1.00 0.00 H new ATOM 0 HD1 TYR C 5 56.171 -7.925 12.865 1.00 0.00 H new ATOM 0 HD2 TYR C 5 59.163 -9.132 10.027 1.00 0.00 H new ATOM 0 HE1 TYR C 5 57.621 -8.699 14.721 1.00 0.00 H new ATOM 0 HE2 TYR C 5 60.612 -9.904 11.885 1.00 0.00 H new ATOM 0 HH TYR C 5 60.851 -10.143 14.091 1.00 0.00 H new ATOM 84 N LYS C 6 57.126 -10.932 9.471 1.00 0.00 N ATOM 85 CA LYS C 6 57.750 -11.974 8.665 1.00 0.00 C ATOM 86 C LYS C 6 56.709 -12.987 8.199 1.00 0.00 C ATOM 87 O LYS C 6 56.883 -13.643 7.172 1.00 0.00 O ATOM 88 CB LYS C 6 58.830 -12.688 9.480 1.00 0.00 C ATOM 89 CG LYS C 6 59.906 -13.230 8.537 1.00 0.00 C ATOM 90 CD LYS C 6 60.981 -12.163 8.322 1.00 0.00 C ATOM 91 CE LYS C 6 62.096 -12.730 7.441 1.00 0.00 C ATOM 92 NZ LYS C 6 62.857 -11.610 6.819 1.00 0.00 N ATOM 0 H LYS C 6 57.451 -10.889 10.437 1.00 0.00 H new ATOM 0 HA LYS C 6 58.204 -11.508 7.790 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.274 -11.998 10.198 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.389 -13.504 10.053 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.352 -14.131 8.957 1.00 0.00 H new ATOM 0 HG3 LYS C 6 59.460 -13.510 7.582 1.00 0.00 H new ATOM 0 HD2 LYS C 6 60.544 -11.282 7.852 1.00 0.00 H new ATOM 0 HD3 LYS C 6 61.388 -11.844 9.281 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.765 -13.351 8.037 1.00 0.00 H new ATOM 0 HE3 LYS C 6 61.672 -13.370 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 62.620 -11.548 5.808 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.606 -10.717 7.289 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 63.877 -11.782 6.925 1.00 0.00 H new ATOM 106 N ALA C 7 55.626 -13.108 8.960 1.00 0.00 N ATOM 107 CA ALA C 7 54.562 -14.044 8.615 1.00 0.00 C ATOM 108 C ALA C 7 53.700 -13.483 7.489 1.00 0.00 C ATOM 109 O ALA C 7 53.355 -14.195 6.546 1.00 0.00 O ATOM 110 CB ALA C 7 53.689 -14.317 9.841 1.00 0.00 C ATOM 0 H ALA C 7 55.462 -12.574 9.813 1.00 0.00 H new ATOM 0 HA ALA C 7 55.018 -14.976 8.279 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.897 -15.017 9.575 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.301 -14.746 10.635 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.247 -13.383 10.188 1.00 0.00 H new ATOM 116 N ALA C 8 53.355 -12.204 7.595 1.00 0.00 N ATOM 117 CA ALA C 8 52.533 -11.558 6.578 1.00 0.00 C ATOM 118 C ALA C 8 53.222 -11.609 5.219 1.00 0.00 C ATOM 119 O ALA C 8 52.608 -11.969 4.214 1.00 0.00 O ATOM 120 CB ALA C 8 52.271 -10.102 6.966 1.00 0.00 C ATOM 0 H ALA C 8 53.629 -11.598 8.368 1.00 0.00 H new ATOM 0 HA ALA C 8 51.585 -12.092 6.511 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.657 -9.627 6.201 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.750 -10.069 7.923 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.220 -9.572 7.051 1.00 0.00 H new ATOM 126 N VAL C 9 54.500 -11.247 5.195 1.00 0.00 N ATOM 127 CA VAL C 9 55.264 -11.255 3.952 1.00 0.00 C ATOM 128 C VAL C 9 55.055 -12.568 3.204 1.00 0.00 C ATOM 129 O VAL C 9 54.624 -12.574 2.051 1.00 0.00 O ATOM 130 CB VAL C 9 56.752 -11.068 4.252 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.959 -9.758 5.014 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.249 -12.237 5.106 1.00 0.00 C ATOM 0 H VAL C 9 55.026 -10.946 6.015 1.00 0.00 H new ATOM 0 HA VAL C 9 54.914 -10.434 3.327 1.00 0.00 H new ATOM 0 HB VAL C 9 57.310 -11.036 3.316 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.020 -9.625 5.228 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.604 -8.925 4.408 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.401 -9.790 5.950 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.309 -12.106 5.321 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.690 -12.268 6.041 1.00 0.00 H new ATOM 0 HG23 VAL C 9 57.102 -13.172 4.565 1.00 0.00 H new ATOM 142 N GLU C 10 55.362 -13.677 3.868 1.00 0.00 N ATOM 143 CA GLU C 10 55.203 -14.991 3.255 1.00 0.00 C ATOM 144 C GLU C 10 53.744 -15.238 2.887 1.00 0.00 C ATOM 145 O GLU C 10 53.446 -16.001 1.968 1.00 0.00 O ATOM 146 CB GLU C 10 55.679 -16.079 4.220 1.00 0.00 C ATOM 147 CG GLU C 10 54.965 -15.918 5.563 1.00 0.00 C ATOM 148 CD GLU C 10 55.354 -17.056 6.500 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.085 -17.931 6.066 1.00 0.00 O ATOM 150 OE2 GLU C 10 54.915 -17.037 7.638 1.00 0.00 O ATOM 0 H GLU C 10 55.720 -13.693 4.823 1.00 0.00 H new ATOM 0 HA GLU C 10 55.805 -15.022 2.347 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.474 -17.065 3.803 1.00 0.00 H new ATOM 0 HB3 GLU C 10 56.758 -16.010 4.359 1.00 0.00 H new ATOM 0 HG2 GLU C 10 55.228 -14.960 6.012 1.00 0.00 H new ATOM 0 HG3 GLU C 10 53.886 -15.913 5.412 1.00 0.00 H new ATOM 157 N GLN C 11 52.838 -14.587 3.610 1.00 0.00 N ATOM 158 CA GLN C 11 51.412 -14.744 3.350 1.00 0.00 C ATOM 159 C GLN C 11 50.909 -13.634 2.433 1.00 0.00 C ATOM 160 O GLN C 11 49.838 -13.069 2.654 1.00 0.00 O ATOM 161 CB GLN C 11 50.634 -14.710 4.668 1.00 0.00 C ATOM 162 CG GLN C 11 49.607 -15.843 4.683 1.00 0.00 C ATOM 163 CD GLN C 11 48.662 -15.707 3.494 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.116 -14.630 3.255 1.00 0.00 O ATOM 165 NE2 GLN C 11 48.435 -16.741 2.731 1.00 0.00 N ATOM 0 H GLN C 11 53.064 -13.951 4.375 1.00 0.00 H new ATOM 0 HA GLN C 11 51.255 -15.705 2.859 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.319 -14.814 5.510 1.00 0.00 H new ATOM 0 HB3 GLN C 11 50.133 -13.749 4.782 1.00 0.00 H new ATOM 0 HG2 GLN C 11 50.116 -16.806 4.645 1.00 0.00 H new ATOM 0 HG3 GLN C 11 49.040 -15.818 5.613 1.00 0.00 H new ATOM 0 HE21 GLN C 11 48.889 -17.632 2.931 1.00 0.00 H new ATOM 0 HE22 GLN C 11 47.804 -16.658 1.934 1.00 0.00 H new ATOM 174 N LEU C 12 51.690 -13.326 1.402 1.00 0.00 N ATOM 175 CA LEU C 12 51.314 -12.281 0.457 1.00 0.00 C ATOM 176 C LEU C 12 50.921 -12.890 -0.886 1.00 0.00 C ATOM 177 O LEU C 12 51.529 -13.858 -1.342 1.00 0.00 O ATOM 178 CB LEU C 12 52.481 -11.312 0.258 1.00 0.00 C ATOM 179 CG LEU C 12 52.048 -9.902 0.661 1.00 0.00 C ATOM 180 CD1 LEU C 12 51.982 -9.804 2.186 1.00 0.00 C ATOM 181 CD2 LEU C 12 53.062 -8.887 0.130 1.00 0.00 C ATOM 0 H LEU C 12 52.580 -13.781 1.201 1.00 0.00 H new ATOM 0 HA LEU C 12 50.459 -11.741 0.863 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.335 -11.627 0.858 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.802 -11.322 -0.784 1.00 0.00 H new ATOM 0 HG LEU C 12 51.065 -9.690 0.240 1.00 0.00 H new ATOM 0 HD11 LEU C 12 51.673 -8.799 2.473 1.00 0.00 H new ATOM 0 HD12 LEU C 12 51.261 -10.527 2.566 1.00 0.00 H new ATOM 0 HD13 LEU C 12 52.965 -10.016 2.607 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.754 -7.881 0.417 1.00 0.00 H new ATOM 0 HD22 LEU C 12 54.045 -9.100 0.551 1.00 0.00 H new ATOM 0 HD23 LEU C 12 53.111 -8.956 -0.957 1.00 0.00 H new ATOM 193 N THR C 13 49.900 -12.316 -1.514 1.00 0.00 N ATOM 194 CA THR C 13 49.434 -12.810 -2.805 1.00 0.00 C ATOM 195 C THR C 13 49.967 -11.938 -3.937 1.00 0.00 C ATOM 196 O THR C 13 50.365 -10.794 -3.717 1.00 0.00 O ATOM 197 CB THR C 13 47.904 -12.818 -2.840 1.00 0.00 C ATOM 198 OG1 THR C 13 47.404 -13.109 -1.542 1.00 0.00 O ATOM 199 CG2 THR C 13 47.420 -13.881 -3.827 1.00 0.00 C ATOM 0 H THR C 13 49.383 -11.514 -1.153 1.00 0.00 H new ATOM 0 HA THR C 13 49.805 -13.826 -2.940 1.00 0.00 H new ATOM 0 HB THR C 13 47.542 -11.840 -3.158 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.424 -13.113 -1.562 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.330 -13.886 -3.851 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.804 -13.655 -4.822 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.780 -14.860 -3.512 1.00 0.00 H new ATOM 207 N GLU C 14 49.971 -12.485 -5.147 1.00 0.00 N ATOM 208 CA GLU C 14 50.457 -11.747 -6.307 1.00 0.00 C ATOM 209 C GLU C 14 49.778 -10.385 -6.399 1.00 0.00 C ATOM 210 O GLU C 14 50.279 -9.474 -7.058 1.00 0.00 O ATOM 211 CB GLU C 14 50.184 -12.543 -7.585 1.00 0.00 C ATOM 212 CG GLU C 14 50.828 -11.833 -8.777 1.00 0.00 C ATOM 213 CD GLU C 14 50.443 -12.536 -10.074 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.677 -13.483 -10.006 1.00 0.00 O ATOM 215 OE2 GLU C 14 50.919 -12.117 -11.116 1.00 0.00 O ATOM 0 H GLU C 14 49.646 -13.430 -5.350 1.00 0.00 H new ATOM 0 HA GLU C 14 51.531 -11.598 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.585 -13.552 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU C 14 49.110 -12.640 -7.743 1.00 0.00 H new ATOM 0 HG2 GLU C 14 50.505 -10.792 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU C 14 51.912 -11.827 -8.665 1.00 0.00 H new ATOM 222 N GLU C 15 48.635 -10.253 -5.733 1.00 0.00 N ATOM 223 CA GLU C 15 47.896 -8.996 -5.747 1.00 0.00 C ATOM 224 C GLU C 15 48.666 -7.913 -4.998 1.00 0.00 C ATOM 225 O GLU C 15 48.696 -6.756 -5.419 1.00 0.00 O ATOM 226 CB GLU C 15 46.524 -9.191 -5.098 1.00 0.00 C ATOM 227 CG GLU C 15 45.678 -10.128 -5.962 1.00 0.00 C ATOM 228 CD GLU C 15 44.278 -10.260 -5.371 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.072 -9.772 -4.273 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.434 -10.848 -6.027 1.00 0.00 O ATOM 0 H GLU C 15 48.203 -10.994 -5.181 1.00 0.00 H new ATOM 0 HA GLU C 15 47.767 -8.683 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.639 -9.607 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.023 -8.230 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU C 15 45.617 -9.742 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.151 -11.108 -6.021 1.00 0.00 H new ATOM 237 N GLN C 16 49.287 -8.296 -3.888 1.00 0.00 N ATOM 238 CA GLN C 16 50.055 -7.348 -3.088 1.00 0.00 C ATOM 239 C GLN C 16 51.468 -7.201 -3.642 1.00 0.00 C ATOM 240 O GLN C 16 51.889 -6.106 -4.013 1.00 0.00 O ATOM 241 CB GLN C 16 50.121 -7.823 -1.635 1.00 0.00 C ATOM 242 CG GLN C 16 48.739 -7.691 -0.992 1.00 0.00 C ATOM 243 CD GLN C 16 48.773 -8.237 0.432 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.608 -9.439 0.640 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.978 -7.422 1.429 1.00 0.00 N ATOM 0 H GLN C 16 49.275 -9.249 -3.523 1.00 0.00 H new ATOM 0 HA GLN C 16 49.558 -6.379 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.455 -8.860 -1.595 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.850 -7.232 -1.081 1.00 0.00 H new ATOM 0 HG2 GLN C 16 48.432 -6.645 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.001 -8.235 -1.581 1.00 0.00 H new ATOM 0 HE21 GLN C 16 49.114 -6.426 1.254 1.00 0.00 H new ATOM 0 HE22 GLN C 16 49.002 -7.780 2.384 1.00 0.00 H new ATOM 254 N LYS C 17 52.196 -8.312 -3.695 1.00 0.00 N ATOM 255 CA LYS C 17 53.562 -8.295 -4.206 1.00 0.00 C ATOM 256 C LYS C 17 53.654 -7.434 -5.461 1.00 0.00 C ATOM 257 O LYS C 17 54.543 -6.591 -5.583 1.00 0.00 O ATOM 258 CB LYS C 17 54.017 -9.720 -4.528 1.00 0.00 C ATOM 259 CG LYS C 17 55.496 -9.708 -4.918 1.00 0.00 C ATOM 260 CD LYS C 17 55.929 -11.119 -5.323 1.00 0.00 C ATOM 261 CE LYS C 17 57.444 -11.149 -5.529 1.00 0.00 C ATOM 262 NZ LYS C 17 58.127 -10.919 -4.225 1.00 0.00 N ATOM 0 H LYS C 17 51.866 -9.229 -3.393 1.00 0.00 H new ATOM 0 HA LYS C 17 54.211 -7.871 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.863 -10.366 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.419 -10.129 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.660 -9.015 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.101 -9.357 -4.082 1.00 0.00 H new ATOM 0 HD2 LYS C 17 55.642 -11.834 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.421 -11.418 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS C 17 57.746 -12.110 -5.945 1.00 0.00 H new ATOM 0 HE3 LYS C 17 57.739 -10.383 -6.247 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 59.090 -11.311 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 58.176 -9.898 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 57.593 -11.388 -3.466 1.00 0.00 H new ATOM 276 N ASN C 18 52.730 -7.650 -6.391 1.00 0.00 N ATOM 277 CA ASN C 18 52.716 -6.887 -7.634 1.00 0.00 C ATOM 278 C ASN C 18 52.810 -5.392 -7.345 1.00 0.00 C ATOM 279 O ASN C 18 53.369 -4.632 -8.136 1.00 0.00 O ATOM 280 CB ASN C 18 51.433 -7.180 -8.412 1.00 0.00 C ATOM 281 CG ASN C 18 51.453 -6.443 -9.747 1.00 0.00 C ATOM 282 OD1 ASN C 18 50.773 -5.430 -9.909 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.198 -6.894 -10.719 1.00 0.00 N ATOM 0 H ASN C 18 51.985 -8.342 -6.309 1.00 0.00 H new ATOM 0 HA ASN C 18 53.578 -7.185 -8.232 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.337 -8.253 -8.581 1.00 0.00 H new ATOM 0 HB3 ASN C 18 50.566 -6.870 -7.829 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.217 -6.407 -11.615 1.00 0.00 H new ATOM 0 HD22 ASN C 18 52.761 -7.734 -10.583 1.00 0.00 H new ATOM 290 N GLU C 19 52.259 -4.978 -6.209 1.00 0.00 N ATOM 291 CA GLU C 19 52.286 -3.571 -5.827 1.00 0.00 C ATOM 292 C GLU C 19 53.642 -3.203 -5.234 1.00 0.00 C ATOM 293 O GLU C 19 54.268 -2.228 -5.650 1.00 0.00 O ATOM 294 CB GLU C 19 51.185 -3.286 -4.803 1.00 0.00 C ATOM 295 CG GLU C 19 49.828 -3.685 -5.388 1.00 0.00 C ATOM 296 CD GLU C 19 48.713 -3.315 -4.416 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.029 -2.894 -3.315 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.560 -3.458 -4.786 1.00 0.00 O ATOM 0 H GLU C 19 51.792 -5.591 -5.541 1.00 0.00 H new ATOM 0 HA GLU C 19 52.116 -2.969 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.375 -3.842 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.183 -2.228 -4.540 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.672 -3.182 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.809 -4.757 -5.586 1.00 0.00 H new ATOM 305 N PHE C 20 54.090 -3.989 -4.261 1.00 0.00 N ATOM 306 CA PHE C 20 55.374 -3.736 -3.618 1.00 0.00 C ATOM 307 C PHE C 20 56.499 -3.739 -4.647 1.00 0.00 C ATOM 308 O PHE C 20 57.383 -2.883 -4.619 1.00 0.00 O ATOM 309 CB PHE C 20 55.647 -4.804 -2.557 1.00 0.00 C ATOM 310 CG PHE C 20 54.621 -4.693 -1.455 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.625 -3.712 -1.521 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.666 -5.572 -0.366 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.674 -3.609 -0.499 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.715 -5.469 0.656 1.00 0.00 C ATOM 315 CZ PHE C 20 52.719 -4.488 0.590 1.00 0.00 C ATOM 0 H PHE C 20 53.587 -4.801 -3.902 1.00 0.00 H new ATOM 0 HA PHE C 20 55.334 -2.755 -3.144 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.608 -5.796 -3.006 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.650 -4.678 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE C 20 53.590 -3.034 -2.361 1.00 0.00 H new ATOM 0 HD2 PHE C 20 55.434 -6.329 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE C 20 51.906 -2.852 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE C 20 53.750 -6.147 1.496 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.985 -4.409 1.379 1.00 0.00 H new ATOM 325 N LYS C 21 56.460 -4.709 -5.556 1.00 0.00 N ATOM 326 CA LYS C 21 57.482 -4.814 -6.591 1.00 0.00 C ATOM 327 C LYS C 21 57.627 -3.492 -7.337 1.00 0.00 C ATOM 328 O LYS C 21 58.690 -3.187 -7.879 1.00 0.00 O ATOM 329 CB LYS C 21 57.113 -5.923 -7.578 1.00 0.00 C ATOM 330 CG LYS C 21 58.289 -6.176 -8.524 1.00 0.00 C ATOM 331 CD LYS C 21 59.268 -7.154 -7.872 1.00 0.00 C ATOM 332 CE LYS C 21 60.370 -7.515 -8.869 1.00 0.00 C ATOM 333 NZ LYS C 21 61.395 -6.434 -8.889 1.00 0.00 N ATOM 0 H LYS C 21 55.738 -5.428 -5.597 1.00 0.00 H new ATOM 0 HA LYS C 21 58.432 -5.054 -6.114 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.863 -6.837 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.229 -5.638 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS C 21 57.928 -6.582 -9.469 1.00 0.00 H new ATOM 0 HG3 LYS C 21 58.794 -5.237 -8.752 1.00 0.00 H new ATOM 0 HD2 LYS C 21 59.704 -6.707 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS C 21 58.742 -8.054 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.831 -8.463 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS C 21 59.946 -7.647 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 62.145 -6.679 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 60.950 -5.538 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 61.807 -6.329 -7.940 1.00 0.00 H new ATOM 347 N ALA C 22 56.552 -2.711 -7.363 1.00 0.00 N ATOM 348 CA ALA C 22 56.572 -1.423 -8.047 1.00 0.00 C ATOM 349 C ALA C 22 57.576 -0.482 -7.390 1.00 0.00 C ATOM 350 O ALA C 22 58.573 -0.098 -8.001 1.00 0.00 O ATOM 351 CB ALA C 22 55.179 -0.792 -8.011 1.00 0.00 C ATOM 0 H ALA C 22 55.662 -2.945 -6.922 1.00 0.00 H new ATOM 0 HA ALA C 22 56.870 -1.587 -9.082 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.202 0.170 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.468 -1.452 -8.508 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.873 -0.644 -6.975 1.00 0.00 H new ATOM 357 N ALA C 23 57.306 -0.115 -6.141 1.00 0.00 N ATOM 358 CA ALA C 23 58.194 0.782 -5.410 1.00 0.00 C ATOM 359 C ALA C 23 59.622 0.244 -5.414 1.00 0.00 C ATOM 360 O ALA C 23 60.562 0.954 -5.772 1.00 0.00 O ATOM 361 CB ALA C 23 57.709 0.936 -3.968 1.00 0.00 C ATOM 0 H ALA C 23 56.486 -0.422 -5.617 1.00 0.00 H new ATOM 0 HA ALA C 23 58.183 1.754 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.378 1.607 -3.429 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.700 1.349 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.703 -0.039 -3.480 1.00 0.00 H new ATOM 367 N PHE C 24 59.776 -1.014 -5.015 1.00 0.00 N ATOM 368 CA PHE C 24 61.094 -1.636 -4.976 1.00 0.00 C ATOM 369 C PHE C 24 61.914 -1.233 -6.197 1.00 0.00 C ATOM 370 O PHE C 24 63.104 -0.941 -6.089 1.00 0.00 O ATOM 371 CB PHE C 24 60.951 -3.159 -4.935 1.00 0.00 C ATOM 372 CG PHE C 24 62.321 -3.791 -4.868 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.937 -3.996 -3.628 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.974 -4.173 -6.046 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.207 -4.583 -3.565 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.244 -4.760 -5.984 1.00 0.00 C ATOM 377 CZ PHE C 24 64.860 -4.964 -4.743 1.00 0.00 C ATOM 0 H PHE C 24 59.011 -1.619 -4.716 1.00 0.00 H new ATOM 0 HA PHE C 24 61.610 -1.295 -4.078 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.359 -3.456 -4.070 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.420 -3.509 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.433 -3.701 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.498 -4.015 -7.003 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.682 -4.742 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.748 -5.055 -6.893 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.840 -5.416 -4.695 1.00 0.00 H new ATOM 387 N ASP C 25 61.268 -1.220 -7.359 1.00 0.00 N ATOM 388 CA ASP C 25 61.948 -0.851 -8.595 1.00 0.00 C ATOM 389 C ASP C 25 62.372 0.614 -8.558 1.00 0.00 C ATOM 390 O ASP C 25 63.555 0.931 -8.676 1.00 0.00 O ATOM 391 CB ASP C 25 61.023 -1.086 -9.791 1.00 0.00 C ATOM 392 CG ASP C 25 61.802 -0.928 -11.092 1.00 0.00 C ATOM 393 OD1 ASP C 25 63.004 -0.733 -11.020 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.185 -1.005 -12.142 1.00 0.00 O ATOM 0 H ASP C 25 60.283 -1.459 -7.470 1.00 0.00 H new ATOM 0 HA ASP C 25 62.838 -1.472 -8.696 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.590 -2.085 -9.736 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.195 -0.378 -9.765 1.00 0.00 H new ATOM 399 N ILE C 26 61.397 1.503 -8.392 1.00 0.00 N ATOM 400 CA ILE C 26 61.681 2.932 -8.341 1.00 0.00 C ATOM 401 C ILE C 26 62.596 3.255 -7.164 1.00 0.00 C ATOM 402 O ILE C 26 63.316 4.254 -7.181 1.00 0.00 O ATOM 403 CB ILE C 26 60.376 3.719 -8.206 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.450 3.372 -9.374 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.679 5.218 -8.225 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.042 3.895 -9.082 1.00 0.00 C ATOM 0 H ILE C 26 60.411 1.261 -8.291 1.00 0.00 H new ATOM 0 HA ILE C 26 62.183 3.217 -9.266 1.00 0.00 H new ATOM 0 HB ILE C 26 59.890 3.459 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.829 3.813 -10.296 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.425 2.293 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.749 5.778 -8.129 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.340 5.466 -7.394 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.164 5.479 -9.165 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.382 3.648 -9.914 1.00 0.00 H new ATOM 0 HD12 ILE C 26 57.664 3.433 -8.170 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.075 4.977 -8.954 1.00 0.00 H new ATOM 418 N PHE C 27 62.562 2.404 -6.144 1.00 0.00 N ATOM 419 CA PHE C 27 63.394 2.609 -4.963 1.00 0.00 C ATOM 420 C PHE C 27 64.861 2.354 -5.290 1.00 0.00 C ATOM 421 O PHE C 27 65.754 2.956 -4.693 1.00 0.00 O ATOM 422 CB PHE C 27 62.948 1.670 -3.841 1.00 0.00 C ATOM 423 CG PHE C 27 61.965 2.386 -2.945 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.997 3.231 -3.502 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.021 2.205 -1.558 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.086 3.895 -2.672 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.110 2.869 -0.728 1.00 0.00 C ATOM 428 CZ PHE C 27 60.142 3.714 -1.285 1.00 0.00 C ATOM 0 H PHE C 27 61.973 1.572 -6.110 1.00 0.00 H new ATOM 0 HA PHE C 27 63.281 3.643 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.488 0.776 -4.262 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.811 1.342 -3.262 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.953 3.370 -4.572 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.767 1.553 -1.128 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.340 4.547 -3.102 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.154 2.730 0.342 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.439 4.226 -0.645 1.00 0.00 H new ATOM 438 N VAL C 28 65.103 1.457 -6.240 1.00 0.00 N ATOM 439 CA VAL C 28 66.468 1.129 -6.638 1.00 0.00 C ATOM 440 C VAL C 28 66.734 1.588 -8.068 1.00 0.00 C ATOM 441 O VAL C 28 67.470 0.939 -8.811 1.00 0.00 O ATOM 442 CB VAL C 28 66.694 -0.380 -6.534 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.553 -1.014 -7.918 1.00 0.00 C ATOM 444 CG2 VAL C 28 68.100 -0.647 -5.992 1.00 0.00 C ATOM 0 H VAL C 28 64.378 0.947 -6.746 1.00 0.00 H new ATOM 0 HA VAL C 28 67.156 1.646 -5.969 1.00 0.00 H new ATOM 0 HB VAL C 28 65.955 -0.813 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.714 -2.089 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL C 28 65.552 -0.823 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL C 28 67.292 -0.582 -8.593 1.00 0.00 H new ATOM 0 HG21 VAL C 28 68.263 -1.722 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL C 28 68.838 -0.214 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL C 28 68.201 -0.195 -5.005 1.00 0.00 H new ATOM 454 N LEU C 29 66.129 2.709 -8.447 1.00 0.00 N ATOM 455 CA LEU C 29 66.308 3.245 -9.792 1.00 0.00 C ATOM 456 C LEU C 29 67.694 3.865 -9.941 1.00 0.00 C ATOM 457 O LEU C 29 67.876 5.062 -9.721 1.00 0.00 O ATOM 458 CB LEU C 29 65.240 4.302 -10.079 1.00 0.00 C ATOM 459 CG LEU C 29 65.333 4.736 -11.543 1.00 0.00 C ATOM 460 CD1 LEU C 29 64.901 3.580 -12.447 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.412 5.936 -11.777 1.00 0.00 C ATOM 0 H LEU C 29 65.515 3.260 -7.847 1.00 0.00 H new ATOM 0 HA LEU C 29 66.210 2.427 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.249 3.899 -9.870 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.379 5.162 -9.424 1.00 0.00 H new ATOM 0 HG LEU C 29 66.361 5.014 -11.775 1.00 0.00 H new ATOM 0 HD11 LEU C 29 64.967 3.889 -13.490 1.00 0.00 H new ATOM 0 HD12 LEU C 29 65.555 2.724 -12.280 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.873 3.302 -12.216 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.477 6.247 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU C 29 63.384 5.657 -11.545 1.00 0.00 H new ATOM 0 HD23 LEU C 29 64.718 6.761 -11.133 1.00 0.00 H new ATOM 473 N GLY C 30 68.667 3.042 -10.318 1.00 0.00 N ATOM 474 CA GLY C 30 70.033 3.521 -10.494 1.00 0.00 C ATOM 475 C GLY C 30 70.992 2.790 -9.561 1.00 0.00 C ATOM 476 O GLY C 30 72.171 3.132 -9.474 1.00 0.00 O ATOM 0 H GLY C 30 68.537 2.048 -10.506 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.343 3.374 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.075 4.592 -10.298 1.00 0.00 H new ATOM 480 N ALA C 31 70.478 1.781 -8.864 1.00 0.00 N ATOM 481 CA ALA C 31 71.299 1.008 -7.939 1.00 0.00 C ATOM 482 C ALA C 31 72.349 0.204 -8.699 1.00 0.00 C ATOM 483 O ALA C 31 72.335 0.152 -9.928 1.00 0.00 O ATOM 484 CB ALA C 31 70.416 0.059 -7.126 1.00 0.00 C ATOM 0 H ALA C 31 69.505 1.481 -8.921 1.00 0.00 H new ATOM 0 HA ALA C 31 71.805 1.700 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.036 -0.515 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.685 0.637 -6.560 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.897 -0.622 -7.800 1.00 0.00 H new ATOM 490 N GLU C 32 73.258 -0.421 -7.958 1.00 0.00 N ATOM 491 CA GLU C 32 74.312 -1.220 -8.572 1.00 0.00 C ATOM 492 C GLU C 32 73.936 -2.699 -8.567 1.00 0.00 C ATOM 493 O GLU C 32 74.077 -3.389 -9.576 1.00 0.00 O ATOM 494 CB GLU C 32 75.626 -1.023 -7.814 1.00 0.00 C ATOM 495 CG GLU C 32 76.040 0.448 -7.883 1.00 0.00 C ATOM 496 CD GLU C 32 76.301 0.849 -9.331 1.00 0.00 C ATOM 497 OE1 GLU C 32 76.493 -0.039 -10.146 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.305 2.038 -9.605 1.00 0.00 O ATOM 0 H GLU C 32 73.286 -0.390 -6.939 1.00 0.00 H new ATOM 0 HA GLU C 32 74.436 -0.892 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.508 -1.330 -6.775 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.405 -1.652 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU C 32 75.256 1.075 -7.459 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.937 0.610 -7.285 1.00 0.00 H new ATOM 505 N ASP C 33 73.457 -3.178 -7.423 1.00 0.00 N ATOM 506 CA ASP C 33 73.064 -4.577 -7.298 1.00 0.00 C ATOM 507 C ASP C 33 71.544 -4.705 -7.260 1.00 0.00 C ATOM 508 O ASP C 33 70.967 -5.565 -7.925 1.00 0.00 O ATOM 509 CB ASP C 33 73.661 -5.175 -6.023 1.00 0.00 C ATOM 510 CG ASP C 33 73.389 -6.674 -5.973 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.868 -7.194 -6.946 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.706 -7.281 -4.963 1.00 0.00 O ATOM 0 H ASP C 33 73.332 -2.623 -6.576 1.00 0.00 H new ATOM 0 HA ASP C 33 73.441 -5.120 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP C 33 74.735 -4.991 -5.993 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.230 -4.689 -5.147 1.00 0.00 H new ATOM 517 N GLY C 34 70.902 -3.844 -6.477 1.00 0.00 N ATOM 518 CA GLY C 34 69.449 -3.870 -6.359 1.00 0.00 C ATOM 519 C GLY C 34 69.014 -3.612 -4.921 1.00 0.00 C ATOM 520 O GLY C 34 68.189 -4.342 -4.372 1.00 0.00 O ATOM 0 H GLY C 34 71.361 -3.125 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.014 -3.117 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.071 -4.837 -6.689 1.00 0.00 H new ATOM 524 N CYS C 35 69.575 -2.570 -4.316 1.00 0.00 N ATOM 525 CA CYS C 35 69.236 -2.225 -2.940 1.00 0.00 C ATOM 526 C CYS C 35 68.892 -0.743 -2.828 1.00 0.00 C ATOM 527 O CYS C 35 68.726 -0.057 -3.836 1.00 0.00 O ATOM 528 CB CYS C 35 70.412 -2.549 -2.016 1.00 0.00 C ATOM 529 SG CYS C 35 71.133 -4.139 -2.493 1.00 0.00 S ATOM 0 H CYS C 35 70.261 -1.954 -4.753 1.00 0.00 H new ATOM 0 HA CYS C 35 68.367 -2.811 -2.642 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.165 -1.763 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.075 -2.586 -0.980 1.00 0.00 H new ATOM 0 HG CYS C 35 70.420 -5.106 -1.995 1.00 0.00 H new ATOM 535 N ILE C 36 68.786 -0.257 -1.596 1.00 0.00 N ATOM 536 CA ILE C 36 68.461 1.145 -1.364 1.00 0.00 C ATOM 537 C ILE C 36 69.479 1.784 -0.425 1.00 0.00 C ATOM 538 O ILE C 36 70.106 1.100 0.385 1.00 0.00 O ATOM 539 CB ILE C 36 67.061 1.264 -0.758 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.021 1.283 -1.881 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.962 2.559 0.049 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.698 -0.152 -2.302 1.00 0.00 C ATOM 0 H ILE C 36 68.919 -0.809 -0.748 1.00 0.00 H new ATOM 0 HA ILE C 36 68.489 1.667 -2.321 1.00 0.00 H new ATOM 0 HB ILE C 36 66.875 0.413 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.115 1.787 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.401 1.847 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.965 2.643 0.481 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.703 2.547 0.848 1.00 0.00 H new ATOM 0 HG23 ILE C 36 67.147 3.411 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.957 -0.139 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE C 36 66.606 -0.640 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE C 36 65.300 -0.701 -1.448 1.00 0.00 H new ATOM 554 N SER C 37 69.640 3.098 -0.539 1.00 0.00 N ATOM 555 CA SER C 37 70.585 3.819 0.305 1.00 0.00 C ATOM 556 C SER C 37 70.240 5.303 0.351 1.00 0.00 C ATOM 557 O SER C 37 71.123 6.159 0.294 1.00 0.00 O ATOM 558 CB SER C 37 72.006 3.640 -0.232 1.00 0.00 C ATOM 559 OG SER C 37 72.441 2.311 0.025 1.00 0.00 O ATOM 0 H SER C 37 69.132 3.682 -1.203 1.00 0.00 H new ATOM 0 HA SER C 37 70.524 3.413 1.315 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.031 3.842 -1.303 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.679 4.354 0.243 1.00 0.00 H new ATOM 0 HG SER C 37 71.743 1.827 0.513 1.00 0.00 H new ATOM 565 N THR C 38 68.949 5.602 0.455 1.00 0.00 N ATOM 566 CA THR C 38 68.497 6.988 0.507 1.00 0.00 C ATOM 567 C THR C 38 68.695 7.668 -0.844 1.00 0.00 C ATOM 568 O THR C 38 67.746 8.184 -1.434 1.00 0.00 O ATOM 569 CB THR C 38 69.275 7.750 1.583 1.00 0.00 C ATOM 570 OG1 THR C 38 68.461 8.792 2.103 1.00 0.00 O ATOM 571 CG2 THR C 38 70.543 8.348 0.971 1.00 0.00 C ATOM 0 H THR C 38 68.202 4.909 0.505 1.00 0.00 H new ATOM 0 HA THR C 38 67.435 6.995 0.752 1.00 0.00 H new ATOM 0 HB THR C 38 69.550 7.067 2.387 1.00 0.00 H new ATOM 0 HG1 THR C 38 68.815 9.659 1.814 1.00 0.00 H new ATOM 0 HG21 THR C 38 71.096 8.890 1.738 1.00 0.00 H new ATOM 0 HG22 THR C 38 71.166 7.548 0.571 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.271 9.032 0.167 1.00 0.00 H new ATOM 579 N LYS C 39 69.933 7.663 -1.328 1.00 0.00 N ATOM 580 CA LYS C 39 70.243 8.282 -2.611 1.00 0.00 C ATOM 581 C LYS C 39 69.152 7.975 -3.632 1.00 0.00 C ATOM 582 O LYS C 39 68.774 8.835 -4.428 1.00 0.00 O ATOM 583 CB LYS C 39 71.588 7.767 -3.128 1.00 0.00 C ATOM 584 CG LYS C 39 71.475 6.275 -3.447 1.00 0.00 C ATOM 585 CD LYS C 39 72.865 5.710 -3.745 1.00 0.00 C ATOM 586 CE LYS C 39 72.729 4.308 -4.343 1.00 0.00 C ATOM 587 NZ LYS C 39 73.671 3.381 -3.655 1.00 0.00 N ATOM 0 H LYS C 39 70.732 7.241 -0.855 1.00 0.00 H new ATOM 0 HA LYS C 39 70.298 9.361 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.882 8.319 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS C 39 72.364 7.932 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS C 39 71.028 5.745 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS C 39 70.818 6.124 -4.304 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.393 6.363 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.457 5.671 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS C 39 71.705 3.951 -4.232 1.00 0.00 H new ATOM 0 HE3 LYS C 39 72.943 4.334 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 74.007 2.664 -4.329 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 74.483 3.919 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 73.182 2.912 -2.866 1.00 0.00 H new ATOM 601 N GLU C 40 68.649 6.745 -3.602 1.00 0.00 N ATOM 602 CA GLU C 40 67.601 6.336 -4.530 1.00 0.00 C ATOM 603 C GLU C 40 66.226 6.508 -3.894 1.00 0.00 C ATOM 604 O GLU C 40 65.271 6.912 -4.557 1.00 0.00 O ATOM 605 CB GLU C 40 67.801 4.873 -4.931 1.00 0.00 C ATOM 606 CG GLU C 40 67.825 4.761 -6.457 1.00 0.00 C ATOM 607 CD GLU C 40 69.017 5.529 -7.018 1.00 0.00 C ATOM 608 OE1 GLU C 40 70.079 5.452 -6.422 1.00 0.00 O ATOM 609 OE2 GLU C 40 68.850 6.181 -8.035 1.00 0.00 O ATOM 0 H GLU C 40 68.947 6.019 -2.950 1.00 0.00 H new ATOM 0 HA GLU C 40 67.660 6.967 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU C 40 68.734 4.495 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU C 40 66.997 4.260 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU C 40 67.885 3.713 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU C 40 66.899 5.156 -6.873 1.00 0.00 H new ATOM 616 N LEU C 41 66.132 6.199 -2.605 1.00 0.00 N ATOM 617 CA LEU C 41 64.868 6.323 -1.889 1.00 0.00 C ATOM 618 C LEU C 41 64.367 7.763 -1.932 1.00 0.00 C ATOM 619 O LEU C 41 63.288 8.039 -2.456 1.00 0.00 O ATOM 620 CB LEU C 41 65.046 5.885 -0.434 1.00 0.00 C ATOM 621 CG LEU C 41 63.978 4.851 -0.077 1.00 0.00 C ATOM 622 CD1 LEU C 41 64.185 4.379 1.363 1.00 0.00 C ATOM 623 CD2 LEU C 41 62.591 5.485 -0.210 1.00 0.00 C ATOM 0 H LEU C 41 66.910 5.863 -2.038 1.00 0.00 H new ATOM 0 HA LEU C 41 64.133 5.680 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU C 41 66.040 5.461 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU C 41 64.968 6.747 0.228 1.00 0.00 H new ATOM 0 HG LEU C 41 64.057 4.000 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU C 41 63.423 3.642 1.617 1.00 0.00 H new ATOM 0 HD12 LEU C 41 65.173 3.928 1.460 1.00 0.00 H new ATOM 0 HD13 LEU C 41 64.107 5.230 2.040 1.00 0.00 H new ATOM 0 HD21 LEU C 41 61.829 4.749 0.044 1.00 0.00 H new ATOM 0 HD22 LEU C 41 62.514 6.336 0.467 1.00 0.00 H new ATOM 0 HD23 LEU C 41 62.442 5.822 -1.236 1.00 0.00 H new ATOM 635 N GLY C 42 65.157 8.676 -1.378 1.00 0.00 N ATOM 636 CA GLY C 42 64.784 10.085 -1.358 1.00 0.00 C ATOM 637 C GLY C 42 64.251 10.526 -2.717 1.00 0.00 C ATOM 638 O GLY C 42 63.290 11.291 -2.800 1.00 0.00 O ATOM 0 H GLY C 42 66.054 8.468 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.026 10.254 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.649 10.691 -1.088 1.00 0.00 H new ATOM 642 N LYS C 43 64.882 10.040 -3.781 1.00 0.00 N ATOM 643 CA LYS C 43 64.463 10.391 -5.133 1.00 0.00 C ATOM 644 C LYS C 43 62.946 10.303 -5.263 1.00 0.00 C ATOM 645 O LYS C 43 62.322 11.123 -5.938 1.00 0.00 O ATOM 646 CB LYS C 43 65.120 9.450 -6.145 1.00 0.00 C ATOM 647 CG LYS C 43 65.464 10.228 -7.417 1.00 0.00 C ATOM 648 CD LYS C 43 64.188 10.829 -8.009 1.00 0.00 C ATOM 649 CE LYS C 43 64.397 11.103 -9.500 1.00 0.00 C ATOM 650 NZ LYS C 43 63.147 11.670 -10.080 1.00 0.00 N ATOM 0 H LYS C 43 65.680 9.406 -3.734 1.00 0.00 H new ATOM 0 HA LYS C 43 64.775 11.416 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.023 9.013 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.447 8.626 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.180 11.018 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS C 43 65.938 9.567 -8.143 1.00 0.00 H new ATOM 0 HD2 LYS C 43 63.352 10.145 -7.868 1.00 0.00 H new ATOM 0 HD3 LYS C 43 63.934 11.754 -7.491 1.00 0.00 H new ATOM 0 HE2 LYS C 43 65.224 11.799 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS C 43 64.665 10.181 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 63.288 11.857 -11.093 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 62.369 10.991 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 62.911 12.559 -9.594 1.00 0.00 H new ATOM 664 N VAL C 44 62.358 9.303 -4.614 1.00 0.00 N ATOM 665 CA VAL C 44 60.913 9.117 -4.665 1.00 0.00 C ATOM 666 C VAL C 44 60.211 10.118 -3.752 1.00 0.00 C ATOM 667 O VAL C 44 59.123 10.601 -4.065 1.00 0.00 O ATOM 668 CB VAL C 44 60.554 7.694 -4.236 1.00 0.00 C ATOM 669 CG1 VAL C 44 61.671 6.737 -4.656 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.389 7.647 -2.715 1.00 0.00 C ATOM 0 H VAL C 44 62.856 8.614 -4.051 1.00 0.00 H new ATOM 0 HA VAL C 44 60.581 9.282 -5.690 1.00 0.00 H new ATOM 0 HB VAL C 44 59.621 7.395 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL C 44 61.415 5.723 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL C 44 61.791 6.770 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL C 44 62.604 7.035 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.133 6.633 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL C 44 61.323 7.946 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL C 44 59.594 8.329 -2.414 1.00 0.00 H new ATOM 680 N MET C 45 60.841 10.424 -2.622 1.00 0.00 N ATOM 681 CA MET C 45 60.267 11.368 -1.671 1.00 0.00 C ATOM 682 C MET C 45 59.810 12.637 -2.384 1.00 0.00 C ATOM 683 O MET C 45 58.631 12.988 -2.353 1.00 0.00 O ATOM 684 CB MET C 45 61.301 11.726 -0.602 1.00 0.00 C ATOM 685 CG MET C 45 61.344 10.623 0.457 1.00 0.00 C ATOM 686 SD MET C 45 61.765 9.048 -0.330 1.00 0.00 S ATOM 687 CE MET C 45 60.392 8.082 0.346 1.00 0.00 C ATOM 0 H MET C 45 61.742 10.035 -2.344 1.00 0.00 H new ATOM 0 HA MET C 45 59.404 10.899 -1.199 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.284 11.846 -1.058 1.00 0.00 H new ATOM 0 HB3 MET C 45 61.046 12.679 -0.139 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.080 10.868 1.223 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.378 10.546 0.957 1.00 0.00 H new ATOM 0 HE1 MET C 45 60.383 7.093 -0.112 1.00 0.00 H new ATOM 0 HE2 MET C 45 60.514 7.981 1.424 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.451 8.589 0.133 1.00 0.00 H new ATOM 697 N ARG C 46 60.752 13.320 -3.027 1.00 0.00 N ATOM 698 CA ARG C 46 60.434 14.549 -3.745 1.00 0.00 C ATOM 699 C ARG C 46 59.107 14.410 -4.484 1.00 0.00 C ATOM 700 O ARG C 46 58.330 15.361 -4.569 1.00 0.00 O ATOM 701 CB ARG C 46 61.546 14.872 -4.745 1.00 0.00 C ATOM 702 CG ARG C 46 62.839 15.182 -3.989 1.00 0.00 C ATOM 703 CD ARG C 46 63.934 15.567 -4.985 1.00 0.00 C ATOM 704 NE ARG C 46 65.228 15.625 -4.315 1.00 0.00 N ATOM 705 CZ ARG C 46 66.362 15.513 -5.000 1.00 0.00 C ATOM 706 NH1 ARG C 46 66.329 15.348 -6.294 1.00 0.00 N ATOM 707 NH2 ARG C 46 67.508 15.568 -4.378 1.00 0.00 N ATOM 0 H ARG C 46 61.734 13.046 -3.066 1.00 0.00 H new ATOM 0 HA ARG C 46 60.350 15.359 -3.021 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.700 14.029 -5.419 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.259 15.724 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.673 15.995 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG C 46 63.150 14.314 -3.408 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.969 14.840 -5.797 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.705 16.534 -5.433 1.00 0.00 H new ATOM 0 HE ARG C 46 65.264 15.754 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG C 46 65.433 15.305 -6.780 1.00 0.00 H new ATOM 0 HH12 ARG C 46 67.199 15.262 -6.820 1.00 0.00 H new ATOM 0 HH21 ARG C 46 67.534 15.697 -3.366 1.00 0.00 H new ATOM 0 HH22 ARG C 46 68.378 15.482 -4.903 1.00 0.00 H new ATOM 721 N MET C 47 58.854 13.219 -5.017 1.00 0.00 N ATOM 722 CA MET C 47 57.617 12.967 -5.747 1.00 0.00 C ATOM 723 C MET C 47 56.485 12.627 -4.783 1.00 0.00 C ATOM 724 O MET C 47 55.319 12.915 -5.053 1.00 0.00 O ATOM 725 CB MET C 47 57.817 11.812 -6.731 1.00 0.00 C ATOM 726 CG MET C 47 57.077 12.116 -8.034 1.00 0.00 C ATOM 727 SD MET C 47 57.209 10.696 -9.149 1.00 0.00 S ATOM 728 CE MET C 47 56.271 9.525 -8.137 1.00 0.00 C ATOM 0 H MET C 47 59.484 12.419 -4.958 1.00 0.00 H new ATOM 0 HA MET C 47 57.351 13.870 -6.296 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.879 11.669 -6.929 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.446 10.883 -6.298 1.00 0.00 H new ATOM 0 HG2 MET C 47 56.029 12.333 -7.827 1.00 0.00 H new ATOM 0 HG3 MET C 47 57.499 13.003 -8.506 1.00 0.00 H new ATOM 0 HE1 MET C 47 55.621 8.929 -8.778 1.00 0.00 H new ATOM 0 HE2 MET C 47 56.961 8.868 -7.608 1.00 0.00 H new ATOM 0 HE3 MET C 47 55.665 10.072 -7.415 1.00 0.00 H new ATOM 738 N LEU C 48 56.837 12.012 -3.659 1.00 0.00 N ATOM 739 CA LEU C 48 55.842 11.637 -2.661 1.00 0.00 C ATOM 740 C LEU C 48 55.249 12.878 -2.002 1.00 0.00 C ATOM 741 O LEU C 48 54.235 12.800 -1.309 1.00 0.00 O ATOM 742 CB LEU C 48 56.483 10.748 -1.593 1.00 0.00 C ATOM 743 CG LEU C 48 55.503 9.643 -1.194 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.190 8.675 -0.229 1.00 0.00 C ATOM 745 CD2 LEU C 48 54.286 10.266 -0.508 1.00 0.00 C ATOM 0 H LEU C 48 57.796 11.764 -3.417 1.00 0.00 H new ATOM 0 HA LEU C 48 55.044 11.088 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.405 10.310 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU C 48 56.750 11.344 -0.721 1.00 0.00 H new ATOM 0 HG LEU C 48 55.183 9.102 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU C 48 55.492 7.888 0.055 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.059 8.231 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.510 9.215 0.662 1.00 0.00 H new ATOM 0 HD21 LEU C 48 53.587 9.480 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.607 10.806 0.383 1.00 0.00 H new ATOM 0 HD23 LEU C 48 53.796 10.957 -1.194 1.00 0.00 H new ATOM 757 N GLY C 49 55.887 14.022 -2.225 1.00 0.00 N ATOM 758 CA GLY C 49 55.413 15.275 -1.648 1.00 0.00 C ATOM 759 C GLY C 49 56.282 15.694 -0.467 1.00 0.00 C ATOM 760 O GLY C 49 55.884 16.531 0.343 1.00 0.00 O ATOM 0 H GLY C 49 56.727 14.108 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.424 16.057 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.379 15.162 -1.322 1.00 0.00 H new ATOM 764 N GLN C 50 57.470 15.106 -0.375 1.00 0.00 N ATOM 765 CA GLN C 50 58.388 15.426 0.712 1.00 0.00 C ATOM 766 C GLN C 50 59.830 15.424 0.213 1.00 0.00 C ATOM 767 O GLN C 50 60.080 15.462 -0.991 1.00 0.00 O ATOM 768 CB GLN C 50 58.236 14.406 1.842 1.00 0.00 C ATOM 769 CG GLN C 50 56.826 14.501 2.429 1.00 0.00 C ATOM 770 CD GLN C 50 56.668 13.502 3.570 1.00 0.00 C ATOM 771 OE1 GLN C 50 57.481 12.590 3.715 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.663 13.621 4.394 1.00 0.00 N ATOM 0 H GLN C 50 57.818 14.410 -1.035 1.00 0.00 H new ATOM 0 HA GLN C 50 58.146 16.421 1.086 1.00 0.00 H new ATOM 0 HB2 GLN C 50 58.417 13.400 1.465 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.978 14.594 2.618 1.00 0.00 H new ATOM 0 HG2 GLN C 50 56.642 15.512 2.792 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.086 14.301 1.654 1.00 0.00 H new ATOM 0 HE21 GLN C 50 54.990 14.378 4.272 1.00 0.00 H new ATOM 0 HE22 GLN C 50 55.550 12.957 5.160 1.00 0.00 H new ATOM 781 N ASN C 51 60.774 15.381 1.148 1.00 0.00 N ATOM 782 CA ASN C 51 62.188 15.375 0.791 1.00 0.00 C ATOM 783 C ASN C 51 63.056 15.271 2.040 1.00 0.00 C ATOM 784 O ASN C 51 63.574 16.273 2.535 1.00 0.00 O ATOM 785 CB ASN C 51 62.539 16.653 0.027 1.00 0.00 C ATOM 786 CG ASN C 51 61.696 17.815 0.540 1.00 0.00 C ATOM 787 OD1 ASN C 51 61.436 18.767 -0.195 1.00 0.00 O ATOM 788 ND2 ASN C 51 61.251 17.794 1.767 1.00 0.00 N ATOM 0 H ASN C 51 60.588 15.350 2.150 1.00 0.00 H new ATOM 0 HA ASN C 51 62.380 14.509 0.157 1.00 0.00 H new ATOM 0 HB2 ASN C 51 63.598 16.880 0.148 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.364 16.509 -1.039 1.00 0.00 H new ATOM 0 HD21 ASN C 51 60.687 18.568 2.118 1.00 0.00 H new ATOM 0 HD22 ASN C 51 61.468 17.004 2.375 1.00 0.00 H new ATOM 795 N PRO C 52 63.221 14.082 2.551 1.00 0.00 N ATOM 796 CA PRO C 52 64.043 13.832 3.769 1.00 0.00 C ATOM 797 C PRO C 52 65.539 13.947 3.487 1.00 0.00 C ATOM 798 O PRO C 52 65.984 13.750 2.356 1.00 0.00 O ATOM 799 CB PRO C 52 63.671 12.404 4.170 1.00 0.00 C ATOM 800 CG PRO C 52 63.216 11.742 2.911 1.00 0.00 C ATOM 801 CD PRO C 52 62.637 12.841 2.018 1.00 0.00 C ATOM 0 HA PRO C 52 63.847 14.564 4.553 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.525 11.882 4.601 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.882 12.400 4.922 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.047 11.240 2.416 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.465 10.981 3.124 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.908 12.690 0.973 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.548 12.861 2.065 1.00 0.00 H new ATOM 809 N THR C 53 66.309 14.267 4.522 1.00 0.00 N ATOM 810 CA THR C 53 67.753 14.406 4.373 1.00 0.00 C ATOM 811 C THR C 53 68.421 13.035 4.333 1.00 0.00 C ATOM 812 O THR C 53 67.813 12.025 4.686 1.00 0.00 O ATOM 813 CB THR C 53 68.323 15.220 5.537 1.00 0.00 C ATOM 814 OG1 THR C 53 67.380 15.246 6.600 1.00 0.00 O ATOM 815 CG2 THR C 53 68.609 16.648 5.071 1.00 0.00 C ATOM 0 H THR C 53 65.961 14.434 5.466 1.00 0.00 H new ATOM 0 HA THR C 53 67.955 14.924 3.435 1.00 0.00 H new ATOM 0 HB THR C 53 69.249 14.761 5.883 1.00 0.00 H new ATOM 0 HG1 THR C 53 67.744 15.765 7.347 1.00 0.00 H new ATOM 0 HG21 THR C 53 69.015 17.227 5.901 1.00 0.00 H new ATOM 0 HG22 THR C 53 69.332 16.627 4.255 1.00 0.00 H new ATOM 0 HG23 THR C 53 67.684 17.110 4.724 1.00 0.00 H new ATOM 823 N PRO C 54 69.655 12.990 3.911 1.00 0.00 N ATOM 824 CA PRO C 54 70.432 11.720 3.819 1.00 0.00 C ATOM 825 C PRO C 54 70.827 11.188 5.194 1.00 0.00 C ATOM 826 O PRO C 54 71.125 10.004 5.350 1.00 0.00 O ATOM 827 CB PRO C 54 71.669 12.108 3.007 1.00 0.00 C ATOM 828 CG PRO C 54 71.839 13.576 3.215 1.00 0.00 C ATOM 829 CD PRO C 54 70.445 14.151 3.473 1.00 0.00 C ATOM 0 HA PRO C 54 69.853 10.918 3.361 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.548 11.559 3.345 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.534 11.874 1.951 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.500 13.773 4.059 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.293 14.040 2.339 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.469 14.928 4.237 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.027 14.602 2.573 1.00 0.00 H new ATOM 837 N GLU C 55 70.828 12.072 6.187 1.00 0.00 N ATOM 838 CA GLU C 55 71.188 11.680 7.545 1.00 0.00 C ATOM 839 C GLU C 55 70.002 11.028 8.247 1.00 0.00 C ATOM 840 O GLU C 55 70.175 10.186 9.128 1.00 0.00 O ATOM 841 CB GLU C 55 71.642 12.906 8.339 1.00 0.00 C ATOM 842 CG GLU C 55 72.917 13.477 7.714 1.00 0.00 C ATOM 843 CD GLU C 55 73.391 14.687 8.510 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.651 15.132 9.372 1.00 0.00 O ATOM 845 OE2 GLU C 55 74.488 15.152 8.247 1.00 0.00 O ATOM 0 H GLU C 55 70.586 13.057 6.078 1.00 0.00 H new ATOM 0 HA GLU C 55 72.004 10.959 7.491 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.856 13.661 8.342 1.00 0.00 H new ATOM 0 HB3 GLU C 55 71.825 12.632 9.378 1.00 0.00 H new ATOM 0 HG2 GLU C 55 73.696 12.715 7.697 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.728 13.763 6.679 1.00 0.00 H new ATOM 852 N GLU C 56 68.796 11.422 7.849 1.00 0.00 N ATOM 853 CA GLU C 56 67.587 10.868 8.447 1.00 0.00 C ATOM 854 C GLU C 56 67.081 9.681 7.634 1.00 0.00 C ATOM 855 O GLU C 56 66.693 8.655 8.191 1.00 0.00 O ATOM 856 CB GLU C 56 66.499 11.942 8.515 1.00 0.00 C ATOM 857 CG GLU C 56 65.320 11.424 9.340 1.00 0.00 C ATOM 858 CD GLU C 56 64.217 12.475 9.391 1.00 0.00 C ATOM 859 OE1 GLU C 56 64.405 13.531 8.810 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.200 12.209 10.011 1.00 0.00 O ATOM 0 H GLU C 56 68.631 12.117 7.121 1.00 0.00 H new ATOM 0 HA GLU C 56 67.826 10.528 9.454 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.899 12.851 8.964 1.00 0.00 H new ATOM 0 HB3 GLU C 56 66.167 12.202 7.510 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.936 10.503 8.902 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.651 11.183 10.350 1.00 0.00 H new ATOM 867 N LEU C 57 67.090 9.828 6.313 1.00 0.00 N ATOM 868 CA LEU C 57 66.630 8.761 5.432 1.00 0.00 C ATOM 869 C LEU C 57 67.005 7.397 6.003 1.00 0.00 C ATOM 870 O LEU C 57 66.195 6.470 6.003 1.00 0.00 O ATOM 871 CB LEU C 57 67.252 8.924 4.044 1.00 0.00 C ATOM 872 CG LEU C 57 66.349 8.269 2.999 1.00 0.00 C ATOM 873 CD1 LEU C 57 65.068 7.770 3.671 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.991 9.294 1.921 1.00 0.00 C ATOM 0 H LEU C 57 67.408 10.669 5.832 1.00 0.00 H new ATOM 0 HA LEU C 57 65.545 8.824 5.352 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.383 9.982 3.815 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.242 8.468 4.022 1.00 0.00 H new ATOM 0 HG LEU C 57 66.872 7.428 2.544 1.00 0.00 H new ATOM 0 HD11 LEU C 57 64.424 7.303 2.926 1.00 0.00 H new ATOM 0 HD12 LEU C 57 65.321 7.040 4.440 1.00 0.00 H new ATOM 0 HD13 LEU C 57 64.545 8.611 4.127 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.347 8.828 1.175 1.00 0.00 H new ATOM 0 HD22 LEU C 57 65.468 10.135 2.377 1.00 0.00 H new ATOM 0 HD23 LEU C 57 66.902 9.651 1.441 1.00 0.00 H new ATOM 886 N GLN C 58 68.237 7.282 6.488 1.00 0.00 N ATOM 887 CA GLN C 58 68.708 6.026 7.059 1.00 0.00 C ATOM 888 C GLN C 58 67.617 5.379 7.906 1.00 0.00 C ATOM 889 O GLN C 58 67.487 4.156 7.939 1.00 0.00 O ATOM 890 CB GLN C 58 69.946 6.277 7.923 1.00 0.00 C ATOM 891 CG GLN C 58 69.553 7.101 9.151 1.00 0.00 C ATOM 892 CD GLN C 58 70.803 7.618 9.854 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.758 8.034 9.199 1.00 0.00 O ATOM 894 NE2 GLN C 58 70.855 7.615 11.158 1.00 0.00 N ATOM 0 H GLN C 58 68.923 8.037 6.497 1.00 0.00 H new ATOM 0 HA GLN C 58 68.965 5.352 6.242 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.384 5.328 8.233 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.705 6.805 7.345 1.00 0.00 H new ATOM 0 HG2 GLN C 58 68.922 7.938 8.851 1.00 0.00 H new ATOM 0 HG3 GLN C 58 68.967 6.490 9.837 1.00 0.00 H new ATOM 0 HE21 GLN C 58 70.062 7.270 11.699 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.688 7.958 11.636 1.00 0.00 H new ATOM 903 N GLU C 59 66.834 6.209 8.587 1.00 0.00 N ATOM 904 CA GLU C 59 65.756 5.707 9.431 1.00 0.00 C ATOM 905 C GLU C 59 64.842 4.779 8.637 1.00 0.00 C ATOM 906 O GLU C 59 64.388 3.754 9.146 1.00 0.00 O ATOM 907 CB GLU C 59 64.941 6.876 9.988 1.00 0.00 C ATOM 908 CG GLU C 59 63.905 6.348 10.983 1.00 0.00 C ATOM 909 CD GLU C 59 64.591 5.941 12.283 1.00 0.00 C ATOM 910 OE1 GLU C 59 65.677 6.436 12.537 1.00 0.00 O ATOM 911 OE2 GLU C 59 64.021 5.139 13.004 1.00 0.00 O ATOM 0 H GLU C 59 66.924 7.225 8.572 1.00 0.00 H new ATOM 0 HA GLU C 59 66.196 5.146 10.256 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.601 7.592 10.479 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.444 7.406 9.176 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.156 7.114 11.182 1.00 0.00 H new ATOM 0 HG3 GLU C 59 63.381 5.493 10.556 1.00 0.00 H new ATOM 918 N MET C 60 64.576 5.146 7.388 1.00 0.00 N ATOM 919 CA MET C 60 63.715 4.338 6.532 1.00 0.00 C ATOM 920 C MET C 60 64.393 3.017 6.183 1.00 0.00 C ATOM 921 O MET C 60 63.740 2.070 5.746 1.00 0.00 O ATOM 922 CB MET C 60 63.391 5.103 5.247 1.00 0.00 C ATOM 923 CG MET C 60 62.095 4.560 4.642 1.00 0.00 C ATOM 924 SD MET C 60 60.681 5.190 5.581 1.00 0.00 S ATOM 925 CE MET C 60 60.315 6.606 4.515 1.00 0.00 C ATOM 0 H MET C 60 64.941 5.991 6.948 1.00 0.00 H new ATOM 0 HA MET C 60 62.792 4.127 7.072 1.00 0.00 H new ATOM 0 HB2 MET C 60 63.287 6.167 5.461 1.00 0.00 H new ATOM 0 HB3 MET C 60 64.209 5.000 4.534 1.00 0.00 H new ATOM 0 HG2 MET C 60 62.015 4.861 3.597 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.101 3.470 4.660 1.00 0.00 H new ATOM 0 HE1 MET C 60 59.459 7.150 4.914 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.180 7.268 4.479 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.085 6.254 3.509 1.00 0.00 H new ATOM 935 N ILE C 61 65.706 2.962 6.379 1.00 0.00 N ATOM 936 CA ILE C 61 66.463 1.751 6.082 1.00 0.00 C ATOM 937 C ILE C 61 66.793 0.997 7.366 1.00 0.00 C ATOM 938 O ILE C 61 66.762 -0.234 7.399 1.00 0.00 O ATOM 939 CB ILE C 61 67.757 2.111 5.352 1.00 0.00 C ATOM 940 CG1 ILE C 61 68.897 2.230 6.366 1.00 0.00 C ATOM 941 CG2 ILE C 61 67.581 3.446 4.626 1.00 0.00 C ATOM 942 CD1 ILE C 61 69.409 0.834 6.726 1.00 0.00 C ATOM 0 H ILE C 61 66.265 3.735 6.739 1.00 0.00 H new ATOM 0 HA ILE C 61 65.853 1.110 5.445 1.00 0.00 H new ATOM 0 HB ILE C 61 67.993 1.332 4.627 1.00 0.00 H new ATOM 0 HG12 ILE C 61 69.707 2.830 5.950 1.00 0.00 H new ATOM 0 HG13 ILE C 61 68.548 2.743 7.262 1.00 0.00 H new ATOM 0 HG21 ILE C 61 68.504 3.702 4.106 1.00 0.00 H new ATOM 0 HG22 ILE C 61 66.769 3.363 3.904 1.00 0.00 H new ATOM 0 HG23 ILE C 61 67.345 4.226 5.350 1.00 0.00 H new ATOM 0 HD11 ILE C 61 70.221 0.919 7.448 1.00 0.00 H new ATOM 0 HD12 ILE C 61 68.598 0.249 7.160 1.00 0.00 H new ATOM 0 HD13 ILE C 61 69.774 0.337 5.827 1.00 0.00 H new ATOM 954 N ASP C 62 67.108 1.742 8.420 1.00 0.00 N ATOM 955 CA ASP C 62 67.442 1.132 9.702 1.00 0.00 C ATOM 956 C ASP C 62 66.196 0.549 10.359 1.00 0.00 C ATOM 957 O ASP C 62 66.289 -0.230 11.308 1.00 0.00 O ATOM 958 CB ASP C 62 68.071 2.175 10.628 1.00 0.00 C ATOM 959 CG ASP C 62 68.552 1.508 11.912 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.666 1.010 11.917 1.00 0.00 O ATOM 961 OD2 ASP C 62 67.800 1.505 12.873 1.00 0.00 O ATOM 0 H ASP C 62 67.139 2.762 8.413 1.00 0.00 H new ATOM 0 HA ASP C 62 68.155 0.327 9.526 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.907 2.662 10.126 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.343 2.952 10.862 1.00 0.00 H new ATOM 966 N GLU C 63 65.030 0.933 9.850 1.00 0.00 N ATOM 967 CA GLU C 63 63.770 0.442 10.396 1.00 0.00 C ATOM 968 C GLU C 63 63.554 -1.020 10.016 1.00 0.00 C ATOM 969 O GLU C 63 62.743 -1.716 10.626 1.00 0.00 O ATOM 970 CB GLU C 63 62.608 1.285 9.868 1.00 0.00 C ATOM 971 CG GLU C 63 61.324 0.906 10.609 1.00 0.00 C ATOM 972 CD GLU C 63 60.142 1.680 10.034 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.352 2.431 9.095 1.00 0.00 O ATOM 974 OE2 GLU C 63 59.046 1.512 10.541 1.00 0.00 O ATOM 0 H GLU C 63 64.931 1.578 9.066 1.00 0.00 H new ATOM 0 HA GLU C 63 63.812 0.521 11.482 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.821 2.345 10.007 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.484 1.122 8.797 1.00 0.00 H new ATOM 0 HG2 GLU C 63 61.146 -0.166 10.520 1.00 0.00 H new ATOM 0 HG3 GLU C 63 61.430 1.124 11.672 1.00 0.00 H new ATOM 981 N VAL C 64 64.286 -1.477 9.005 1.00 0.00 N ATOM 982 CA VAL C 64 64.167 -2.858 8.552 1.00 0.00 C ATOM 983 C VAL C 64 65.520 -3.390 8.091 1.00 0.00 C ATOM 984 O VAL C 64 65.633 -3.975 7.014 1.00 0.00 O ATOM 985 CB VAL C 64 63.163 -2.945 7.401 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.757 -2.653 7.926 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.529 -1.917 6.328 1.00 0.00 C ATOM 0 H VAL C 64 64.963 -0.916 8.487 1.00 0.00 H new ATOM 0 HA VAL C 64 63.817 -3.465 9.387 1.00 0.00 H new ATOM 0 HB VAL C 64 63.189 -3.946 6.971 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.042 -2.715 7.106 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.495 -3.384 8.691 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.730 -1.652 8.356 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.814 -1.978 5.507 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.502 -0.916 6.759 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.531 -2.124 5.953 1.00 0.00 H new ATOM 997 N ASP C 65 66.543 -3.182 8.914 1.00 0.00 N ATOM 998 CA ASP C 65 67.885 -3.646 8.580 1.00 0.00 C ATOM 999 C ASP C 65 68.324 -4.750 9.536 1.00 0.00 C ATOM 1000 O ASP C 65 69.016 -4.492 10.521 1.00 0.00 O ATOM 1001 CB ASP C 65 68.873 -2.481 8.654 1.00 0.00 C ATOM 1002 CG ASP C 65 70.245 -2.929 8.161 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.557 -4.098 8.319 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.964 -2.097 7.633 1.00 0.00 O ATOM 0 H ASP C 65 66.470 -2.699 9.810 1.00 0.00 H new ATOM 0 HA ASP C 65 67.869 -4.045 7.566 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.513 -1.649 8.048 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.946 -2.120 9.680 1.00 0.00 H new ATOM 1009 N GLU C 66 67.916 -5.979 9.239 1.00 0.00 N ATOM 1010 CA GLU C 66 68.273 -7.116 10.081 1.00 0.00 C ATOM 1011 C GLU C 66 69.469 -7.861 9.496 1.00 0.00 C ATOM 1012 O GLU C 66 69.584 -9.078 9.638 1.00 0.00 O ATOM 1013 CB GLU C 66 67.084 -8.071 10.201 1.00 0.00 C ATOM 1014 CG GLU C 66 67.221 -8.899 11.480 1.00 0.00 C ATOM 1015 CD GLU C 66 66.111 -9.941 11.548 1.00 0.00 C ATOM 1016 OE1 GLU C 66 65.316 -9.993 10.623 1.00 0.00 O ATOM 1017 OE2 GLU C 66 66.071 -10.673 12.523 1.00 0.00 O ATOM 0 H GLU C 66 67.343 -6.213 8.429 1.00 0.00 H new ATOM 0 HA GLU C 66 68.540 -6.742 11.070 1.00 0.00 H new ATOM 0 HB2 GLU C 66 66.151 -7.507 10.219 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.043 -8.728 9.332 1.00 0.00 H new ATOM 0 HG2 GLU C 66 68.194 -9.390 11.503 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.173 -8.247 12.352 1.00 0.00 H new ATOM 1024 N ASP C 67 70.356 -7.121 8.838 1.00 0.00 N ATOM 1025 CA ASP C 67 71.540 -7.723 8.236 1.00 0.00 C ATOM 1026 C ASP C 67 72.772 -6.864 8.502 1.00 0.00 C ATOM 1027 O ASP C 67 73.903 -7.345 8.435 1.00 0.00 O ATOM 1028 CB ASP C 67 71.338 -7.875 6.727 1.00 0.00 C ATOM 1029 CG ASP C 67 71.123 -6.506 6.089 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.360 -5.517 6.763 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.726 -6.468 4.937 1.00 0.00 O ATOM 0 H ASP C 67 70.279 -6.112 8.709 1.00 0.00 H new ATOM 0 HA ASP C 67 71.693 -8.705 8.683 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.207 -8.360 6.282 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.479 -8.516 6.529 1.00 0.00 H new ATOM 1036 N GLY C 68 72.545 -5.590 8.805 1.00 0.00 N ATOM 1037 CA GLY C 68 73.644 -4.673 9.080 1.00 0.00 C ATOM 1038 C GLY C 68 74.178 -4.061 7.790 1.00 0.00 C ATOM 1039 O GLY C 68 74.729 -2.959 7.796 1.00 0.00 O ATOM 0 H GLY C 68 71.617 -5.172 8.866 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.304 -3.882 9.749 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.445 -5.203 9.594 1.00 0.00 H new ATOM 1043 N SER C 69 74.012 -4.781 6.686 1.00 0.00 N ATOM 1044 CA SER C 69 74.482 -4.299 5.393 1.00 0.00 C ATOM 1045 C SER C 69 74.318 -2.785 5.294 1.00 0.00 C ATOM 1046 O SER C 69 75.260 -2.070 4.955 1.00 0.00 O ATOM 1047 CB SER C 69 73.698 -4.973 4.267 1.00 0.00 C ATOM 1048 OG SER C 69 72.518 -4.225 4.003 1.00 0.00 O ATOM 0 H SER C 69 73.559 -5.694 6.660 1.00 0.00 H new ATOM 0 HA SER C 69 75.539 -4.546 5.297 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.311 -5.036 3.368 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.440 -5.994 4.549 1.00 0.00 H new ATOM 0 HG SER C 69 71.731 -4.773 4.205 1.00 0.00 H new ATOM 1054 N GLY C 70 73.115 -2.306 5.591 1.00 0.00 N ATOM 1055 CA GLY C 70 72.838 -0.875 5.532 1.00 0.00 C ATOM 1056 C GLY C 70 71.784 -0.567 4.474 1.00 0.00 C ATOM 1057 O GLY C 70 70.961 0.331 4.647 1.00 0.00 O ATOM 0 H GLY C 70 72.322 -2.882 5.873 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.494 -0.527 6.506 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.756 -0.332 5.306 1.00 0.00 H new ATOM 1061 N THR C 71 71.816 -1.319 3.379 1.00 0.00 N ATOM 1062 CA THR C 71 70.858 -1.118 2.298 1.00 0.00 C ATOM 1063 C THR C 71 69.653 -2.037 2.472 1.00 0.00 C ATOM 1064 O THR C 71 69.736 -3.063 3.146 1.00 0.00 O ATOM 1065 CB THR C 71 71.526 -1.398 0.949 1.00 0.00 C ATOM 1066 OG1 THR C 71 70.643 -1.025 -0.100 1.00 0.00 O ATOM 1067 CG2 THR C 71 71.853 -2.888 0.839 1.00 0.00 C ATOM 0 H THR C 71 72.489 -2.068 3.217 1.00 0.00 H new ATOM 0 HA THR C 71 70.518 -0.083 2.327 1.00 0.00 H new ATOM 0 HB THR C 71 72.447 -0.821 0.872 1.00 0.00 H new ATOM 0 HG1 THR C 71 70.615 -0.048 -0.172 1.00 0.00 H new ATOM 0 HG21 THR C 71 72.328 -3.086 -0.122 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.530 -3.172 1.645 1.00 0.00 H new ATOM 0 HG23 THR C 71 70.934 -3.469 0.916 1.00 0.00 H new ATOM 1075 N VAL C 72 68.535 -1.661 1.860 1.00 0.00 N ATOM 1076 CA VAL C 72 67.319 -2.460 1.954 1.00 0.00 C ATOM 1077 C VAL C 72 67.134 -3.306 0.699 1.00 0.00 C ATOM 1078 O VAL C 72 67.579 -2.931 -0.386 1.00 0.00 O ATOM 1079 CB VAL C 72 66.107 -1.545 2.138 1.00 0.00 C ATOM 1080 CG1 VAL C 72 66.577 -0.096 2.278 1.00 0.00 C ATOM 1081 CG2 VAL C 72 65.188 -1.667 0.920 1.00 0.00 C ATOM 0 H VAL C 72 68.446 -0.815 1.298 1.00 0.00 H new ATOM 0 HA VAL C 72 67.408 -3.123 2.814 1.00 0.00 H new ATOM 0 HB VAL C 72 65.563 -1.838 3.036 1.00 0.00 H new ATOM 0 HG11 VAL C 72 65.713 0.556 2.409 1.00 0.00 H new ATOM 0 HG12 VAL C 72 67.233 -0.008 3.144 1.00 0.00 H new ATOM 0 HG13 VAL C 72 67.121 0.198 1.380 1.00 0.00 H new ATOM 0 HG21 VAL C 72 64.324 -1.016 1.050 1.00 0.00 H new ATOM 0 HG22 VAL C 72 65.732 -1.373 0.023 1.00 0.00 H new ATOM 0 HG23 VAL C 72 64.852 -2.699 0.819 1.00 0.00 H new ATOM 1091 N ASP C 73 66.475 -4.450 0.855 1.00 0.00 N ATOM 1092 CA ASP C 73 66.237 -5.343 -0.274 1.00 0.00 C ATOM 1093 C ASP C 73 64.799 -5.850 -0.261 1.00 0.00 C ATOM 1094 O ASP C 73 63.997 -5.451 0.584 1.00 0.00 O ATOM 1095 CB ASP C 73 67.200 -6.530 -0.213 1.00 0.00 C ATOM 1096 CG ASP C 73 68.639 -6.042 -0.343 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.834 -4.982 -0.915 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.524 -6.735 0.130 1.00 0.00 O ATOM 0 H ASP C 73 66.099 -4.779 1.744 1.00 0.00 H new ATOM 0 HA ASP C 73 66.406 -4.786 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.072 -7.064 0.728 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.973 -7.235 -1.013 1.00 0.00 H new ATOM 1103 N PHE C 74 64.479 -6.732 -1.202 1.00 0.00 N ATOM 1104 CA PHE C 74 63.134 -7.288 -1.289 1.00 0.00 C ATOM 1105 C PHE C 74 62.739 -7.945 0.029 1.00 0.00 C ATOM 1106 O PHE C 74 61.561 -8.200 0.279 1.00 0.00 O ATOM 1107 CB PHE C 74 63.066 -8.319 -2.417 1.00 0.00 C ATOM 1108 CG PHE C 74 64.234 -8.120 -3.352 1.00 0.00 C ATOM 1109 CD1 PHE C 74 65.534 -8.414 -2.922 1.00 0.00 C ATOM 1110 CD2 PHE C 74 64.018 -7.642 -4.650 1.00 0.00 C ATOM 1111 CE1 PHE C 74 66.617 -8.230 -3.790 1.00 0.00 C ATOM 1112 CE2 PHE C 74 65.101 -7.457 -5.518 1.00 0.00 C ATOM 1113 CZ PHE C 74 66.401 -7.751 -5.088 1.00 0.00 C ATOM 0 H PHE C 74 65.128 -7.075 -1.910 1.00 0.00 H new ATOM 0 HA PHE C 74 62.439 -6.475 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.085 -9.327 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE C 74 62.128 -8.216 -2.963 1.00 0.00 H new ATOM 0 HD1 PHE C 74 65.701 -8.783 -1.921 1.00 0.00 H new ATOM 0 HD2 PHE C 74 63.015 -7.416 -4.982 1.00 0.00 H new ATOM 0 HE1 PHE C 74 67.619 -8.458 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE C 74 64.934 -7.088 -6.519 1.00 0.00 H new ATOM 0 HZ PHE C 74 67.237 -7.608 -5.757 1.00 0.00 H new ATOM 1123 N ASP C 75 63.732 -8.218 0.869 1.00 0.00 N ATOM 1124 CA ASP C 75 63.477 -8.846 2.160 1.00 0.00 C ATOM 1125 C ASP C 75 63.126 -7.795 3.208 1.00 0.00 C ATOM 1126 O ASP C 75 62.112 -7.907 3.898 1.00 0.00 O ATOM 1127 CB ASP C 75 64.711 -9.629 2.613 1.00 0.00 C ATOM 1128 CG ASP C 75 64.405 -10.385 3.902 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.251 -10.399 4.297 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.330 -10.938 4.475 1.00 0.00 O ATOM 0 H ASP C 75 64.714 -8.016 0.681 1.00 0.00 H new ATOM 0 HA ASP C 75 62.634 -9.528 2.050 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.014 -10.329 1.834 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.547 -8.947 2.771 1.00 0.00 H new ATOM 1135 N GLU C 76 63.971 -6.775 3.322 1.00 0.00 N ATOM 1136 CA GLU C 76 63.739 -5.710 4.290 1.00 0.00 C ATOM 1137 C GLU C 76 62.654 -4.760 3.793 1.00 0.00 C ATOM 1138 O GLU C 76 61.773 -4.356 4.552 1.00 0.00 O ATOM 1139 CB GLU C 76 65.034 -4.929 4.528 1.00 0.00 C ATOM 1140 CG GLU C 76 66.099 -5.868 5.096 1.00 0.00 C ATOM 1141 CD GLU C 76 67.427 -5.131 5.228 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.467 -3.958 4.894 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.386 -5.750 5.660 1.00 0.00 O ATOM 0 H GLU C 76 64.816 -6.664 2.761 1.00 0.00 H new ATOM 0 HA GLU C 76 63.410 -6.161 5.226 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.383 -4.489 3.594 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.853 -4.106 5.220 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.783 -6.243 6.070 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.217 -6.734 4.444 1.00 0.00 H new ATOM 1150 N PHE C 77 62.725 -4.407 2.513 1.00 0.00 N ATOM 1151 CA PHE C 77 61.743 -3.504 1.925 1.00 0.00 C ATOM 1152 C PHE C 77 60.327 -4.005 2.191 1.00 0.00 C ATOM 1153 O PHE C 77 59.516 -3.307 2.800 1.00 0.00 O ATOM 1154 CB PHE C 77 61.972 -3.393 0.416 1.00 0.00 C ATOM 1155 CG PHE C 77 60.869 -2.569 -0.202 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.762 -1.206 0.097 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.952 -3.169 -1.074 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.739 -0.441 -0.477 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.929 -2.404 -1.648 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.822 -1.041 -1.349 1.00 0.00 C ATOM 0 H PHE C 77 63.446 -4.730 1.868 1.00 0.00 H new ATOM 0 HA PHE C 77 61.861 -2.522 2.383 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.940 -2.932 0.217 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.994 -4.386 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.469 -0.744 0.771 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.034 -4.221 -1.304 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.657 0.611 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.222 -2.866 -2.322 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.032 -0.452 -1.791 1.00 0.00 H new ATOM 1170 N LEU C 78 60.037 -5.217 1.730 1.00 0.00 N ATOM 1171 CA LEU C 78 58.715 -5.802 1.924 1.00 0.00 C ATOM 1172 C LEU C 78 58.185 -5.477 3.317 1.00 0.00 C ATOM 1173 O LEU C 78 57.154 -4.820 3.462 1.00 0.00 O ATOM 1174 CB LEU C 78 58.783 -7.319 1.743 1.00 0.00 C ATOM 1175 CG LEU C 78 58.985 -7.648 0.263 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.419 -9.107 0.117 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.671 -7.430 -0.491 1.00 0.00 C ATOM 0 H LEU C 78 60.694 -5.810 1.223 1.00 0.00 H new ATOM 0 HA LEU C 78 58.038 -5.378 1.182 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.602 -7.730 2.333 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.865 -7.781 2.107 1.00 0.00 H new ATOM 0 HG LEU C 78 59.756 -6.998 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU C 78 59.563 -9.340 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.355 -9.264 0.654 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.650 -9.759 0.531 1.00 0.00 H new ATOM 0 HD21 LEU C 78 57.814 -7.664 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.901 -8.080 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.361 -6.390 -0.389 1.00 0.00 H new ATOM 1189 N VAL C 79 58.897 -5.942 4.339 1.00 0.00 N ATOM 1190 CA VAL C 79 58.488 -5.695 5.717 1.00 0.00 C ATOM 1191 C VAL C 79 58.141 -4.224 5.917 1.00 0.00 C ATOM 1192 O VAL C 79 57.126 -3.893 6.530 1.00 0.00 O ATOM 1193 CB VAL C 79 59.614 -6.090 6.674 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.264 -5.632 8.091 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.784 -7.611 6.659 1.00 0.00 C ATOM 0 H VAL C 79 59.753 -6.488 4.240 1.00 0.00 H new ATOM 0 HA VAL C 79 57.604 -6.297 5.928 1.00 0.00 H new ATOM 0 HB VAL C 79 60.543 -5.616 6.358 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.066 -5.913 8.773 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.141 -4.549 8.103 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.335 -6.107 8.408 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.586 -7.894 7.341 1.00 0.00 H new ATOM 0 HG22 VAL C 79 58.855 -8.084 6.976 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.033 -7.939 5.650 1.00 0.00 H new ATOM 1205 N MET C 80 58.990 -3.344 5.396 1.00 0.00 N ATOM 1206 CA MET C 80 58.762 -1.909 5.524 1.00 0.00 C ATOM 1207 C MET C 80 57.332 -1.556 5.129 1.00 0.00 C ATOM 1208 O MET C 80 56.824 -0.493 5.484 1.00 0.00 O ATOM 1209 CB MET C 80 59.744 -1.143 4.635 1.00 0.00 C ATOM 1210 CG MET C 80 59.687 0.347 4.976 1.00 0.00 C ATOM 1211 SD MET C 80 60.549 1.293 3.696 1.00 0.00 S ATOM 1212 CE MET C 80 59.143 1.487 2.573 1.00 0.00 C ATOM 0 H MET C 80 59.836 -3.596 4.885 1.00 0.00 H new ATOM 0 HA MET C 80 58.919 -1.627 6.565 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.755 -1.522 4.782 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.496 -1.296 3.585 1.00 0.00 H new ATOM 0 HG2 MET C 80 58.650 0.675 5.049 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.147 0.526 5.948 1.00 0.00 H new ATOM 0 HE1 MET C 80 59.412 2.170 1.767 1.00 0.00 H new ATOM 0 HE2 MET C 80 58.877 0.517 2.153 1.00 0.00 H new ATOM 0 HE3 MET C 80 58.292 1.891 3.122 1.00 0.00 H new ATOM 1222 N MET C 81 56.688 -2.455 4.392 1.00 0.00 N ATOM 1223 CA MET C 81 55.316 -2.228 3.954 1.00 0.00 C ATOM 1224 C MET C 81 54.328 -2.786 4.973 1.00 0.00 C ATOM 1225 O MET C 81 53.378 -2.110 5.366 1.00 0.00 O ATOM 1226 CB MET C 81 55.083 -2.895 2.597 1.00 0.00 C ATOM 1227 CG MET C 81 54.847 -1.821 1.533 1.00 0.00 C ATOM 1228 SD MET C 81 56.319 -0.776 1.393 1.00 0.00 S ATOM 1229 CE MET C 81 55.516 0.799 1.776 1.00 0.00 C ATOM 0 H MET C 81 57.091 -3.341 4.087 1.00 0.00 H new ATOM 0 HA MET C 81 55.158 -1.153 3.862 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.945 -3.506 2.327 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.223 -3.563 2.651 1.00 0.00 H new ATOM 0 HG2 MET C 81 54.626 -2.287 0.573 1.00 0.00 H new ATOM 0 HG3 MET C 81 53.981 -1.214 1.799 1.00 0.00 H new ATOM 0 HE1 MET C 81 56.157 1.621 1.458 1.00 0.00 H new ATOM 0 HE2 MET C 81 54.563 0.859 1.251 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.344 0.868 2.850 1.00 0.00 H new ATOM 1239 N VAL C 82 54.560 -4.024 5.398 1.00 0.00 N ATOM 1240 CA VAL C 82 53.684 -4.664 6.372 1.00 0.00 C ATOM 1241 C VAL C 82 53.591 -3.823 7.642 1.00 0.00 C ATOM 1242 O VAL C 82 52.524 -3.707 8.244 1.00 0.00 O ATOM 1243 CB VAL C 82 54.215 -6.056 6.717 1.00 0.00 C ATOM 1244 CG1 VAL C 82 54.876 -6.672 5.483 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.246 -5.943 7.843 1.00 0.00 C ATOM 0 H VAL C 82 55.342 -4.600 5.086 1.00 0.00 H new ATOM 0 HA VAL C 82 52.689 -4.753 5.935 1.00 0.00 H new ATOM 0 HB VAL C 82 53.389 -6.689 7.040 1.00 0.00 H new ATOM 0 HG11 VAL C 82 55.254 -7.664 5.730 1.00 0.00 H new ATOM 0 HG12 VAL C 82 54.144 -6.752 4.680 1.00 0.00 H new ATOM 0 HG13 VAL C 82 55.702 -6.039 5.159 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.625 -6.935 8.090 1.00 0.00 H new ATOM 0 HG22 VAL C 82 56.071 -5.309 7.518 1.00 0.00 H new ATOM 0 HG23 VAL C 82 54.776 -5.505 8.724 1.00 0.00 H new ATOM 1255 N ARG C 83 54.716 -3.240 8.043 1.00 0.00 N ATOM 1256 CA ARG C 83 54.750 -2.412 9.243 1.00 0.00 C ATOM 1257 C ARG C 83 53.802 -1.226 9.103 1.00 0.00 C ATOM 1258 O ARG C 83 53.220 -0.763 10.084 1.00 0.00 O ATOM 1259 CB ARG C 83 56.172 -1.906 9.489 1.00 0.00 C ATOM 1260 CG ARG C 83 57.080 -3.084 9.845 1.00 0.00 C ATOM 1261 CD ARG C 83 58.466 -2.564 10.227 1.00 0.00 C ATOM 1262 NE ARG C 83 58.416 -1.901 11.526 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.361 -2.602 12.653 1.00 0.00 C ATOM 1264 NH1 ARG C 83 58.351 -3.906 12.611 1.00 0.00 N ATOM 1265 NH2 ARG C 83 58.317 -1.986 13.803 1.00 0.00 N ATOM 0 H ARG C 83 55.610 -3.324 7.559 1.00 0.00 H new ATOM 0 HA ARG C 83 54.430 -3.020 10.090 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.548 -1.400 8.600 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.174 -1.175 10.297 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.652 -3.650 10.672 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.157 -3.766 8.998 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.176 -3.390 10.260 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.823 -1.867 9.469 1.00 0.00 H new ATOM 0 HE ARG C 83 58.423 -0.882 11.569 1.00 0.00 H new ATOM 0 HH11 ARG C 83 58.385 -4.388 11.713 1.00 0.00 H new ATOM 0 HH12 ARG C 83 58.309 -4.444 13.477 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.325 -0.967 13.836 1.00 0.00 H new ATOM 0 HH22 ARG C 83 58.275 -2.524 14.668 1.00 0.00 H new ATOM 1279 N CYS C 84 53.651 -0.737 7.876 1.00 0.00 N ATOM 1280 CA CYS C 84 52.771 0.396 7.618 1.00 0.00 C ATOM 1281 C CYS C 84 51.531 -0.051 6.851 1.00 0.00 C ATOM 1282 O CYS C 84 51.094 0.617 5.914 1.00 0.00 O ATOM 1283 CB CYS C 84 53.515 1.463 6.812 1.00 0.00 C ATOM 1284 SG CYS C 84 53.295 3.077 7.600 1.00 0.00 S ATOM 0 H CYS C 84 54.123 -1.105 7.050 1.00 0.00 H new ATOM 0 HA CYS C 84 52.460 0.815 8.575 1.00 0.00 H new ATOM 0 HB2 CYS C 84 54.575 1.216 6.754 1.00 0.00 H new ATOM 0 HB3 CYS C 84 53.137 1.491 5.790 1.00 0.00 H new ATOM 0 HG CYS C 84 53.929 3.983 6.917 1.00 0.00 H new ATOM 1290 N MET C 85 50.968 -1.185 7.256 1.00 0.00 N ATOM 1291 CA MET C 85 49.778 -1.713 6.599 1.00 0.00 C ATOM 1292 C MET C 85 48.633 -0.708 6.677 1.00 0.00 C ATOM 1293 O MET C 85 48.316 -0.036 5.695 1.00 0.00 O ATOM 1294 CB MET C 85 49.354 -3.025 7.261 1.00 0.00 C ATOM 1295 CG MET C 85 48.509 -3.842 6.282 1.00 0.00 C ATOM 1296 SD MET C 85 47.795 -5.265 7.142 1.00 0.00 S ATOM 1297 CE MET C 85 47.029 -6.042 5.699 1.00 0.00 C ATOM 0 H MET C 85 51.314 -1.752 8.030 1.00 0.00 H new ATOM 0 HA MET C 85 50.015 -1.896 5.551 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.234 -3.594 7.561 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.783 -2.820 8.167 1.00 0.00 H new ATOM 0 HG2 MET C 85 47.717 -3.222 5.864 1.00 0.00 H new ATOM 0 HG3 MET C 85 49.124 -4.179 5.448 1.00 0.00 H new ATOM 0 HE1 MET C 85 46.158 -6.617 6.015 1.00 0.00 H new ATOM 0 HE2 MET C 85 46.719 -5.272 4.993 1.00 0.00 H new ATOM 0 HE3 MET C 85 47.748 -6.706 5.219 1.00 0.00 H new ATOM 1307 N LYS C 86 48.017 -0.611 7.850 1.00 0.00 N ATOM 1308 CA LYS C 86 46.908 0.316 8.045 1.00 0.00 C ATOM 1309 C LYS C 86 47.083 1.097 9.343 1.00 0.00 C ATOM 1310 O LYS C 86 47.606 0.575 10.327 1.00 0.00 O ATOM 1311 CB LYS C 86 45.585 -0.453 8.084 1.00 0.00 C ATOM 1312 CG LYS C 86 45.298 -1.046 6.704 1.00 0.00 C ATOM 1313 CD LYS C 86 43.894 -1.656 6.692 1.00 0.00 C ATOM 1314 CE LYS C 86 43.669 -2.394 5.372 1.00 0.00 C ATOM 1315 NZ LYS C 86 44.761 -3.388 5.166 1.00 0.00 N ATOM 0 H LYS C 86 48.264 -1.158 8.675 1.00 0.00 H new ATOM 0 HA LYS C 86 46.896 1.018 7.211 1.00 0.00 H new ATOM 0 HB2 LYS C 86 45.636 -1.247 8.829 1.00 0.00 H new ATOM 0 HB3 LYS C 86 44.774 0.212 8.381 1.00 0.00 H new ATOM 0 HG2 LYS C 86 45.376 -0.272 5.941 1.00 0.00 H new ATOM 0 HG3 LYS C 86 46.039 -1.808 6.463 1.00 0.00 H new ATOM 0 HD2 LYS C 86 43.778 -2.344 7.530 1.00 0.00 H new ATOM 0 HD3 LYS C 86 43.145 -0.874 6.816 1.00 0.00 H new ATOM 0 HE2 LYS C 86 42.702 -2.897 5.385 1.00 0.00 H new ATOM 0 HE3 LYS C 86 43.648 -1.684 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 44.440 -4.125 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 45.596 -2.910 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 45.010 -3.824 6.077 1.00 0.00 H new ATOM 1329 N ASP C 87 46.643 2.351 9.337 1.00 0.00 N ATOM 1330 CA ASP C 87 46.758 3.196 10.521 1.00 0.00 C ATOM 1331 C ASP C 87 45.525 3.047 11.406 1.00 0.00 C ATOM 1332 O ASP C 87 44.412 3.381 10.999 1.00 0.00 O ATOM 1333 CB ASP C 87 46.915 4.660 10.105 1.00 0.00 C ATOM 1334 CG ASP C 87 48.224 4.847 9.345 1.00 0.00 C ATOM 1335 OD1 ASP C 87 49.038 3.939 9.372 1.00 0.00 O ATOM 1336 OD2 ASP C 87 48.393 5.897 8.747 1.00 0.00 O ATOM 0 H ASP C 87 46.207 2.802 8.533 1.00 0.00 H new ATOM 0 HA ASP C 87 47.637 2.882 11.084 1.00 0.00 H new ATOM 0 HB2 ASP C 87 46.075 4.961 9.479 1.00 0.00 H new ATOM 0 HB3 ASP C 87 46.902 5.301 10.987 1.00 0.00 H new ATOM 1341 N ASP C 88 45.730 2.543 12.619 1.00 0.00 N ATOM 1342 CA ASP C 88 44.628 2.353 13.554 1.00 0.00 C ATOM 1343 C ASP C 88 45.128 2.422 14.993 1.00 0.00 C ATOM 1344 O ASP C 88 44.642 1.700 15.864 1.00 0.00 O ATOM 1345 CB ASP C 88 43.960 0.999 13.307 1.00 0.00 C ATOM 1346 CG ASP C 88 44.957 -0.127 13.562 1.00 0.00 C ATOM 1347 OD1 ASP C 88 46.014 0.155 14.102 1.00 0.00 O ATOM 1348 OD2 ASP C 88 44.649 -1.254 13.212 1.00 0.00 O ATOM 0 H ASP C 88 46.643 2.261 12.975 1.00 0.00 H new ATOM 0 HA ASP C 88 43.901 3.150 13.396 1.00 0.00 H new ATOM 0 HB2 ASP C 88 43.095 0.886 13.961 1.00 0.00 H new ATOM 0 HB3 ASP C 88 43.593 0.946 12.282 1.00 0.00 H new ATOM 1353 N SER C 89 46.101 3.295 15.235 1.00 0.00 N ATOM 1354 CA SER C 89 46.659 3.449 16.573 1.00 0.00 C ATOM 1355 C SER C 89 46.010 4.628 17.292 1.00 0.00 C ATOM 1356 O SER C 89 45.588 4.447 18.423 1.00 0.00 O ATOM 1357 CB SER C 89 48.169 3.672 16.486 1.00 0.00 C ATOM 1358 OG SER C 89 48.464 5.022 16.819 1.00 0.00 O ATOM 1359 OXT SER C 89 45.944 5.693 16.702 1.00 0.00 O ATOM 0 H SER C 89 46.516 3.902 14.528 1.00 0.00 H new ATOM 0 HA SER C 89 46.458 2.538 17.137 1.00 0.00 H new ATOM 0 HB2 SER C 89 48.688 2.996 17.166 1.00 0.00 H new ATOM 0 HB3 SER C 89 48.524 3.447 15.480 1.00 0.00 H new ATOM 0 HG SER C 89 49.432 5.168 16.766 1.00 0.00 H new ATOM 1430 N ASP I 119 50.166 3.774 2.161 1.00 0.00 N ATOM 1431 CA ASP I 119 49.028 4.204 1.357 1.00 0.00 C ATOM 1432 C ASP I 119 49.391 5.431 0.527 1.00 0.00 C ATOM 1433 O ASP I 119 49.159 5.466 -0.681 1.00 0.00 O ATOM 1434 CB ASP I 119 47.841 4.532 2.265 1.00 0.00 C ATOM 1435 CG ASP I 119 46.561 4.613 1.442 1.00 0.00 C ATOM 1436 OD1 ASP I 119 46.625 4.338 0.255 1.00 0.00 O ATOM 1437 OD2 ASP I 119 45.534 4.948 2.010 1.00 0.00 O ATOM 0 HA ASP I 119 48.756 3.392 0.683 1.00 0.00 H new ATOM 0 HB2 ASP I 119 47.740 3.767 3.035 1.00 0.00 H new ATOM 0 HB3 ASP I 119 48.015 5.479 2.776 1.00 0.00 H new ATOM 1442 N ALA I 120 49.962 6.436 1.184 1.00 0.00 N ATOM 1443 CA ALA I 120 50.353 7.660 0.496 1.00 0.00 C ATOM 1444 C ALA I 120 51.422 7.368 -0.552 1.00 0.00 C ATOM 1445 O ALA I 120 51.330 7.827 -1.691 1.00 0.00 O ATOM 1446 CB ALA I 120 50.890 8.677 1.505 1.00 0.00 C ATOM 0 H ALA I 120 50.163 6.427 2.184 1.00 0.00 H new ATOM 0 HA ALA I 120 49.475 8.071 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA I 120 51.180 9.589 0.983 1.00 0.00 H new ATOM 0 HB2 ALA I 120 50.115 8.908 2.236 1.00 0.00 H new ATOM 0 HB3 ALA I 120 51.758 8.260 2.016 1.00 0.00 H new ATOM 1452 N MET I 121 52.434 6.601 -0.160 1.00 0.00 N ATOM 1453 CA MET I 121 53.515 6.254 -1.075 1.00 0.00 C ATOM 1454 C MET I 121 52.972 5.498 -2.284 1.00 0.00 C ATOM 1455 O MET I 121 53.571 5.514 -3.359 1.00 0.00 O ATOM 1456 CB MET I 121 54.552 5.391 -0.354 1.00 0.00 C ATOM 1457 CG MET I 121 55.751 5.157 -1.275 1.00 0.00 C ATOM 1458 SD MET I 121 56.777 3.825 -0.604 1.00 0.00 S ATOM 1459 CE MET I 121 55.816 2.443 -1.266 1.00 0.00 C ATOM 0 H MET I 121 52.528 6.211 0.778 1.00 0.00 H new ATOM 0 HA MET I 121 53.985 7.175 -1.419 1.00 0.00 H new ATOM 0 HB2 MET I 121 54.875 5.883 0.563 1.00 0.00 H new ATOM 0 HB3 MET I 121 54.110 4.437 -0.066 1.00 0.00 H new ATOM 0 HG2 MET I 121 55.408 4.897 -2.277 1.00 0.00 H new ATOM 0 HG3 MET I 121 56.337 6.071 -1.366 1.00 0.00 H new ATOM 0 HE1 MET I 121 56.445 1.555 -1.319 1.00 0.00 H new ATOM 0 HE2 MET I 121 54.965 2.247 -0.614 1.00 0.00 H new ATOM 0 HE3 MET I 121 55.458 2.694 -2.265 1.00 0.00 H new ATOM 1469 N LEU I 122 51.834 4.836 -2.099 1.00 0.00 N ATOM 1470 CA LEU I 122 51.219 4.077 -3.182 1.00 0.00 C ATOM 1471 C LEU I 122 50.405 4.996 -4.085 1.00 0.00 C ATOM 1472 O LEU I 122 50.264 4.742 -5.282 1.00 0.00 O ATOM 1473 CB LEU I 122 50.311 2.988 -2.606 1.00 0.00 C ATOM 1474 CG LEU I 122 51.120 1.707 -2.395 1.00 0.00 C ATOM 1475 CD1 LEU I 122 52.548 2.066 -1.980 1.00 0.00 C ATOM 1476 CD2 LEU I 122 50.466 0.869 -1.294 1.00 0.00 C ATOM 0 H LEU I 122 51.323 4.810 -1.217 1.00 0.00 H new ATOM 0 HA LEU I 122 52.010 3.615 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU I 122 49.882 3.320 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU I 122 49.479 2.798 -3.284 1.00 0.00 H new ATOM 0 HG LEU I 122 51.145 1.136 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU I 122 53.124 1.153 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU I 122 53.015 2.665 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU I 122 52.525 2.637 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU I 122 51.041 -0.044 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU I 122 50.442 1.441 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU I 122 49.448 0.612 -1.588 1.00 0.00 H new