USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -5.24! C(o=-8.4!,f=-13!) USER MOD Set 1.3: A 43 MET CE :methyl -125:sc= -3.2 (180deg=-0.553) USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= -0.147 (180deg=-0.822) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.143 F(o=-0.93,f=-0.14) USER MOD Single : A 6 SER OG : rot 30:sc= 0.00485 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 17 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.4!) USER MOD Single : A 20 THR OG1 : rot 74:sc= 0.304 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -164:sc= -0.488 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0771 F(o=-1.4,f=-0.077) USER MOD Single : A 27 THR OG1 : rot 136:sc= 0.577 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -37:sc= 0.0785! USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0135) USER MOD Single : A 38 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 44 THR OG1 : rot 13:sc= -3.84! USER MOD Single : A 46 HIS : no HD1:sc= -13.6! C(o=-14!,f=-13!) USER MOD Single : A 48 SER OG : rot 160:sc= -2.35! USER MOD Single : A 50 SER OG : rot 180:sc= 0.134 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0982 USER MOD Single : A 65 SER OG : rot 130:sc= -1.34 USER MOD Single : A 69 ASN : amide:sc= -0.502 K(o=-0.5,f=-1.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.264 (180deg=-0.828) USER MOD Single : A 73 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 78 ASN : amide:sc= -4.95! C(o=-5!,f=-5.9!) USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.175) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0875 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N LYS A 4 7.574 -2.514 -9.983 1.00 1.00 N ATOM 53 CA LYS A 4 7.291 -1.272 -10.694 1.00 1.00 C ATOM 54 C LYS A 4 8.234 -0.169 -10.226 1.00 1.00 C ATOM 55 O LYS A 4 9.436 -0.339 -10.174 1.00 1.00 O ATOM 56 CB LYS A 4 5.852 -0.932 -10.436 1.00 1.00 C ATOM 57 CG LYS A 4 5.038 -2.144 -10.829 1.00 1.00 C ATOM 58 CD LYS A 4 3.704 -1.702 -11.407 1.00 1.00 C ATOM 59 CE LYS A 4 2.789 -2.915 -11.580 1.00 1.00 C ATOM 60 NZ LYS A 4 3.592 -4.084 -12.038 1.00 1.00 N ATOM 0 HA LYS A 4 7.453 -1.381 -11.766 1.00 1.00 H new ATOM 0 HB2 LYS A 4 5.696 -0.686 -9.386 1.00 1.00 H new ATOM 0 HB3 LYS A 4 5.551 -0.060 -11.016 1.00 1.00 H new ATOM 0 HG2 LYS A 4 5.584 -2.738 -11.562 1.00 1.00 H new ATOM 0 HG3 LYS A 4 4.875 -2.782 -9.960 1.00 1.00 H new ATOM 0 HD2 LYS A 4 3.235 -0.972 -10.747 1.00 1.00 H new ATOM 0 HD3 LYS A 4 3.858 -1.211 -12.368 1.00 1.00 H new ATOM 0 HE2 LYS A 4 2.294 -3.148 -10.637 1.00 1.00 H new ATOM 0 HE3 LYS A 4 2.006 -2.692 -12.305 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 2.963 -4.788 -12.474 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 4.296 -3.770 -12.736 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 4.078 -4.511 -11.224 1.00 1.00 H new ATOM 74 N HIS A 5 7.695 0.950 -9.890 1.00 1.00 N ATOM 75 CA HIS A 5 8.535 2.087 -9.423 1.00 1.00 C ATOM 76 C HIS A 5 7.797 2.828 -8.310 1.00 1.00 C ATOM 77 O HIS A 5 8.302 3.006 -7.219 1.00 1.00 O ATOM 78 CB HIS A 5 8.783 3.042 -10.588 1.00 1.00 C ATOM 79 CG HIS A 5 9.904 3.982 -10.242 1.00 1.00 C ATOM 80 ND1 HIS A 5 10.355 4.469 -9.039 1.00 1.00 N flip ATOM 81 CD2 HIS A 5 10.719 4.548 -11.210 1.00 1.00 C flip ATOM 82 CE1 HIS A 5 11.432 5.323 -9.254 1.00 1.00 C flip ATOM 83 NE2 HIS A 5 11.610 5.336 -10.577 1.00 1.00 N flip ATOM 0 H HIS A 5 6.693 1.139 -9.916 1.00 1.00 H new ATOM 0 HA HIS A 5 9.488 1.713 -9.048 1.00 1.00 H new ATOM 0 HB2 HIS A 5 9.033 2.478 -11.487 1.00 1.00 H new ATOM 0 HB3 HIS A 5 7.877 3.606 -10.808 1.00 1.00 H new ATOM 0 HD2 HIS A 5 10.652 4.387 -12.276 1.00 1.00 H new ATOM 0 HE1 HIS A 5 12.002 5.860 -8.510 1.00 1.00 H new ATOM 0 HE2 HIS A 5 12.333 5.877 -11.051 1.00 1.00 H new ATOM 91 N SER A 6 6.597 3.255 -8.582 1.00 1.00 N ATOM 92 CA SER A 6 5.803 3.977 -7.560 1.00 1.00 C ATOM 93 C SER A 6 4.335 3.593 -7.716 1.00 1.00 C ATOM 94 O SER A 6 3.988 2.766 -8.537 1.00 1.00 O ATOM 95 CB SER A 6 5.964 5.469 -7.748 1.00 1.00 C ATOM 96 OG SER A 6 6.999 5.944 -6.895 1.00 1.00 O ATOM 0 H SER A 6 6.130 3.131 -9.480 1.00 1.00 H new ATOM 0 HA SER A 6 6.151 3.708 -6.563 1.00 1.00 H new ATOM 0 HB2 SER A 6 6.204 5.692 -8.788 1.00 1.00 H new ATOM 0 HB3 SER A 6 5.028 5.978 -7.520 1.00 1.00 H new ATOM 0 HG SER A 6 7.657 5.232 -6.751 1.00 1.00 H new ATOM 102 N ILE A 7 3.462 4.180 -6.950 1.00 1.00 N ATOM 103 CA ILE A 7 2.026 3.830 -7.087 1.00 1.00 C ATOM 104 C ILE A 7 1.576 4.176 -8.512 1.00 1.00 C ATOM 105 O ILE A 7 0.615 3.638 -9.020 1.00 1.00 O ATOM 106 CB ILE A 7 1.205 4.602 -6.035 1.00 1.00 C ATOM 107 CG1 ILE A 7 0.101 3.692 -5.493 1.00 1.00 C ATOM 108 CG2 ILE A 7 0.567 5.859 -6.642 1.00 1.00 C ATOM 109 CD1 ILE A 7 0.077 3.778 -3.967 1.00 1.00 C ATOM 0 H ILE A 7 3.679 4.881 -6.241 1.00 1.00 H new ATOM 0 HA ILE A 7 1.869 2.765 -6.916 1.00 1.00 H new ATOM 0 HB ILE A 7 1.876 4.909 -5.232 1.00 1.00 H new ATOM 0 HG12 ILE A 7 -0.865 3.991 -5.900 1.00 1.00 H new ATOM 0 HG13 ILE A 7 0.275 2.663 -5.808 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.005 6.382 -5.876 1.00 1.00 H new ATOM 0 HG22 ILE A 7 1.349 6.516 -7.023 1.00 1.00 H new ATOM 0 HG23 ILE A 7 -0.096 5.573 -7.458 1.00 1.00 H new ATOM 0 HD11 ILE A 7 -0.709 3.130 -3.578 1.00 1.00 H new ATOM 0 HD12 ILE A 7 1.040 3.458 -3.569 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.117 4.807 -3.664 1.00 1.00 H new ATOM 121 N SER A 8 2.275 5.070 -9.159 1.00 1.00 N ATOM 122 CA SER A 8 1.898 5.455 -10.550 1.00 1.00 C ATOM 123 C SER A 8 1.882 4.212 -11.441 1.00 1.00 C ATOM 124 O SER A 8 1.005 4.039 -12.264 1.00 1.00 O ATOM 125 CB SER A 8 2.917 6.455 -11.098 1.00 1.00 C ATOM 126 OG SER A 8 2.964 6.347 -12.514 1.00 1.00 O ATOM 0 H SER A 8 3.092 5.551 -8.783 1.00 1.00 H new ATOM 0 HA SER A 8 0.907 5.910 -10.541 1.00 1.00 H new ATOM 0 HB2 SER A 8 2.641 7.469 -10.808 1.00 1.00 H new ATOM 0 HB3 SER A 8 3.902 6.258 -10.674 1.00 1.00 H new ATOM 0 HG SER A 8 3.615 6.987 -12.869 1.00 1.00 H new ATOM 132 N ASP A 9 2.841 3.341 -11.284 1.00 1.00 N ATOM 133 CA ASP A 9 2.874 2.118 -12.119 1.00 1.00 C ATOM 134 C ASP A 9 1.885 1.103 -11.552 1.00 1.00 C ATOM 135 O ASP A 9 1.373 0.252 -12.252 1.00 1.00 O ATOM 136 CB ASP A 9 4.272 1.543 -12.104 1.00 1.00 C ATOM 137 CG ASP A 9 5.093 2.140 -13.248 1.00 1.00 C ATOM 138 OD1 ASP A 9 4.525 2.365 -14.303 1.00 1.00 O ATOM 139 OD2 ASP A 9 6.277 2.360 -13.049 1.00 1.00 O ATOM 0 H ASP A 9 3.602 3.428 -10.611 1.00 1.00 H new ATOM 0 HA ASP A 9 2.597 2.357 -13.146 1.00 1.00 H new ATOM 0 HB2 ASP A 9 4.753 1.758 -11.149 1.00 1.00 H new ATOM 0 HB3 ASP A 9 4.230 0.458 -12.203 1.00 1.00 H new ATOM 144 N TYR A 10 1.606 1.201 -10.280 1.00 1.00 N ATOM 145 CA TYR A 10 0.641 0.263 -9.642 1.00 1.00 C ATOM 146 C TYR A 10 -0.761 0.869 -9.716 1.00 1.00 C ATOM 147 O TYR A 10 -0.987 1.979 -9.278 1.00 1.00 O ATOM 148 CB TYR A 10 1.017 0.072 -8.170 1.00 1.00 C ATOM 149 CG TYR A 10 2.104 -0.969 -8.037 1.00 1.00 C ATOM 150 CD1 TYR A 10 1.804 -2.323 -8.225 1.00 1.00 C ATOM 151 CD2 TYR A 10 3.410 -0.578 -7.718 1.00 1.00 C ATOM 152 CE1 TYR A 10 2.809 -3.288 -8.091 1.00 1.00 C ATOM 153 CE2 TYR A 10 4.415 -1.542 -7.586 1.00 1.00 C ATOM 154 CZ TYR A 10 4.115 -2.896 -7.772 1.00 1.00 C ATOM 155 OH TYR A 10 5.107 -3.848 -7.641 1.00 1.00 O ATOM 0 H TYR A 10 2.009 1.896 -9.652 1.00 1.00 H new ATOM 0 HA TYR A 10 0.666 -0.697 -10.158 1.00 1.00 H new ATOM 0 HB2 TYR A 10 1.357 1.018 -7.749 1.00 1.00 H new ATOM 0 HB3 TYR A 10 0.140 -0.234 -7.600 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.797 -2.623 -8.474 1.00 1.00 H new ATOM 0 HD2 TYR A 10 3.641 0.467 -7.574 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.578 -4.333 -8.233 1.00 1.00 H new ATOM 0 HE2 TYR A 10 5.423 -1.241 -7.340 1.00 1.00 H new ATOM 0 HH TYR A 10 5.984 -3.411 -7.658 1.00 1.00 H new ATOM 165 N THR A 11 -1.712 0.158 -10.251 1.00 1.00 N ATOM 166 CA THR A 11 -3.088 0.718 -10.324 1.00 1.00 C ATOM 167 C THR A 11 -3.702 0.681 -8.925 1.00 1.00 C ATOM 168 O THR A 11 -3.085 0.228 -7.983 1.00 1.00 O ATOM 169 CB THR A 11 -3.942 -0.112 -11.287 1.00 1.00 C ATOM 170 OG1 THR A 11 -3.639 -1.490 -11.123 1.00 1.00 O ATOM 171 CG2 THR A 11 -3.643 0.311 -12.726 1.00 1.00 C ATOM 0 H THR A 11 -1.598 -0.779 -10.638 1.00 1.00 H new ATOM 0 HA THR A 11 -3.051 1.744 -10.689 1.00 1.00 H new ATOM 0 HB THR A 11 -4.998 0.054 -11.072 1.00 1.00 H new ATOM 0 HG1 THR A 11 -4.187 -2.021 -11.738 1.00 1.00 H new ATOM 0 HG21 THR A 11 -4.250 -0.279 -13.412 1.00 1.00 H new ATOM 0 HG22 THR A 11 -3.878 1.368 -12.851 1.00 1.00 H new ATOM 0 HG23 THR A 11 -2.587 0.146 -12.942 1.00 1.00 H new ATOM 179 N GLU A 12 -4.905 1.157 -8.772 1.00 1.00 N ATOM 180 CA GLU A 12 -5.532 1.140 -7.422 1.00 1.00 C ATOM 181 C GLU A 12 -5.868 -0.303 -7.038 1.00 1.00 C ATOM 182 O GLU A 12 -6.125 -0.610 -5.890 1.00 1.00 O ATOM 183 CB GLU A 12 -6.804 1.986 -7.439 1.00 1.00 C ATOM 184 CG GLU A 12 -7.864 1.238 -8.226 1.00 1.00 C ATOM 185 CD GLU A 12 -9.002 0.823 -7.290 1.00 1.00 C ATOM 186 OE1 GLU A 12 -8.729 0.597 -6.122 1.00 1.00 O ATOM 187 OE2 GLU A 12 -10.126 0.739 -7.756 1.00 1.00 O ATOM 0 H GLU A 12 -5.478 1.554 -9.517 1.00 1.00 H new ATOM 0 HA GLU A 12 -4.839 1.555 -6.690 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -7.148 2.174 -6.422 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -6.608 2.957 -7.894 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -8.250 1.869 -9.026 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -7.428 0.357 -8.697 1.00 1.00 H new ATOM 194 N ALA A 13 -5.857 -1.191 -7.994 1.00 1.00 N ATOM 195 CA ALA A 13 -6.171 -2.616 -7.695 1.00 1.00 C ATOM 196 C ALA A 13 -4.867 -3.399 -7.563 1.00 1.00 C ATOM 197 O ALA A 13 -4.705 -4.202 -6.668 1.00 1.00 O ATOM 198 CB ALA A 13 -7.008 -3.201 -8.832 1.00 1.00 C ATOM 0 H ALA A 13 -5.644 -0.990 -8.971 1.00 1.00 H new ATOM 0 HA ALA A 13 -6.733 -2.682 -6.763 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -7.239 -4.244 -8.615 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -7.936 -2.637 -8.929 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -6.448 -3.140 -9.765 1.00 1.00 H new ATOM 204 N GLU A 14 -3.930 -3.168 -8.444 1.00 1.00 N ATOM 205 CA GLU A 14 -2.643 -3.882 -8.362 1.00 1.00 C ATOM 206 C GLU A 14 -1.957 -3.499 -7.050 1.00 1.00 C ATOM 207 O GLU A 14 -1.317 -4.308 -6.406 1.00 1.00 O ATOM 208 CB GLU A 14 -1.793 -3.447 -9.550 1.00 1.00 C ATOM 209 CG GLU A 14 -1.684 -4.601 -10.543 1.00 1.00 C ATOM 210 CD GLU A 14 -0.210 -4.931 -10.788 1.00 1.00 C ATOM 211 OE1 GLU A 14 0.483 -5.206 -9.823 1.00 1.00 O ATOM 212 OE2 GLU A 14 0.200 -4.905 -11.936 1.00 1.00 O ATOM 0 H GLU A 14 -4.011 -2.509 -9.218 1.00 1.00 H new ATOM 0 HA GLU A 14 -2.784 -4.963 -8.386 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -2.240 -2.578 -10.033 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -0.801 -3.148 -9.212 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -2.204 -5.477 -10.156 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -2.168 -4.333 -11.482 1.00 1.00 H new ATOM 219 N PHE A 15 -2.114 -2.270 -6.640 1.00 1.00 N ATOM 220 CA PHE A 15 -1.496 -1.829 -5.359 1.00 1.00 C ATOM 221 C PHE A 15 -2.340 -2.370 -4.210 1.00 1.00 C ATOM 222 O PHE A 15 -1.836 -2.963 -3.277 1.00 1.00 O ATOM 223 CB PHE A 15 -1.467 -0.302 -5.301 1.00 1.00 C ATOM 224 CG PHE A 15 -0.633 0.140 -4.123 1.00 1.00 C ATOM 225 CD1 PHE A 15 0.751 -0.072 -4.126 1.00 1.00 C ATOM 226 CD2 PHE A 15 -1.244 0.764 -3.029 1.00 1.00 C ATOM 227 CE1 PHE A 15 1.523 0.338 -3.034 1.00 1.00 C ATOM 228 CE2 PHE A 15 -0.471 1.175 -1.937 1.00 1.00 C ATOM 229 CZ PHE A 15 0.914 0.963 -1.940 1.00 1.00 C ATOM 0 H PHE A 15 -2.643 -1.553 -7.137 1.00 1.00 H new ATOM 0 HA PHE A 15 -0.475 -2.203 -5.285 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -1.052 0.100 -6.225 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -2.481 0.089 -5.210 1.00 1.00 H new ATOM 0 HD1 PHE A 15 1.222 -0.552 -4.971 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -2.311 0.928 -3.028 1.00 1.00 H new ATOM 0 HE1 PHE A 15 2.590 0.172 -3.035 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -0.942 1.655 -1.092 1.00 1.00 H new ATOM 0 HZ PHE A 15 1.511 1.282 -1.098 1.00 1.00 H new ATOM 239 N LEU A 16 -3.630 -2.186 -4.283 1.00 1.00 N ATOM 240 CA LEU A 16 -4.518 -2.705 -3.212 1.00 1.00 C ATOM 241 C LEU A 16 -4.204 -4.183 -2.994 1.00 1.00 C ATOM 242 O LEU A 16 -4.338 -4.707 -1.906 1.00 1.00 O ATOM 243 CB LEU A 16 -5.973 -2.539 -3.660 1.00 1.00 C ATOM 244 CG LEU A 16 -6.931 -2.844 -2.516 1.00 1.00 C ATOM 245 CD1 LEU A 16 -8.353 -2.468 -2.937 1.00 1.00 C ATOM 246 CD2 LEU A 16 -6.883 -4.336 -2.171 1.00 1.00 C ATOM 0 H LEU A 16 -4.106 -1.697 -5.041 1.00 1.00 H new ATOM 0 HA LEU A 16 -4.362 -2.160 -2.281 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -6.135 -1.521 -4.014 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -6.178 -3.204 -4.499 1.00 1.00 H new ATOM 0 HG LEU A 16 -6.637 -2.267 -1.640 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -9.043 -2.684 -2.122 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -8.393 -1.405 -3.174 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -8.637 -3.047 -3.816 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -7.572 -4.542 -1.352 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -7.172 -4.921 -3.044 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -5.871 -4.608 -1.871 1.00 1.00 H new ATOM 258 N GLN A 17 -3.773 -4.857 -4.023 1.00 1.00 N ATOM 259 CA GLN A 17 -3.434 -6.296 -3.880 1.00 1.00 C ATOM 260 C GLN A 17 -2.186 -6.412 -3.010 1.00 1.00 C ATOM 261 O GLN A 17 -2.109 -7.244 -2.130 1.00 1.00 O ATOM 262 CB GLN A 17 -3.159 -6.898 -5.260 1.00 1.00 C ATOM 263 CG GLN A 17 -4.323 -7.809 -5.661 1.00 1.00 C ATOM 264 CD GLN A 17 -4.084 -9.218 -5.112 1.00 1.00 C ATOM 265 OE1 GLN A 17 -3.094 -9.467 -4.454 1.00 1.00 O ATOM 266 NE2 GLN A 17 -4.956 -10.157 -5.359 1.00 1.00 N ATOM 0 H GLN A 17 -3.641 -4.471 -4.958 1.00 1.00 H new ATOM 0 HA GLN A 17 -4.263 -6.834 -3.419 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -3.034 -6.104 -5.996 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -2.229 -7.465 -5.242 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -5.260 -7.411 -5.273 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -4.416 -7.841 -6.747 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -5.788 -9.948 -5.912 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -4.806 -11.100 -4.999 1.00 1.00 H new ATOM 275 N LEU A 18 -1.215 -5.574 -3.240 1.00 1.00 N ATOM 276 CA LEU A 18 0.024 -5.627 -2.412 1.00 1.00 C ATOM 277 C LEU A 18 -0.359 -5.514 -0.937 1.00 1.00 C ATOM 278 O LEU A 18 -0.055 -6.381 -0.142 1.00 1.00 O ATOM 279 CB LEU A 18 0.945 -4.460 -2.799 1.00 1.00 C ATOM 280 CG LEU A 18 2.254 -4.533 -2.003 1.00 1.00 C ATOM 281 CD1 LEU A 18 3.394 -4.971 -2.928 1.00 1.00 C ATOM 282 CD2 LEU A 18 2.573 -3.152 -1.422 1.00 1.00 C ATOM 0 H LEU A 18 -1.224 -4.855 -3.964 1.00 1.00 H new ATOM 0 HA LEU A 18 0.546 -6.568 -2.583 1.00 1.00 H new ATOM 0 HB2 LEU A 18 1.158 -4.494 -3.867 1.00 1.00 H new ATOM 0 HB3 LEU A 18 0.444 -3.512 -2.604 1.00 1.00 H new ATOM 0 HG LEU A 18 2.146 -5.255 -1.194 1.00 1.00 H new ATOM 0 HD11 LEU A 18 4.323 -5.022 -2.361 1.00 1.00 H new ATOM 0 HD12 LEU A 18 3.168 -5.953 -3.344 1.00 1.00 H new ATOM 0 HD13 LEU A 18 3.503 -4.250 -3.738 1.00 1.00 H new ATOM 0 HD21 LEU A 18 3.503 -3.201 -0.856 1.00 1.00 H new ATOM 0 HD22 LEU A 18 2.680 -2.432 -2.233 1.00 1.00 H new ATOM 0 HD23 LEU A 18 1.763 -2.839 -0.763 1.00 1.00 H new ATOM 294 N VAL A 19 -1.031 -4.456 -0.565 1.00 1.00 N ATOM 295 CA VAL A 19 -1.436 -4.288 0.860 1.00 1.00 C ATOM 296 C VAL A 19 -2.144 -5.552 1.348 1.00 1.00 C ATOM 297 O VAL A 19 -2.101 -5.887 2.516 1.00 1.00 O ATOM 298 CB VAL A 19 -2.366 -3.081 0.975 1.00 1.00 C ATOM 299 CG1 VAL A 19 -3.174 -3.151 2.275 1.00 1.00 C ATOM 300 CG2 VAL A 19 -1.532 -1.798 0.967 1.00 1.00 C ATOM 0 H VAL A 19 -1.317 -3.701 -1.188 1.00 1.00 H new ATOM 0 HA VAL A 19 -0.554 -4.123 1.479 1.00 1.00 H new ATOM 0 HB VAL A 19 -3.055 -3.084 0.130 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.831 -2.284 2.342 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.773 -4.062 2.283 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.494 -3.157 3.126 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -2.192 -0.934 1.049 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.841 -1.808 1.810 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -0.968 -1.737 0.036 1.00 1.00 H new ATOM 310 N THR A 20 -2.790 -6.264 0.468 1.00 1.00 N ATOM 311 CA THR A 20 -3.487 -7.507 0.893 1.00 1.00 C ATOM 312 C THR A 20 -2.445 -8.566 1.245 1.00 1.00 C ATOM 313 O THR A 20 -2.466 -9.138 2.315 1.00 1.00 O ATOM 314 CB THR A 20 -4.371 -8.015 -0.247 1.00 1.00 C ATOM 315 OG1 THR A 20 -5.466 -7.128 -0.425 1.00 1.00 O ATOM 316 CG2 THR A 20 -4.893 -9.413 0.090 1.00 1.00 C ATOM 0 H THR A 20 -2.865 -6.039 -0.524 1.00 1.00 H new ATOM 0 HA THR A 20 -4.110 -7.301 1.763 1.00 1.00 H new ATOM 0 HB THR A 20 -3.787 -8.062 -1.166 1.00 1.00 H new ATOM 0 HG1 THR A 20 -5.153 -6.304 -0.854 1.00 1.00 H new ATOM 0 HG21 THR A 20 -5.523 -9.772 -0.724 1.00 1.00 H new ATOM 0 HG22 THR A 20 -4.052 -10.093 0.225 1.00 1.00 H new ATOM 0 HG23 THR A 20 -5.477 -9.371 1.009 1.00 1.00 H new ATOM 324 N THR A 21 -1.527 -8.829 0.357 1.00 1.00 N ATOM 325 CA THR A 21 -0.486 -9.847 0.651 1.00 1.00 C ATOM 326 C THR A 21 0.224 -9.477 1.951 1.00 1.00 C ATOM 327 O THR A 21 0.793 -10.317 2.619 1.00 1.00 O ATOM 328 CB THR A 21 0.532 -9.885 -0.491 1.00 1.00 C ATOM 329 OG1 THR A 21 -0.150 -10.031 -1.728 1.00 1.00 O ATOM 330 CG2 THR A 21 1.482 -11.064 -0.286 1.00 1.00 C ATOM 0 H THR A 21 -1.454 -8.383 -0.557 1.00 1.00 H new ATOM 0 HA THR A 21 -0.952 -10.827 0.752 1.00 1.00 H new ATOM 0 HB THR A 21 1.104 -8.957 -0.501 1.00 1.00 H new ATOM 0 HG1 THR A 21 0.501 -10.054 -2.460 1.00 1.00 H new ATOM 0 HG21 THR A 21 2.208 -11.092 -1.099 1.00 1.00 H new ATOM 0 HG22 THR A 21 2.005 -10.949 0.663 1.00 1.00 H new ATOM 0 HG23 THR A 21 0.912 -11.993 -0.276 1.00 1.00 H new ATOM 338 N ILE A 22 0.196 -8.226 2.316 1.00 1.00 N ATOM 339 CA ILE A 22 0.872 -7.805 3.574 1.00 1.00 C ATOM 340 C ILE A 22 -0.025 -8.136 4.768 1.00 1.00 C ATOM 341 O ILE A 22 0.266 -9.020 5.550 1.00 1.00 O ATOM 342 CB ILE A 22 1.153 -6.298 3.532 1.00 1.00 C ATOM 343 CG1 ILE A 22 1.608 -5.922 2.108 1.00 1.00 C ATOM 344 CG2 ILE A 22 2.243 -5.958 4.564 1.00 1.00 C ATOM 345 CD1 ILE A 22 2.687 -4.834 2.140 1.00 1.00 C ATOM 0 H ILE A 22 -0.265 -7.478 1.798 1.00 1.00 H new ATOM 0 HA ILE A 22 1.817 -8.338 3.675 1.00 1.00 H new ATOM 0 HB ILE A 22 0.255 -5.731 3.779 1.00 1.00 H new ATOM 0 HG12 ILE A 22 1.995 -6.806 1.602 1.00 1.00 H new ATOM 0 HG13 ILE A 22 0.752 -5.572 1.530 1.00 1.00 H new ATOM 0 HG21 ILE A 22 2.447 -4.888 4.539 1.00 1.00 H new ATOM 0 HG22 ILE A 22 1.901 -6.239 5.560 1.00 1.00 H new ATOM 0 HG23 ILE A 22 3.154 -6.507 4.325 1.00 1.00 H new ATOM 0 HD11 ILE A 22 2.988 -4.590 1.121 1.00 1.00 H new ATOM 0 HD12 ILE A 22 2.290 -3.942 2.625 1.00 1.00 H new ATOM 0 HD13 ILE A 22 3.552 -5.195 2.697 1.00 1.00 H new ATOM 357 N CYS A 23 -1.115 -7.436 4.918 1.00 1.00 N ATOM 358 CA CYS A 23 -2.027 -7.711 6.064 1.00 1.00 C ATOM 359 C CYS A 23 -2.408 -9.193 6.084 1.00 1.00 C ATOM 360 O CYS A 23 -2.132 -9.903 7.031 1.00 1.00 O ATOM 361 CB CYS A 23 -3.291 -6.862 5.917 1.00 1.00 C ATOM 362 SG CYS A 23 -3.541 -5.889 7.424 1.00 1.00 S ATOM 0 H CYS A 23 -1.414 -6.685 4.296 1.00 1.00 H new ATOM 0 HA CYS A 23 -1.520 -7.461 6.996 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -3.200 -6.201 5.055 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -4.154 -7.503 5.737 1.00 1.00 H new ATOM 0 HG CYS A 23 -4.756 -5.426 7.445 1.00 1.00 H new ATOM 368 N ASN A 24 -3.046 -9.656 5.051 1.00 1.00 N ATOM 369 CA ASN A 24 -3.461 -11.090 5.000 1.00 1.00 C ATOM 370 C ASN A 24 -2.268 -11.992 5.328 1.00 1.00 C ATOM 371 O ASN A 24 -2.433 -13.132 5.716 1.00 1.00 O ATOM 372 CB ASN A 24 -3.981 -11.426 3.599 1.00 1.00 C ATOM 373 CG ASN A 24 -5.447 -11.005 3.482 1.00 1.00 C ATOM 374 OD1 ASN A 24 -5.799 -9.805 3.853 1.00 1.00 O flip ATOM 375 ND2 ASN A 24 -6.280 -11.776 3.048 1.00 1.00 N flip ATOM 0 H ASN A 24 -3.302 -9.104 4.233 1.00 1.00 H new ATOM 0 HA ASN A 24 -4.250 -11.257 5.733 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -3.383 -10.913 2.845 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -3.883 -12.495 3.410 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -6.004 -12.714 2.758 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.255 -11.485 2.974 1.00 1.00 H new ATOM 382 N ALA A 25 -1.069 -11.499 5.172 1.00 1.00 N ATOM 383 CA ALA A 25 0.120 -12.340 5.476 1.00 1.00 C ATOM 384 C ALA A 25 0.094 -13.595 4.601 1.00 1.00 C ATOM 385 O ALA A 25 0.025 -14.706 5.090 1.00 1.00 O ATOM 386 CB ALA A 25 0.097 -12.741 6.951 1.00 1.00 C ATOM 0 H ALA A 25 -0.864 -10.554 4.848 1.00 1.00 H new ATOM 0 HA ALA A 25 1.029 -11.775 5.270 1.00 1.00 H new ATOM 0 HB1 ALA A 25 0.968 -13.357 7.174 1.00 1.00 H new ATOM 0 HB2 ALA A 25 0.117 -11.845 7.572 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -0.811 -13.307 7.160 1.00 1.00 H new ATOM 392 N ASP A 26 0.142 -13.424 3.309 1.00 1.00 N ATOM 393 CA ASP A 26 0.113 -14.595 2.393 1.00 1.00 C ATOM 394 C ASP A 26 1.529 -14.934 1.946 1.00 1.00 C ATOM 395 O ASP A 26 1.742 -15.722 1.045 1.00 1.00 O ATOM 396 CB ASP A 26 -0.721 -14.222 1.181 1.00 1.00 C ATOM 397 CG ASP A 26 -1.591 -15.412 0.769 1.00 1.00 C ATOM 398 OD1 ASP A 26 -1.052 -16.497 0.638 1.00 1.00 O ATOM 399 OD2 ASP A 26 -2.782 -15.215 0.590 1.00 1.00 O ATOM 0 H ASP A 26 0.200 -12.517 2.847 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.313 -15.460 2.901 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -1.350 -13.362 1.411 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -0.071 -13.931 0.356 1.00 1.00 H new ATOM 404 N THR A 27 2.492 -14.344 2.574 1.00 1.00 N ATOM 405 CA THR A 27 3.897 -14.608 2.217 1.00 1.00 C ATOM 406 C THR A 27 4.344 -15.902 2.872 1.00 1.00 C ATOM 407 O THR A 27 3.607 -16.553 3.585 1.00 1.00 O ATOM 408 CB THR A 27 4.770 -13.454 2.713 1.00 1.00 C ATOM 409 OG1 THR A 27 4.809 -13.469 4.134 1.00 1.00 O ATOM 410 CG2 THR A 27 4.185 -12.127 2.229 1.00 1.00 C ATOM 0 H THR A 27 2.361 -13.677 3.334 1.00 1.00 H new ATOM 0 HA THR A 27 3.993 -14.696 1.135 1.00 1.00 H new ATOM 0 HB THR A 27 5.781 -13.566 2.321 1.00 1.00 H new ATOM 0 HG1 THR A 27 5.729 -13.319 4.438 1.00 1.00 H new ATOM 0 HG21 THR A 27 4.807 -11.305 2.582 1.00 1.00 H new ATOM 0 HG22 THR A 27 4.156 -12.118 1.139 1.00 1.00 H new ATOM 0 HG23 THR A 27 3.174 -12.011 2.620 1.00 1.00 H new ATOM 418 N SER A 28 5.557 -16.257 2.637 1.00 1.00 N ATOM 419 CA SER A 28 6.113 -17.500 3.234 1.00 1.00 C ATOM 420 C SER A 28 7.137 -17.110 4.296 1.00 1.00 C ATOM 421 O SER A 28 7.901 -17.927 4.770 1.00 1.00 O ATOM 422 CB SER A 28 6.793 -18.336 2.148 1.00 1.00 C ATOM 423 OG SER A 28 5.891 -18.515 1.063 1.00 1.00 O ATOM 0 H SER A 28 6.207 -15.736 2.048 1.00 1.00 H new ATOM 0 HA SER A 28 5.313 -18.088 3.682 1.00 1.00 H new ATOM 0 HB2 SER A 28 7.700 -17.839 1.804 1.00 1.00 H new ATOM 0 HB3 SER A 28 7.093 -19.303 2.551 1.00 1.00 H new ATOM 0 HG SER A 28 6.323 -19.049 0.363 1.00 1.00 H new ATOM 429 N SER A 29 7.147 -15.861 4.677 1.00 1.00 N ATOM 430 CA SER A 29 8.104 -15.406 5.706 1.00 1.00 C ATOM 431 C SER A 29 7.719 -14.005 6.182 1.00 1.00 C ATOM 432 O SER A 29 7.377 -13.143 5.396 1.00 1.00 O ATOM 433 CB SER A 29 9.519 -15.379 5.125 1.00 1.00 C ATOM 434 OG SER A 29 9.763 -16.589 4.418 1.00 1.00 O ATOM 0 H SER A 29 6.527 -15.138 4.313 1.00 1.00 H new ATOM 0 HA SER A 29 8.076 -16.096 6.549 1.00 1.00 H new ATOM 0 HB2 SER A 29 9.633 -14.525 4.457 1.00 1.00 H new ATOM 0 HB3 SER A 29 10.250 -15.258 5.925 1.00 1.00 H new ATOM 0 HG SER A 29 9.339 -17.335 4.891 1.00 1.00 H new ATOM 440 N GLU A 30 7.771 -13.771 7.464 1.00 1.00 N ATOM 441 CA GLU A 30 7.409 -12.427 7.992 1.00 1.00 C ATOM 442 C GLU A 30 8.315 -11.372 7.356 1.00 1.00 C ATOM 443 O GLU A 30 7.954 -10.217 7.242 1.00 1.00 O ATOM 444 CB GLU A 30 7.590 -12.408 9.512 1.00 1.00 C ATOM 445 CG GLU A 30 6.432 -11.640 10.154 1.00 1.00 C ATOM 446 CD GLU A 30 5.690 -12.553 11.131 1.00 1.00 C ATOM 447 OE1 GLU A 30 5.741 -13.757 10.944 1.00 1.00 O ATOM 448 OE2 GLU A 30 5.077 -12.032 12.050 1.00 1.00 O ATOM 0 H GLU A 30 8.049 -14.454 8.169 1.00 1.00 H new ATOM 0 HA GLU A 30 6.369 -12.208 7.750 1.00 1.00 H new ATOM 0 HB2 GLU A 30 7.623 -13.427 9.898 1.00 1.00 H new ATOM 0 HB3 GLU A 30 8.539 -11.939 9.770 1.00 1.00 H new ATOM 0 HG2 GLU A 30 6.810 -10.762 10.677 1.00 1.00 H new ATOM 0 HG3 GLU A 30 5.748 -11.282 9.384 1.00 1.00 H new ATOM 455 N GLU A 31 9.491 -11.758 6.935 1.00 1.00 N ATOM 456 CA GLU A 31 10.416 -10.775 6.303 1.00 1.00 C ATOM 457 C GLU A 31 9.789 -10.255 5.011 1.00 1.00 C ATOM 458 O GLU A 31 9.934 -9.102 4.662 1.00 1.00 O ATOM 459 CB GLU A 31 11.751 -11.452 5.989 1.00 1.00 C ATOM 460 CG GLU A 31 12.806 -10.388 5.682 1.00 1.00 C ATOM 461 CD GLU A 31 13.023 -10.301 4.170 1.00 1.00 C ATOM 462 OE1 GLU A 31 13.417 -11.298 3.589 1.00 1.00 O ATOM 463 OE2 GLU A 31 12.789 -9.238 3.619 1.00 1.00 O ATOM 0 H GLU A 31 9.849 -12.711 7.002 1.00 1.00 H new ATOM 0 HA GLU A 31 10.589 -9.944 6.987 1.00 1.00 H new ATOM 0 HB2 GLU A 31 12.069 -12.061 6.835 1.00 1.00 H new ATOM 0 HB3 GLU A 31 11.638 -12.123 5.138 1.00 1.00 H new ATOM 0 HG2 GLU A 31 12.485 -9.421 6.070 1.00 1.00 H new ATOM 0 HG3 GLU A 31 13.743 -10.636 6.180 1.00 1.00 H new ATOM 470 N GLU A 32 9.083 -11.090 4.300 1.00 1.00 N ATOM 471 CA GLU A 32 8.440 -10.626 3.040 1.00 1.00 C ATOM 472 C GLU A 32 7.225 -9.769 3.400 1.00 1.00 C ATOM 473 O GLU A 32 6.737 -8.992 2.606 1.00 1.00 O ATOM 474 CB GLU A 32 7.992 -11.835 2.213 1.00 1.00 C ATOM 475 CG GLU A 32 9.109 -12.234 1.245 1.00 1.00 C ATOM 476 CD GLU A 32 8.501 -12.921 0.020 1.00 1.00 C ATOM 477 OE1 GLU A 32 8.138 -12.220 -0.910 1.00 1.00 O ATOM 478 OE2 GLU A 32 8.410 -14.138 0.032 1.00 1.00 O ATOM 0 H GLU A 32 8.924 -12.070 4.536 1.00 1.00 H new ATOM 0 HA GLU A 32 9.149 -10.041 2.454 1.00 1.00 H new ATOM 0 HB2 GLU A 32 7.751 -12.670 2.871 1.00 1.00 H new ATOM 0 HB3 GLU A 32 7.085 -11.594 1.659 1.00 1.00 H new ATOM 0 HG2 GLU A 32 9.672 -11.352 0.939 1.00 1.00 H new ATOM 0 HG3 GLU A 32 9.812 -12.904 1.740 1.00 1.00 H new ATOM 485 N LEU A 33 6.746 -9.904 4.607 1.00 1.00 N ATOM 486 CA LEU A 33 5.568 -9.107 5.060 1.00 1.00 C ATOM 487 C LEU A 33 6.031 -7.701 5.431 1.00 1.00 C ATOM 488 O LEU A 33 5.272 -6.752 5.400 1.00 1.00 O ATOM 489 CB LEU A 33 4.965 -9.795 6.292 1.00 1.00 C ATOM 490 CG LEU A 33 3.441 -9.874 6.182 1.00 1.00 C ATOM 491 CD1 LEU A 33 2.861 -8.464 6.200 1.00 1.00 C ATOM 492 CD2 LEU A 33 3.045 -10.586 4.882 1.00 1.00 C ATOM 0 H LEU A 33 7.125 -10.541 5.308 1.00 1.00 H new ATOM 0 HA LEU A 33 4.822 -9.042 4.268 1.00 1.00 H new ATOM 0 HB2 LEU A 33 5.379 -10.798 6.392 1.00 1.00 H new ATOM 0 HB3 LEU A 33 5.241 -9.245 7.192 1.00 1.00 H new ATOM 0 HG LEU A 33 3.046 -10.440 7.026 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.775 -8.516 6.122 1.00 1.00 H new ATOM 0 HD12 LEU A 33 3.134 -7.970 7.132 1.00 1.00 H new ATOM 0 HD13 LEU A 33 3.258 -7.896 5.359 1.00 1.00 H new ATOM 0 HD21 LEU A 33 1.958 -10.638 4.812 1.00 1.00 H new ATOM 0 HD22 LEU A 33 3.438 -10.032 4.029 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.457 -11.595 4.880 1.00 1.00 H new ATOM 504 N VAL A 34 7.277 -7.562 5.764 1.00 1.00 N ATOM 505 CA VAL A 34 7.815 -6.226 6.122 1.00 1.00 C ATOM 506 C VAL A 34 8.297 -5.564 4.840 1.00 1.00 C ATOM 507 O VAL A 34 7.887 -4.482 4.504 1.00 1.00 O ATOM 508 CB VAL A 34 8.959 -6.418 7.138 1.00 1.00 C ATOM 509 CG1 VAL A 34 10.321 -6.106 6.512 1.00 1.00 C ATOM 510 CG2 VAL A 34 8.733 -5.497 8.338 1.00 1.00 C ATOM 0 H VAL A 34 7.954 -8.324 5.804 1.00 1.00 H new ATOM 0 HA VAL A 34 7.061 -5.588 6.582 1.00 1.00 H new ATOM 0 HB VAL A 34 8.959 -7.461 7.455 1.00 1.00 H new ATOM 0 HG11 VAL A 34 11.105 -6.251 7.255 1.00 1.00 H new ATOM 0 HG12 VAL A 34 10.494 -6.772 5.667 1.00 1.00 H new ATOM 0 HG13 VAL A 34 10.335 -5.072 6.168 1.00 1.00 H new ATOM 0 HG21 VAL A 34 9.541 -5.632 9.057 1.00 1.00 H new ATOM 0 HG22 VAL A 34 8.715 -4.460 8.002 1.00 1.00 H new ATOM 0 HG23 VAL A 34 7.782 -5.742 8.811 1.00 1.00 H new ATOM 520 N LYS A 35 9.142 -6.216 4.106 1.00 1.00 N ATOM 521 CA LYS A 35 9.608 -5.609 2.835 1.00 1.00 C ATOM 522 C LYS A 35 8.384 -5.357 1.956 1.00 1.00 C ATOM 523 O LYS A 35 8.430 -4.599 1.008 1.00 1.00 O ATOM 524 CB LYS A 35 10.577 -6.559 2.129 1.00 1.00 C ATOM 525 CG LYS A 35 12.013 -6.180 2.491 1.00 1.00 C ATOM 526 CD LYS A 35 12.624 -5.345 1.363 1.00 1.00 C ATOM 527 CE LYS A 35 12.338 -3.862 1.611 1.00 1.00 C ATOM 528 NZ LYS A 35 13.313 -3.327 2.603 1.00 1.00 N ATOM 0 H LYS A 35 9.529 -7.134 4.325 1.00 1.00 H new ATOM 0 HA LYS A 35 10.130 -4.672 3.030 1.00 1.00 H new ATOM 0 HB2 LYS A 35 10.375 -7.588 2.425 1.00 1.00 H new ATOM 0 HB3 LYS A 35 10.436 -6.504 1.050 1.00 1.00 H new ATOM 0 HG2 LYS A 35 12.027 -5.615 3.423 1.00 1.00 H new ATOM 0 HG3 LYS A 35 12.607 -7.079 2.654 1.00 1.00 H new ATOM 0 HD2 LYS A 35 13.699 -5.515 1.312 1.00 1.00 H new ATOM 0 HD3 LYS A 35 12.207 -5.651 0.403 1.00 1.00 H new ATOM 0 HE2 LYS A 35 12.411 -3.305 0.677 1.00 1.00 H new ATOM 0 HE3 LYS A 35 11.320 -3.734 1.980 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 12.907 -2.493 3.074 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 13.522 -4.058 3.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 14.191 -3.056 2.116 1.00 1.00 H new ATOM 542 N LEU A 36 7.279 -5.975 2.283 1.00 1.00 N ATOM 543 CA LEU A 36 6.050 -5.779 1.517 1.00 1.00 C ATOM 544 C LEU A 36 5.436 -4.450 1.946 1.00 1.00 C ATOM 545 O LEU A 36 5.002 -3.652 1.139 1.00 1.00 O ATOM 546 CB LEU A 36 5.119 -6.922 1.896 1.00 1.00 C ATOM 547 CG LEU A 36 5.068 -7.966 0.773 1.00 1.00 C ATOM 548 CD1 LEU A 36 4.138 -7.474 -0.336 1.00 1.00 C ATOM 549 CD2 LEU A 36 6.471 -8.186 0.195 1.00 1.00 C ATOM 0 H LEU A 36 7.193 -6.618 3.070 1.00 1.00 H new ATOM 0 HA LEU A 36 6.227 -5.765 0.441 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.463 -7.388 2.819 1.00 1.00 H new ATOM 0 HB3 LEU A 36 4.118 -6.536 2.088 1.00 1.00 H new ATOM 0 HG LEU A 36 4.696 -8.907 1.179 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.101 -8.215 -1.135 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.137 -7.325 0.068 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.513 -6.531 -0.733 1.00 1.00 H new ATOM 0 HD21 LEU A 36 6.424 -8.929 -0.601 1.00 1.00 H new ATOM 0 HD22 LEU A 36 6.850 -7.247 -0.207 1.00 1.00 H new ATOM 0 HD23 LEU A 36 7.137 -8.539 0.982 1.00 1.00 H new ATOM 561 N VAL A 37 5.395 -4.224 3.230 1.00 1.00 N ATOM 562 CA VAL A 37 4.810 -2.967 3.762 1.00 1.00 C ATOM 563 C VAL A 37 5.727 -1.793 3.402 1.00 1.00 C ATOM 564 O VAL A 37 5.310 -0.828 2.798 1.00 1.00 O ATOM 565 CB VAL A 37 4.639 -3.124 5.286 1.00 1.00 C ATOM 566 CG1 VAL A 37 5.751 -2.413 6.056 1.00 1.00 C ATOM 567 CG2 VAL A 37 3.291 -2.540 5.699 1.00 1.00 C ATOM 0 H VAL A 37 5.747 -4.866 3.940 1.00 1.00 H new ATOM 0 HA VAL A 37 3.833 -2.765 3.324 1.00 1.00 H new ATOM 0 HB VAL A 37 4.689 -4.186 5.525 1.00 1.00 H new ATOM 0 HG11 VAL A 37 5.595 -2.547 7.126 1.00 1.00 H new ATOM 0 HG12 VAL A 37 6.716 -2.835 5.774 1.00 1.00 H new ATOM 0 HG13 VAL A 37 5.736 -1.350 5.817 1.00 1.00 H new ATOM 0 HG21 VAL A 37 3.163 -2.647 6.776 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.255 -1.484 5.433 1.00 1.00 H new ATOM 0 HG23 VAL A 37 2.491 -3.071 5.184 1.00 1.00 H new ATOM 577 N THR A 38 6.979 -1.876 3.746 1.00 1.00 N ATOM 578 CA THR A 38 7.915 -0.790 3.402 1.00 1.00 C ATOM 579 C THR A 38 7.729 -0.456 1.925 1.00 1.00 C ATOM 580 O THR A 38 7.721 0.694 1.532 1.00 1.00 O ATOM 581 CB THR A 38 9.331 -1.287 3.656 1.00 1.00 C ATOM 582 OG1 THR A 38 9.309 -2.257 4.695 1.00 1.00 O ATOM 583 CG2 THR A 38 10.210 -0.120 4.072 1.00 1.00 C ATOM 0 H THR A 38 7.391 -2.658 4.255 1.00 1.00 H new ATOM 0 HA THR A 38 7.732 0.102 4.002 1.00 1.00 H new ATOM 0 HB THR A 38 9.730 -1.735 2.746 1.00 1.00 H new ATOM 0 HG1 THR A 38 9.086 -3.134 4.319 1.00 1.00 H new ATOM 0 HG21 THR A 38 11.224 -0.475 4.254 1.00 1.00 H new ATOM 0 HG22 THR A 38 10.224 0.626 3.278 1.00 1.00 H new ATOM 0 HG23 THR A 38 9.813 0.328 4.983 1.00 1.00 H new ATOM 591 N HIS A 39 7.554 -1.456 1.104 1.00 1.00 N ATOM 592 CA HIS A 39 7.335 -1.194 -0.341 1.00 1.00 C ATOM 593 C HIS A 39 6.107 -0.296 -0.470 1.00 1.00 C ATOM 594 O HIS A 39 6.115 0.690 -1.178 1.00 1.00 O ATOM 595 CB HIS A 39 7.091 -2.511 -1.077 1.00 1.00 C ATOM 596 CG HIS A 39 7.134 -2.270 -2.561 1.00 1.00 C ATOM 597 ND1 HIS A 39 6.409 -3.037 -3.458 1.00 1.00 N ATOM 598 CD2 HIS A 39 7.809 -1.345 -3.320 1.00 1.00 C ATOM 599 CE1 HIS A 39 6.659 -2.566 -4.691 1.00 1.00 C ATOM 600 NE2 HIS A 39 7.508 -1.533 -4.664 1.00 1.00 N ATOM 0 H HIS A 39 7.554 -2.440 1.374 1.00 1.00 H new ATOM 0 HA HIS A 39 8.210 -0.712 -0.777 1.00 1.00 H new ATOM 0 HB2 HIS A 39 7.847 -3.244 -0.794 1.00 1.00 H new ATOM 0 HB3 HIS A 39 6.124 -2.925 -0.793 1.00 1.00 H new ATOM 0 HD1 HIS A 39 5.796 -3.818 -3.225 1.00 1.00 H new ATOM 0 HD2 HIS A 39 8.473 -0.587 -2.931 1.00 1.00 H new ATOM 0 HE1 HIS A 39 6.227 -2.972 -5.594 1.00 1.00 H new ATOM 608 N PHE A 40 5.055 -0.622 0.234 1.00 1.00 N ATOM 609 CA PHE A 40 3.833 0.228 0.174 1.00 1.00 C ATOM 610 C PHE A 40 4.255 1.683 0.403 1.00 1.00 C ATOM 611 O PHE A 40 3.826 2.587 -0.289 1.00 1.00 O ATOM 612 CB PHE A 40 2.854 -0.213 1.274 1.00 1.00 C ATOM 613 CG PHE A 40 1.808 0.855 1.491 1.00 1.00 C ATOM 614 CD1 PHE A 40 2.131 2.019 2.201 1.00 1.00 C ATOM 615 CD2 PHE A 40 0.514 0.682 0.983 1.00 1.00 C ATOM 616 CE1 PHE A 40 1.160 3.007 2.403 1.00 1.00 C ATOM 617 CE2 PHE A 40 -0.454 1.671 1.186 1.00 1.00 C ATOM 618 CZ PHE A 40 -0.132 2.834 1.896 1.00 1.00 C ATOM 0 H PHE A 40 4.990 -1.436 0.845 1.00 1.00 H new ATOM 0 HA PHE A 40 3.342 0.129 -0.794 1.00 1.00 H new ATOM 0 HB2 PHE A 40 2.375 -1.151 0.992 1.00 1.00 H new ATOM 0 HB3 PHE A 40 3.395 -0.398 2.202 1.00 1.00 H new ATOM 0 HD1 PHE A 40 3.129 2.154 2.592 1.00 1.00 H new ATOM 0 HD2 PHE A 40 0.264 -0.214 0.435 1.00 1.00 H new ATOM 0 HE1 PHE A 40 1.409 3.904 2.951 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -1.452 1.537 0.794 1.00 1.00 H new ATOM 0 HZ PHE A 40 -0.881 3.597 2.052 1.00 1.00 H new ATOM 628 N GLU A 41 5.101 1.908 1.372 1.00 1.00 N ATOM 629 CA GLU A 41 5.585 3.254 1.683 1.00 1.00 C ATOM 630 C GLU A 41 6.210 3.918 0.450 1.00 1.00 C ATOM 631 O GLU A 41 5.835 5.007 0.063 1.00 1.00 O ATOM 632 CB GLU A 41 6.635 3.056 2.758 1.00 1.00 C ATOM 633 CG GLU A 41 6.167 3.722 4.033 1.00 1.00 C ATOM 634 CD GLU A 41 7.172 4.793 4.461 1.00 1.00 C ATOM 635 OE1 GLU A 41 7.018 5.925 4.035 1.00 1.00 O ATOM 636 OE2 GLU A 41 8.078 4.460 5.206 1.00 1.00 O ATOM 0 H GLU A 41 5.481 1.177 1.974 1.00 1.00 H new ATOM 0 HA GLU A 41 4.773 3.905 2.007 1.00 1.00 H new ATOM 0 HB2 GLU A 41 6.803 1.993 2.929 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.586 3.482 2.438 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.186 4.172 3.879 1.00 1.00 H new ATOM 0 HG3 GLU A 41 6.057 2.979 4.822 1.00 1.00 H new ATOM 643 N GLU A 42 7.176 3.282 -0.154 1.00 1.00 N ATOM 644 CA GLU A 42 7.844 3.883 -1.345 1.00 1.00 C ATOM 645 C GLU A 42 6.854 4.029 -2.503 1.00 1.00 C ATOM 646 O GLU A 42 7.161 4.617 -3.521 1.00 1.00 O ATOM 647 CB GLU A 42 8.993 2.974 -1.783 1.00 1.00 C ATOM 648 CG GLU A 42 10.200 3.826 -2.183 1.00 1.00 C ATOM 649 CD GLU A 42 10.286 3.903 -3.707 1.00 1.00 C ATOM 650 OE1 GLU A 42 9.861 2.959 -4.354 1.00 1.00 O ATOM 651 OE2 GLU A 42 10.775 4.905 -4.204 1.00 1.00 O ATOM 0 H GLU A 42 7.533 2.369 0.126 1.00 1.00 H new ATOM 0 HA GLU A 42 8.220 4.870 -1.077 1.00 1.00 H new ATOM 0 HB2 GLU A 42 9.265 2.299 -0.972 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.679 2.354 -2.622 1.00 1.00 H new ATOM 0 HG2 GLU A 42 10.107 4.827 -1.762 1.00 1.00 H new ATOM 0 HG3 GLU A 42 11.115 3.393 -1.778 1.00 1.00 H new ATOM 658 N MET A 43 5.675 3.489 -2.371 1.00 1.00 N ATOM 659 CA MET A 43 4.688 3.592 -3.483 1.00 1.00 C ATOM 660 C MET A 43 3.845 4.864 -3.351 1.00 1.00 C ATOM 661 O MET A 43 3.900 5.744 -4.189 1.00 1.00 O ATOM 662 CB MET A 43 3.764 2.376 -3.454 1.00 1.00 C ATOM 663 CG MET A 43 3.997 1.528 -4.706 1.00 1.00 C ATOM 664 SD MET A 43 5.346 0.361 -4.399 1.00 1.00 S ATOM 665 CE MET A 43 6.468 0.966 -5.683 1.00 1.00 C ATOM 0 H MET A 43 5.353 2.983 -1.546 1.00 1.00 H new ATOM 0 HA MET A 43 5.234 3.630 -4.426 1.00 1.00 H new ATOM 0 HB2 MET A 43 3.954 1.783 -2.560 1.00 1.00 H new ATOM 0 HB3 MET A 43 2.724 2.698 -3.408 1.00 1.00 H new ATOM 0 HG2 MET A 43 3.087 0.988 -4.968 1.00 1.00 H new ATOM 0 HG3 MET A 43 4.242 2.169 -5.553 1.00 1.00 H new ATOM 0 HE1 MET A 43 6.750 0.142 -6.338 1.00 1.00 H new ATOM 0 HE2 MET A 43 5.969 1.739 -6.267 1.00 1.00 H new ATOM 0 HE3 MET A 43 7.362 1.382 -5.218 1.00 1.00 H new ATOM 675 N THR A 44 3.043 4.962 -2.326 1.00 1.00 N ATOM 676 CA THR A 44 2.176 6.172 -2.178 1.00 1.00 C ATOM 677 C THR A 44 2.872 7.262 -1.367 1.00 1.00 C ATOM 678 O THR A 44 2.332 8.328 -1.154 1.00 1.00 O ATOM 679 CB THR A 44 0.863 5.802 -1.495 1.00 1.00 C ATOM 680 OG1 THR A 44 0.357 6.937 -0.807 1.00 1.00 O ATOM 681 CG2 THR A 44 1.100 4.668 -0.507 1.00 1.00 C ATOM 0 H THR A 44 2.949 4.264 -1.588 1.00 1.00 H new ATOM 0 HA THR A 44 1.977 6.556 -3.179 1.00 1.00 H new ATOM 0 HB THR A 44 0.141 5.477 -2.245 1.00 1.00 H new ATOM 0 HG1 THR A 44 0.843 7.738 -1.095 1.00 1.00 H new ATOM 0 HG21 THR A 44 0.160 4.406 -0.021 1.00 1.00 H new ATOM 0 HG22 THR A 44 1.489 3.799 -1.037 1.00 1.00 H new ATOM 0 HG23 THR A 44 1.821 4.986 0.246 1.00 1.00 H new ATOM 689 N GLU A 45 4.056 7.007 -0.912 1.00 1.00 N ATOM 690 CA GLU A 45 4.775 8.039 -0.111 1.00 1.00 C ATOM 691 C GLU A 45 3.924 8.435 1.104 1.00 1.00 C ATOM 692 O GLU A 45 4.173 9.435 1.749 1.00 1.00 O ATOM 693 CB GLU A 45 5.027 9.272 -0.980 1.00 1.00 C ATOM 694 CG GLU A 45 6.475 9.265 -1.474 1.00 1.00 C ATOM 695 CD GLU A 45 7.051 10.680 -1.387 1.00 1.00 C ATOM 696 OE1 GLU A 45 6.847 11.320 -0.369 1.00 1.00 O ATOM 697 OE2 GLU A 45 7.685 11.099 -2.341 1.00 1.00 O ATOM 0 H GLU A 45 4.562 6.133 -1.055 1.00 1.00 H new ATOM 0 HA GLU A 45 5.727 7.633 0.232 1.00 1.00 H new ATOM 0 HB2 GLU A 45 4.343 9.277 -1.828 1.00 1.00 H new ATOM 0 HB3 GLU A 45 4.832 10.179 -0.408 1.00 1.00 H new ATOM 0 HG2 GLU A 45 7.072 8.580 -0.872 1.00 1.00 H new ATOM 0 HG3 GLU A 45 6.518 8.906 -2.502 1.00 1.00 H new ATOM 704 N HIS A 46 2.928 7.652 1.425 1.00 1.00 N ATOM 705 CA HIS A 46 2.067 7.971 2.601 1.00 1.00 C ATOM 706 C HIS A 46 2.966 8.387 3.773 1.00 1.00 C ATOM 707 O HIS A 46 4.064 7.886 3.907 1.00 1.00 O ATOM 708 CB HIS A 46 1.271 6.711 2.968 1.00 1.00 C ATOM 709 CG HIS A 46 -0.013 7.081 3.654 1.00 1.00 C ATOM 710 ND1 HIS A 46 -0.171 6.960 5.027 1.00 1.00 N ATOM 711 CD2 HIS A 46 -1.211 7.568 3.181 1.00 1.00 C ATOM 712 CE1 HIS A 46 -1.416 7.366 5.330 1.00 1.00 C ATOM 713 NE2 HIS A 46 -2.092 7.747 4.244 1.00 1.00 N ATOM 0 H HIS A 46 2.673 6.802 0.921 1.00 1.00 H new ATOM 0 HA HIS A 46 1.380 8.785 2.372 1.00 1.00 H new ATOM 0 HB2 HIS A 46 1.056 6.134 2.068 1.00 1.00 H new ATOM 0 HB3 HIS A 46 1.868 6.074 3.620 1.00 1.00 H new ATOM 0 HD2 HIS A 46 -1.433 7.779 2.145 1.00 1.00 H new ATOM 0 HE1 HIS A 46 -1.821 7.382 6.331 1.00 1.00 H new ATOM 0 HE2 HIS A 46 -3.050 8.095 4.202 1.00 1.00 H new ATOM 721 N PRO A 47 2.480 9.290 4.594 1.00 1.00 N ATOM 722 CA PRO A 47 3.240 9.775 5.760 1.00 1.00 C ATOM 723 C PRO A 47 3.302 8.687 6.832 1.00 1.00 C ATOM 724 O PRO A 47 4.331 8.463 7.440 1.00 1.00 O ATOM 725 CB PRO A 47 2.452 11.002 6.227 1.00 1.00 C ATOM 726 CG PRO A 47 1.024 10.841 5.661 1.00 1.00 C ATOM 727 CD PRO A 47 1.141 9.898 4.449 1.00 1.00 C ATOM 0 HA PRO A 47 4.277 10.026 5.535 1.00 1.00 H new ATOM 0 HB2 PRO A 47 2.434 11.062 7.315 1.00 1.00 H new ATOM 0 HB3 PRO A 47 2.913 11.921 5.865 1.00 1.00 H new ATOM 0 HG2 PRO A 47 0.353 10.426 6.413 1.00 1.00 H new ATOM 0 HG3 PRO A 47 0.613 11.806 5.364 1.00 1.00 H new ATOM 0 HD2 PRO A 47 0.357 9.141 4.456 1.00 1.00 H new ATOM 0 HD3 PRO A 47 1.050 10.443 3.509 1.00 1.00 H new ATOM 735 N SER A 48 2.227 7.981 7.045 1.00 1.00 N ATOM 736 CA SER A 48 2.251 6.888 8.043 1.00 1.00 C ATOM 737 C SER A 48 2.998 5.720 7.414 1.00 1.00 C ATOM 738 O SER A 48 3.684 4.965 8.075 1.00 1.00 O ATOM 739 CB SER A 48 0.823 6.462 8.364 1.00 1.00 C ATOM 740 OG SER A 48 0.528 6.765 9.720 1.00 1.00 O ATOM 0 H SER A 48 1.335 8.117 6.569 1.00 1.00 H new ATOM 0 HA SER A 48 2.736 7.212 8.964 1.00 1.00 H new ATOM 0 HB2 SER A 48 0.123 6.976 7.706 1.00 1.00 H new ATOM 0 HB3 SER A 48 0.703 5.393 8.185 1.00 1.00 H new ATOM 0 HG SER A 48 -0.444 6.798 9.844 1.00 1.00 H new ATOM 746 N GLY A 49 2.868 5.580 6.124 1.00 1.00 N ATOM 747 CA GLY A 49 3.556 4.482 5.409 1.00 1.00 C ATOM 748 C GLY A 49 3.063 3.147 5.940 1.00 1.00 C ATOM 749 O GLY A 49 1.946 2.736 5.693 1.00 1.00 O ATOM 0 H GLY A 49 2.305 6.191 5.532 1.00 1.00 H new ATOM 0 HA2 GLY A 49 3.363 4.554 4.339 1.00 1.00 H new ATOM 0 HA3 GLY A 49 4.634 4.564 5.545 1.00 1.00 H new ATOM 753 N SER A 50 3.892 2.470 6.667 1.00 1.00 N ATOM 754 CA SER A 50 3.487 1.150 7.220 1.00 1.00 C ATOM 755 C SER A 50 2.533 1.340 8.398 1.00 1.00 C ATOM 756 O SER A 50 2.159 0.387 9.050 1.00 1.00 O ATOM 757 CB SER A 50 4.721 0.375 7.681 1.00 1.00 C ATOM 758 OG SER A 50 5.879 1.179 7.506 1.00 1.00 O ATOM 0 H SER A 50 4.837 2.770 6.906 1.00 1.00 H new ATOM 0 HA SER A 50 2.979 0.586 6.438 1.00 1.00 H new ATOM 0 HB2 SER A 50 4.616 0.093 8.729 1.00 1.00 H new ATOM 0 HB3 SER A 50 4.817 -0.549 7.111 1.00 1.00 H new ATOM 0 HG SER A 50 6.670 0.683 7.803 1.00 1.00 H new ATOM 764 N ASP A 51 2.111 2.545 8.670 1.00 1.00 N ATOM 765 CA ASP A 51 1.169 2.756 9.777 1.00 1.00 C ATOM 766 C ASP A 51 -0.228 2.487 9.241 1.00 1.00 C ATOM 767 O ASP A 51 -1.073 1.951 9.913 1.00 1.00 O ATOM 768 CB ASP A 51 1.253 4.210 10.215 1.00 1.00 C ATOM 769 CG ASP A 51 1.516 4.305 11.720 1.00 1.00 C ATOM 770 OD1 ASP A 51 1.678 3.267 12.339 1.00 1.00 O ATOM 771 OD2 ASP A 51 1.551 5.415 12.225 1.00 1.00 O ATOM 0 H ASP A 51 2.386 3.388 8.165 1.00 1.00 H new ATOM 0 HA ASP A 51 1.398 2.102 10.619 1.00 1.00 H new ATOM 0 HB2 ASP A 51 2.050 4.715 9.669 1.00 1.00 H new ATOM 0 HB3 ASP A 51 0.323 4.724 9.970 1.00 1.00 H new ATOM 776 N LEU A 52 -0.467 2.846 8.013 1.00 1.00 N ATOM 777 CA LEU A 52 -1.803 2.615 7.424 1.00 1.00 C ATOM 778 C LEU A 52 -2.239 1.188 7.735 1.00 1.00 C ATOM 779 O LEU A 52 -3.413 0.886 7.822 1.00 1.00 O ATOM 780 CB LEU A 52 -1.709 2.855 5.926 1.00 1.00 C ATOM 781 CG LEU A 52 -2.662 3.980 5.478 1.00 1.00 C ATOM 782 CD1 LEU A 52 -2.809 5.054 6.566 1.00 1.00 C ATOM 783 CD2 LEU A 52 -2.082 4.643 4.231 1.00 1.00 C ATOM 0 H LEU A 52 0.210 3.291 7.393 1.00 1.00 H new ATOM 0 HA LEU A 52 -2.545 3.295 7.842 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -0.685 3.116 5.661 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -1.952 1.936 5.392 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.641 3.543 5.280 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.488 5.833 6.219 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -3.210 4.601 7.473 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -1.834 5.491 6.780 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -2.746 5.442 3.902 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.101 5.058 4.463 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.984 3.902 3.437 1.00 1.00 H new ATOM 795 N ILE A 53 -1.294 0.319 7.944 1.00 1.00 N ATOM 796 CA ILE A 53 -1.630 -1.083 8.297 1.00 1.00 C ATOM 797 C ILE A 53 -1.399 -1.247 9.801 1.00 1.00 C ATOM 798 O ILE A 53 -2.193 -1.832 10.511 1.00 1.00 O ATOM 799 CB ILE A 53 -0.709 -2.033 7.524 1.00 1.00 C ATOM 800 CG1 ILE A 53 -0.759 -1.683 6.036 1.00 1.00 C ATOM 801 CG2 ILE A 53 -1.168 -3.479 7.721 1.00 1.00 C ATOM 802 CD1 ILE A 53 0.664 -1.616 5.479 1.00 1.00 C ATOM 0 H ILE A 53 -0.296 0.522 7.885 1.00 1.00 H new ATOM 0 HA ILE A 53 -2.665 -1.313 8.043 1.00 1.00 H new ATOM 0 HB ILE A 53 0.311 -1.928 7.895 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -1.338 -2.432 5.495 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -1.262 -0.727 5.893 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -0.509 -4.148 7.169 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -1.135 -3.730 8.781 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -2.188 -3.590 7.354 1.00 1.00 H new ATOM 0 HD11 ILE A 53 0.628 -1.367 4.419 1.00 1.00 H new ATOM 0 HD12 ILE A 53 1.228 -0.851 6.013 1.00 1.00 H new ATOM 0 HD13 ILE A 53 1.151 -2.582 5.608 1.00 1.00 H new ATOM 814 N TYR A 54 -0.313 -0.704 10.284 1.00 1.00 N ATOM 815 CA TYR A 54 0.001 -0.780 11.741 1.00 1.00 C ATOM 816 C TYR A 54 -0.503 0.483 12.432 1.00 1.00 C ATOM 817 O TYR A 54 0.099 0.977 13.364 1.00 1.00 O ATOM 818 CB TYR A 54 1.510 -0.876 11.933 1.00 1.00 C ATOM 819 CG TYR A 54 2.046 -2.082 11.201 1.00 1.00 C ATOM 820 CD1 TYR A 54 1.464 -3.339 11.401 1.00 1.00 C ATOM 821 CD2 TYR A 54 3.128 -1.943 10.325 1.00 1.00 C ATOM 822 CE1 TYR A 54 1.965 -4.458 10.724 1.00 1.00 C ATOM 823 CE2 TYR A 54 3.628 -3.061 9.647 1.00 1.00 C ATOM 824 CZ TYR A 54 3.048 -4.317 9.847 1.00 1.00 C ATOM 825 OH TYR A 54 3.543 -5.420 9.180 1.00 1.00 O ATOM 0 H TYR A 54 0.378 -0.205 9.724 1.00 1.00 H new ATOM 0 HA TYR A 54 -0.483 -1.658 12.169 1.00 1.00 H new ATOM 0 HB2 TYR A 54 1.991 0.029 11.561 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.746 -0.950 12.995 1.00 1.00 H new ATOM 0 HD1 TYR A 54 0.629 -3.446 12.077 1.00 1.00 H new ATOM 0 HD2 TYR A 54 3.578 -0.973 10.172 1.00 1.00 H new ATOM 0 HE1 TYR A 54 1.517 -5.428 10.878 1.00 1.00 H new ATOM 0 HE2 TYR A 54 4.462 -2.953 8.969 1.00 1.00 H new ATOM 0 HH TYR A 54 4.293 -5.149 8.611 1.00 1.00 H new ATOM 835 N TYR A 55 -1.587 1.023 11.970 1.00 1.00 N ATOM 836 CA TYR A 55 -2.113 2.270 12.580 1.00 1.00 C ATOM 837 C TYR A 55 -3.620 2.389 12.320 1.00 1.00 C ATOM 838 O TYR A 55 -4.070 3.342 11.716 1.00 1.00 O ATOM 839 CB TYR A 55 -1.392 3.488 11.970 1.00 1.00 C ATOM 840 CG TYR A 55 -1.110 4.498 13.057 1.00 1.00 C ATOM 841 CD1 TYR A 55 -0.226 4.184 14.096 1.00 1.00 C ATOM 842 CD2 TYR A 55 -1.735 5.751 13.027 1.00 1.00 C ATOM 843 CE1 TYR A 55 0.030 5.120 15.105 1.00 1.00 C ATOM 844 CE2 TYR A 55 -1.478 6.688 14.035 1.00 1.00 C ATOM 845 CZ TYR A 55 -0.594 6.372 15.074 1.00 1.00 C ATOM 846 OH TYR A 55 -0.343 7.294 16.069 1.00 1.00 O ATOM 0 H TYR A 55 -2.135 0.655 11.193 1.00 1.00 H new ATOM 0 HA TYR A 55 -1.936 2.239 13.655 1.00 1.00 H new ATOM 0 HB2 TYR A 55 -0.461 3.175 11.498 1.00 1.00 H new ATOM 0 HB3 TYR A 55 -2.008 3.937 11.191 1.00 1.00 H new ATOM 0 HD1 TYR A 55 0.259 3.219 14.119 1.00 1.00 H new ATOM 0 HD2 TYR A 55 -2.416 5.995 12.225 1.00 1.00 H new ATOM 0 HE1 TYR A 55 0.710 4.876 15.908 1.00 1.00 H new ATOM 0 HE2 TYR A 55 -1.961 7.654 14.011 1.00 1.00 H new ATOM 0 HH TYR A 55 -0.856 8.111 15.895 1.00 1.00 H new ATOM 856 N PRO A 56 -4.354 1.416 12.794 1.00 1.00 N ATOM 857 CA PRO A 56 -5.818 1.377 12.645 1.00 1.00 C ATOM 858 C PRO A 56 -6.478 2.270 13.701 1.00 1.00 C ATOM 859 O PRO A 56 -6.221 2.140 14.882 1.00 1.00 O ATOM 860 CB PRO A 56 -6.162 -0.095 12.884 1.00 1.00 C ATOM 861 CG PRO A 56 -4.989 -0.691 13.703 1.00 1.00 C ATOM 862 CD PRO A 56 -3.792 0.262 13.521 1.00 1.00 C ATOM 0 HA PRO A 56 -6.165 1.738 11.677 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -7.103 -0.191 13.426 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -6.284 -0.624 11.939 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -5.257 -0.778 14.756 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -4.742 -1.693 13.353 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -3.373 0.562 14.481 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -2.989 -0.211 12.956 1.00 1.00 H new ATOM 938 N ASP A 62 -8.563 -2.691 10.425 1.00 1.00 N ATOM 939 CA ASP A 62 -7.181 -2.706 9.870 1.00 1.00 C ATOM 940 C ASP A 62 -7.134 -3.612 8.642 1.00 1.00 C ATOM 941 O ASP A 62 -6.160 -4.299 8.402 1.00 1.00 O ATOM 942 CB ASP A 62 -6.190 -3.221 10.919 1.00 1.00 C ATOM 943 CG ASP A 62 -6.924 -3.954 12.045 1.00 1.00 C ATOM 944 OD1 ASP A 62 -7.340 -5.079 11.820 1.00 1.00 O ATOM 945 OD2 ASP A 62 -7.055 -3.380 13.113 1.00 1.00 O ATOM 0 HA ASP A 62 -6.904 -1.689 9.590 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -5.472 -3.893 10.449 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -5.623 -2.386 11.331 1.00 1.00 H new ATOM 950 N SER A 63 -8.174 -3.618 7.858 1.00 1.00 N ATOM 951 CA SER A 63 -8.185 -4.477 6.641 1.00 1.00 C ATOM 952 C SER A 63 -7.232 -3.883 5.602 1.00 1.00 C ATOM 953 O SER A 63 -6.760 -2.775 5.761 1.00 1.00 O ATOM 954 CB SER A 63 -9.600 -4.525 6.065 1.00 1.00 C ATOM 955 OG SER A 63 -10.522 -4.072 7.046 1.00 1.00 O ATOM 0 H SER A 63 -9.018 -3.065 8.007 1.00 1.00 H new ATOM 0 HA SER A 63 -7.865 -5.487 6.899 1.00 1.00 H new ATOM 0 HB2 SER A 63 -9.664 -3.901 5.174 1.00 1.00 H new ATOM 0 HB3 SER A 63 -9.846 -5.542 5.760 1.00 1.00 H new ATOM 0 HG SER A 63 -11.430 -4.100 6.679 1.00 1.00 H new ATOM 961 N PRO A 64 -6.980 -4.638 4.566 1.00 1.00 N ATOM 962 CA PRO A 64 -6.089 -4.213 3.474 1.00 1.00 C ATOM 963 C PRO A 64 -6.809 -3.229 2.547 1.00 1.00 C ATOM 964 O PRO A 64 -6.386 -2.107 2.368 1.00 1.00 O ATOM 965 CB PRO A 64 -5.765 -5.518 2.744 1.00 1.00 C ATOM 966 CG PRO A 64 -6.906 -6.506 3.091 1.00 1.00 C ATOM 967 CD PRO A 64 -7.559 -5.985 4.386 1.00 1.00 C ATOM 0 HA PRO A 64 -5.196 -3.697 3.826 1.00 1.00 H new ATOM 0 HB2 PRO A 64 -5.705 -5.357 1.668 1.00 1.00 H new ATOM 0 HB3 PRO A 64 -4.800 -5.912 3.062 1.00 1.00 H new ATOM 0 HG2 PRO A 64 -7.635 -6.556 2.282 1.00 1.00 H new ATOM 0 HG3 PRO A 64 -6.516 -7.514 3.232 1.00 1.00 H new ATOM 0 HD2 PRO A 64 -8.644 -5.943 4.296 1.00 1.00 H new ATOM 0 HD3 PRO A 64 -7.334 -6.632 5.234 1.00 1.00 H new ATOM 975 N SER A 65 -7.894 -3.646 1.956 1.00 1.00 N ATOM 976 CA SER A 65 -8.641 -2.743 1.036 1.00 1.00 C ATOM 977 C SER A 65 -8.932 -1.410 1.732 1.00 1.00 C ATOM 978 O SER A 65 -8.716 -0.358 1.173 1.00 1.00 O ATOM 979 CB SER A 65 -9.961 -3.401 0.634 1.00 1.00 C ATOM 980 OG SER A 65 -10.494 -2.731 -0.502 1.00 1.00 O ATOM 0 H SER A 65 -8.297 -4.576 2.071 1.00 1.00 H new ATOM 0 HA SER A 65 -8.035 -2.561 0.148 1.00 1.00 H new ATOM 0 HB2 SER A 65 -9.801 -4.455 0.407 1.00 1.00 H new ATOM 0 HB3 SER A 65 -10.669 -3.357 1.462 1.00 1.00 H new ATOM 0 HG SER A 65 -10.730 -3.389 -1.189 1.00 1.00 H new ATOM 986 N GLY A 66 -9.448 -1.444 2.931 1.00 1.00 N ATOM 987 CA GLY A 66 -9.781 -0.186 3.639 1.00 1.00 C ATOM 988 C GLY A 66 -8.549 0.692 3.813 1.00 1.00 C ATOM 989 O GLY A 66 -8.636 1.900 3.924 1.00 1.00 O ATOM 0 H GLY A 66 -9.653 -2.298 3.450 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -10.542 0.358 3.080 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -10.207 -0.417 4.615 1.00 1.00 H new ATOM 993 N ILE A 67 -7.411 0.093 3.833 1.00 1.00 N ATOM 994 CA ILE A 67 -6.148 0.876 3.997 1.00 1.00 C ATOM 995 C ILE A 67 -5.739 1.440 2.636 1.00 1.00 C ATOM 996 O ILE A 67 -5.170 2.510 2.533 1.00 1.00 O ATOM 997 CB ILE A 67 -5.043 -0.034 4.540 1.00 1.00 C ATOM 998 CG1 ILE A 67 -5.365 -0.407 5.990 1.00 1.00 C ATOM 999 CG2 ILE A 67 -3.706 0.709 4.491 1.00 1.00 C ATOM 1000 CD1 ILE A 67 -4.494 -1.587 6.428 1.00 1.00 C ATOM 0 H ILE A 67 -7.285 -0.915 3.743 1.00 1.00 H new ATOM 0 HA ILE A 67 -6.306 1.693 4.701 1.00 1.00 H new ATOM 0 HB ILE A 67 -4.980 -0.938 3.934 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -5.189 0.448 6.643 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -6.419 -0.667 6.083 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -2.917 0.064 4.877 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -3.479 0.983 3.461 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -3.768 1.611 5.101 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -4.727 -1.848 7.460 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -4.691 -2.444 5.784 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -3.442 -1.311 6.352 1.00 1.00 H new ATOM 1012 N VAL A 68 -6.056 0.732 1.594 1.00 1.00 N ATOM 1013 CA VAL A 68 -5.730 1.200 0.217 1.00 1.00 C ATOM 1014 C VAL A 68 -6.773 2.232 -0.172 1.00 1.00 C ATOM 1015 O VAL A 68 -6.573 3.049 -1.042 1.00 1.00 O ATOM 1016 CB VAL A 68 -5.800 0.007 -0.733 1.00 1.00 C ATOM 1017 CG1 VAL A 68 -4.822 0.193 -1.894 1.00 1.00 C ATOM 1018 CG2 VAL A 68 -5.446 -1.263 0.037 1.00 1.00 C ATOM 0 H VAL A 68 -6.536 -0.167 1.636 1.00 1.00 H new ATOM 0 HA VAL A 68 -4.732 1.636 0.169 1.00 1.00 H new ATOM 0 HB VAL A 68 -6.809 -0.071 -1.137 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -4.883 -0.666 -2.563 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -5.077 1.099 -2.443 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -3.807 0.278 -1.505 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -5.494 -2.121 -0.634 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -4.438 -1.174 0.441 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -6.154 -1.402 0.854 1.00 1.00 H new ATOM 1028 N ASN A 69 -7.881 2.212 0.503 1.00 1.00 N ATOM 1029 CA ASN A 69 -8.934 3.217 0.220 1.00 1.00 C ATOM 1030 C ASN A 69 -8.462 4.525 0.845 1.00 1.00 C ATOM 1031 O ASN A 69 -8.691 5.606 0.334 1.00 1.00 O ATOM 1032 CB ASN A 69 -10.258 2.776 0.856 1.00 1.00 C ATOM 1033 CG ASN A 69 -11.377 3.712 0.394 1.00 1.00 C ATOM 1034 OD1 ASN A 69 -11.300 4.910 0.581 1.00 1.00 O ATOM 1035 ND2 ASN A 69 -12.425 3.213 -0.204 1.00 1.00 N ATOM 0 H ASN A 69 -8.104 1.543 1.240 1.00 1.00 H new ATOM 0 HA ASN A 69 -9.099 3.330 -0.851 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -10.487 1.749 0.572 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -10.177 2.796 1.943 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -13.177 3.829 -0.513 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -12.492 2.208 -0.362 1.00 1.00 H new ATOM 1042 N THR A 70 -7.769 4.417 1.951 1.00 1.00 N ATOM 1043 CA THR A 70 -7.237 5.626 2.628 1.00 1.00 C ATOM 1044 C THR A 70 -6.203 6.286 1.706 1.00 1.00 C ATOM 1045 O THR A 70 -6.289 7.459 1.417 1.00 1.00 O ATOM 1046 CB THR A 70 -6.611 5.205 3.977 1.00 1.00 C ATOM 1047 OG1 THR A 70 -7.379 5.755 5.036 1.00 1.00 O ATOM 1048 CG2 THR A 70 -5.163 5.695 4.104 1.00 1.00 C ATOM 0 H THR A 70 -7.551 3.534 2.413 1.00 1.00 H new ATOM 0 HA THR A 70 -8.028 6.348 2.830 1.00 1.00 H new ATOM 0 HB THR A 70 -6.609 4.116 4.026 1.00 1.00 H new ATOM 0 HG1 THR A 70 -6.988 5.490 5.895 1.00 1.00 H new ATOM 0 HG21 THR A 70 -4.755 5.381 5.065 1.00 1.00 H new ATOM 0 HG22 THR A 70 -4.563 5.270 3.299 1.00 1.00 H new ATOM 0 HG23 THR A 70 -5.140 6.783 4.039 1.00 1.00 H new ATOM 1056 N VAL A 71 -5.236 5.540 1.231 1.00 1.00 N ATOM 1057 CA VAL A 71 -4.222 6.143 0.318 1.00 1.00 C ATOM 1058 C VAL A 71 -4.932 6.669 -0.916 1.00 1.00 C ATOM 1059 O VAL A 71 -4.706 7.773 -1.355 1.00 1.00 O ATOM 1060 CB VAL A 71 -3.180 5.103 -0.094 1.00 1.00 C ATOM 1061 CG1 VAL A 71 -3.746 4.191 -1.171 1.00 1.00 C ATOM 1062 CG2 VAL A 71 -1.949 5.825 -0.646 1.00 1.00 C ATOM 0 H VAL A 71 -5.107 4.549 1.435 1.00 1.00 H new ATOM 0 HA VAL A 71 -3.710 6.954 0.835 1.00 1.00 H new ATOM 0 HB VAL A 71 -2.909 4.503 0.775 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -2.995 3.455 -1.456 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -4.628 3.679 -0.787 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -4.021 4.785 -2.043 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -1.200 5.091 -0.943 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -2.235 6.422 -1.512 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -1.534 6.477 0.123 1.00 1.00 H new ATOM 1072 N LYS A 72 -5.787 5.875 -1.477 1.00 1.00 N ATOM 1073 CA LYS A 72 -6.529 6.317 -2.691 1.00 1.00 C ATOM 1074 C LYS A 72 -6.982 7.766 -2.496 1.00 1.00 C ATOM 1075 O LYS A 72 -7.036 8.543 -3.429 1.00 1.00 O ATOM 1076 CB LYS A 72 -7.750 5.420 -2.906 1.00 1.00 C ATOM 1077 CG LYS A 72 -7.952 5.185 -4.404 1.00 1.00 C ATOM 1078 CD LYS A 72 -9.441 4.980 -4.693 1.00 1.00 C ATOM 1079 CE LYS A 72 -9.744 3.484 -4.777 1.00 1.00 C ATOM 1080 NZ LYS A 72 -9.517 2.857 -3.445 1.00 1.00 N ATOM 0 H LYS A 72 -6.009 4.934 -1.151 1.00 1.00 H new ATOM 0 HA LYS A 72 -5.880 6.248 -3.564 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -7.610 4.468 -2.393 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -8.637 5.886 -2.477 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -7.575 6.036 -4.970 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -7.385 4.312 -4.726 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -10.041 5.440 -3.908 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -9.711 5.470 -5.629 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -10.775 3.328 -5.094 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -9.106 3.014 -5.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -9.970 1.921 -3.420 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -8.496 2.752 -3.281 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -9.927 3.460 -2.703 1.00 1.00 H new ATOM 1094 N GLN A 73 -7.303 8.137 -1.284 1.00 1.00 N ATOM 1095 CA GLN A 73 -7.747 9.533 -1.021 1.00 1.00 C ATOM 1096 C GLN A 73 -6.533 10.414 -0.697 1.00 1.00 C ATOM 1097 O GLN A 73 -6.513 11.593 -0.991 1.00 1.00 O ATOM 1098 CB GLN A 73 -8.714 9.542 0.165 1.00 1.00 C ATOM 1099 CG GLN A 73 -10.018 8.845 -0.229 1.00 1.00 C ATOM 1100 CD GLN A 73 -11.156 9.351 0.661 1.00 1.00 C ATOM 1101 OE1 GLN A 73 -12.262 9.545 0.201 1.00 1.00 O ATOM 1102 NE2 GLN A 73 -10.926 9.573 1.927 1.00 1.00 N ATOM 0 H GLN A 73 -7.276 7.530 -0.465 1.00 1.00 H new ATOM 0 HA GLN A 73 -8.248 9.925 -1.907 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -8.263 9.036 1.018 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -8.917 10.568 0.474 1.00 1.00 H new ATOM 0 HG2 GLN A 73 -10.246 9.042 -1.276 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -9.912 7.765 -0.124 1.00 1.00 H new ATOM 0 HE21 GLN A 73 -9.996 9.410 2.313 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -11.676 9.910 2.530 1.00 1.00 H new ATOM 1111 N TRP A 74 -5.525 9.852 -0.085 1.00 1.00 N ATOM 1112 CA TRP A 74 -4.312 10.645 0.271 1.00 1.00 C ATOM 1113 C TRP A 74 -3.662 11.203 -0.984 1.00 1.00 C ATOM 1114 O TRP A 74 -3.149 12.291 -0.989 1.00 1.00 O ATOM 1115 CB TRP A 74 -3.304 9.737 0.961 1.00 1.00 C ATOM 1116 CG TRP A 74 -2.294 10.576 1.675 1.00 1.00 C ATOM 1117 CD1 TRP A 74 -2.465 11.135 2.895 1.00 1.00 C ATOM 1118 CD2 TRP A 74 -0.963 10.965 1.229 1.00 1.00 C ATOM 1119 NE1 TRP A 74 -1.322 11.842 3.227 1.00 1.00 N ATOM 1120 CE2 TRP A 74 -0.367 11.767 2.231 1.00 1.00 C ATOM 1121 CE3 TRP A 74 -0.222 10.702 0.062 1.00 1.00 C ATOM 1122 CZ2 TRP A 74 0.918 12.289 2.080 1.00 1.00 C ATOM 1123 CZ3 TRP A 74 1.071 11.225 -0.092 1.00 1.00 C ATOM 1124 CH2 TRP A 74 1.641 12.018 0.915 1.00 1.00 C ATOM 0 H TRP A 74 -5.490 8.869 0.186 1.00 1.00 H new ATOM 0 HA TRP A 74 -4.610 11.462 0.928 1.00 1.00 H new ATOM 0 HB2 TRP A 74 -3.812 9.080 1.666 1.00 1.00 H new ATOM 0 HB3 TRP A 74 -2.811 9.098 0.228 1.00 1.00 H new ATOM 0 HD1 TRP A 74 -3.349 11.045 3.509 1.00 1.00 H new ATOM 0 HE1 TRP A 74 -1.200 12.355 4.100 1.00 1.00 H new ATOM 0 HE3 TRP A 74 -0.651 10.094 -0.720 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 1.351 12.899 2.859 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 1.631 11.016 -0.992 1.00 1.00 H new ATOM 0 HH2 TRP A 74 2.636 12.418 0.790 1.00 1.00 H new ATOM 1135 N ARG A 75 -3.646 10.449 -2.034 1.00 1.00 N ATOM 1136 CA ARG A 75 -3.013 10.913 -3.277 1.00 1.00 C ATOM 1137 C ARG A 75 -3.921 11.924 -3.978 1.00 1.00 C ATOM 1138 O ARG A 75 -3.517 12.603 -4.895 1.00 1.00 O ATOM 1139 CB ARG A 75 -2.802 9.694 -4.163 1.00 1.00 C ATOM 1140 CG ARG A 75 -2.161 8.560 -3.356 1.00 1.00 C ATOM 1141 CD ARG A 75 -0.641 8.692 -3.418 1.00 1.00 C ATOM 1142 NE ARG A 75 -0.166 8.389 -4.798 1.00 1.00 N ATOM 1143 CZ ARG A 75 1.111 8.430 -5.074 1.00 1.00 C ATOM 1144 NH1 ARG A 75 1.986 8.514 -4.110 1.00 1.00 N ATOM 1145 NH2 ARG A 75 1.512 8.403 -6.316 1.00 1.00 N ATOM 0 H ARG A 75 -4.053 9.515 -2.081 1.00 1.00 H new ATOM 0 HA ARG A 75 -2.062 11.402 -3.067 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -3.756 9.364 -4.574 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -2.164 9.955 -5.008 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -2.499 8.599 -2.320 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -2.470 7.594 -3.756 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -0.342 9.701 -3.134 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -0.178 8.009 -2.706 1.00 1.00 H new ATOM 0 HE ARG A 75 -0.838 8.150 -5.527 1.00 1.00 H new ATOM 0 HH11 ARG A 75 1.674 8.548 -3.139 1.00 1.00 H new ATOM 0 HH12 ARG A 75 2.982 8.546 -4.327 1.00 1.00 H new ATOM 0 HH21 ARG A 75 0.829 8.350 -7.071 1.00 1.00 H new ATOM 0 HH22 ARG A 75 2.509 8.435 -6.531 1.00 1.00 H new ATOM 1159 N ALA A 76 -5.144 12.049 -3.563 1.00 1.00 N ATOM 1160 CA ALA A 76 -6.019 13.050 -4.226 1.00 1.00 C ATOM 1161 C ALA A 76 -5.907 14.358 -3.450 1.00 1.00 C ATOM 1162 O ALA A 76 -6.074 15.439 -3.979 1.00 1.00 O ATOM 1163 CB ALA A 76 -7.468 12.561 -4.237 1.00 1.00 C ATOM 0 H ALA A 76 -5.572 11.513 -2.808 1.00 1.00 H new ATOM 0 HA ALA A 76 -5.708 13.198 -5.260 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -8.099 13.304 -4.726 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -7.530 11.618 -4.781 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -7.810 12.412 -3.213 1.00 1.00 H new ATOM 1169 N ALA A 77 -5.603 14.245 -2.192 1.00 1.00 N ATOM 1170 CA ALA A 77 -5.440 15.439 -1.323 1.00 1.00 C ATOM 1171 C ALA A 77 -4.025 15.961 -1.488 1.00 1.00 C ATOM 1172 O ALA A 77 -3.782 17.137 -1.674 1.00 1.00 O ATOM 1173 CB ALA A 77 -5.614 15.006 0.120 1.00 1.00 C ATOM 0 H ALA A 77 -5.457 13.354 -1.718 1.00 1.00 H new ATOM 0 HA ALA A 77 -6.168 16.205 -1.588 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -5.498 15.869 0.775 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -6.608 14.579 0.255 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -4.861 14.258 0.369 1.00 1.00 H new ATOM 1179 N ASN A 78 -3.097 15.059 -1.429 1.00 1.00 N ATOM 1180 CA ASN A 78 -1.685 15.392 -1.582 1.00 1.00 C ATOM 1181 C ASN A 78 -1.390 15.574 -3.062 1.00 1.00 C ATOM 1182 O ASN A 78 -0.265 15.794 -3.464 1.00 1.00 O ATOM 1183 CB ASN A 78 -0.884 14.227 -1.023 1.00 1.00 C ATOM 1184 CG ASN A 78 -0.883 14.303 0.497 1.00 1.00 C ATOM 1185 OD1 ASN A 78 0.098 14.688 1.103 1.00 1.00 O ATOM 1186 ND2 ASN A 78 -1.957 13.942 1.140 1.00 1.00 N ATOM 0 H ASN A 78 -3.279 14.067 -1.274 1.00 1.00 H new ATOM 0 HA ASN A 78 -1.426 16.311 -1.056 1.00 1.00 H new ATOM 0 HB2 ASN A 78 -1.317 13.282 -1.351 1.00 1.00 H new ATOM 0 HB3 ASN A 78 0.138 14.258 -1.401 1.00 1.00 H new ATOM 0 HD21 ASN A 78 -1.979 13.981 2.159 1.00 1.00 H new ATOM 0 HD22 ASN A 78 -2.776 13.620 0.624 1.00 1.00 H new ATOM 1193 N GLY A 79 -2.401 15.479 -3.882 1.00 1.00 N ATOM 1194 CA GLY A 79 -2.176 15.643 -5.340 1.00 1.00 C ATOM 1195 C GLY A 79 -0.978 14.790 -5.747 1.00 1.00 C ATOM 1196 O GLY A 79 -0.076 15.246 -6.421 1.00 1.00 O ATOM 0 H GLY A 79 -3.365 15.296 -3.605 1.00 1.00 H new ATOM 0 HA2 GLY A 79 -3.063 15.339 -5.896 1.00 1.00 H new ATOM 0 HA3 GLY A 79 -1.993 16.691 -5.579 1.00 1.00 H new ATOM 1200 N LYS A 80 -0.966 13.553 -5.336 1.00 1.00 N ATOM 1201 CA LYS A 80 0.176 12.665 -5.691 1.00 1.00 C ATOM 1202 C LYS A 80 0.006 12.192 -7.138 1.00 1.00 C ATOM 1203 O LYS A 80 -0.786 12.731 -7.886 1.00 1.00 O ATOM 1204 CB LYS A 80 0.208 11.451 -4.760 1.00 1.00 C ATOM 1205 CG LYS A 80 0.946 11.808 -3.472 1.00 1.00 C ATOM 1206 CD LYS A 80 2.379 12.242 -3.792 1.00 1.00 C ATOM 1207 CE LYS A 80 2.658 13.603 -3.151 1.00 1.00 C ATOM 1208 NZ LYS A 80 3.095 14.567 -4.201 1.00 1.00 N ATOM 0 H LYS A 80 -1.696 13.119 -4.771 1.00 1.00 H new ATOM 0 HA LYS A 80 1.110 13.217 -5.584 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -0.808 11.130 -4.531 1.00 1.00 H new ATOM 0 HB3 LYS A 80 0.703 10.615 -5.254 1.00 1.00 H new ATOM 0 HG2 LYS A 80 0.422 12.611 -2.953 1.00 1.00 H new ATOM 0 HG3 LYS A 80 0.959 10.949 -2.801 1.00 1.00 H new ATOM 0 HD2 LYS A 80 3.086 11.501 -3.419 1.00 1.00 H new ATOM 0 HD3 LYS A 80 2.519 12.301 -4.871 1.00 1.00 H new ATOM 0 HE2 LYS A 80 1.762 13.973 -2.653 1.00 1.00 H new ATOM 0 HE3 LYS A 80 3.430 13.506 -2.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 3.508 15.408 -3.750 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 3.807 14.117 -4.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 2.275 14.850 -4.776 1.00 1.00 H new ATOM 1222 N SER A 81 0.744 11.194 -7.544 1.00 1.00 N ATOM 1223 CA SER A 81 0.621 10.700 -8.944 1.00 1.00 C ATOM 1224 C SER A 81 -0.491 9.650 -9.027 1.00 1.00 C ATOM 1225 O SER A 81 -0.729 9.069 -10.068 1.00 1.00 O ATOM 1226 CB SER A 81 1.945 10.074 -9.381 1.00 1.00 C ATOM 1227 OG SER A 81 2.883 10.170 -8.317 1.00 1.00 O ATOM 0 H SER A 81 1.425 10.701 -6.967 1.00 1.00 H new ATOM 0 HA SER A 81 0.377 11.535 -9.600 1.00 1.00 H new ATOM 0 HB2 SER A 81 1.794 9.030 -9.655 1.00 1.00 H new ATOM 0 HB3 SER A 81 2.327 10.584 -10.265 1.00 1.00 H new ATOM 0 HG SER A 81 3.733 9.768 -8.593 1.00 1.00 H new ATOM 1233 N GLY A 82 -1.173 9.399 -7.943 1.00 1.00 N ATOM 1234 CA GLY A 82 -2.260 8.386 -7.973 1.00 1.00 C ATOM 1235 C GLY A 82 -1.735 7.091 -8.576 1.00 1.00 C ATOM 1236 O GLY A 82 -0.565 6.957 -8.876 1.00 1.00 O ATOM 0 H GLY A 82 -1.023 9.851 -7.041 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -2.630 8.205 -6.964 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -3.101 8.757 -8.559 1.00 1.00 H new ATOM 1240 N PHE A 83 -2.593 6.136 -8.750 1.00 1.00 N ATOM 1241 CA PHE A 83 -2.188 4.854 -9.315 1.00 1.00 C ATOM 1242 C PHE A 83 -2.057 4.986 -10.831 1.00 1.00 C ATOM 1243 O PHE A 83 -2.220 6.052 -11.392 1.00 1.00 O ATOM 1244 CB PHE A 83 -3.280 3.852 -8.982 1.00 1.00 C ATOM 1245 CG PHE A 83 -3.636 3.949 -7.516 1.00 1.00 C ATOM 1246 CD1 PHE A 83 -2.930 3.194 -6.572 1.00 1.00 C ATOM 1247 CD2 PHE A 83 -4.675 4.791 -7.102 1.00 1.00 C ATOM 1248 CE1 PHE A 83 -3.261 3.283 -5.214 1.00 1.00 C ATOM 1249 CE2 PHE A 83 -5.008 4.879 -5.745 1.00 1.00 C ATOM 1250 CZ PHE A 83 -4.300 4.125 -4.800 1.00 1.00 C ATOM 0 H PHE A 83 -3.583 6.204 -8.514 1.00 1.00 H new ATOM 0 HA PHE A 83 -1.229 4.532 -8.909 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -4.162 4.045 -9.593 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -2.944 2.842 -9.218 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -2.130 2.543 -6.891 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -5.220 5.373 -7.830 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -2.715 2.702 -4.486 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -5.810 5.528 -5.427 1.00 1.00 H new ATOM 0 HZ PHE A 83 -4.556 4.193 -3.753 1.00 1.00 H new ATOM 1260 N LYS A 84 -1.767 3.909 -11.494 1.00 1.00 N ATOM 1261 CA LYS A 84 -1.622 3.955 -12.976 1.00 1.00 C ATOM 1262 C LYS A 84 -2.967 4.317 -13.608 1.00 1.00 C ATOM 1263 O LYS A 84 -3.727 5.096 -13.068 1.00 1.00 O ATOM 1264 CB LYS A 84 -1.172 2.585 -13.488 1.00 1.00 C ATOM 1265 CG LYS A 84 -0.233 2.768 -14.684 1.00 1.00 C ATOM 1266 CD LYS A 84 -0.033 1.425 -15.388 1.00 1.00 C ATOM 1267 CE LYS A 84 -0.067 1.631 -16.903 1.00 1.00 C ATOM 1268 NZ LYS A 84 0.785 0.604 -17.565 1.00 1.00 N ATOM 0 H LYS A 84 -1.622 2.991 -11.074 1.00 1.00 H new ATOM 0 HA LYS A 84 -0.879 4.706 -13.245 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -0.664 2.037 -12.694 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -2.039 1.992 -13.780 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -0.651 3.496 -15.379 1.00 1.00 H new ATOM 0 HG3 LYS A 84 0.727 3.161 -14.349 1.00 1.00 H new ATOM 0 HD2 LYS A 84 0.920 0.986 -15.092 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -0.814 0.726 -15.088 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -1.092 1.558 -17.267 1.00 1.00 H new ATOM 0 HE3 LYS A 84 0.290 2.630 -17.153 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 0.761 0.745 -18.595 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 1.764 0.694 -17.226 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 0.425 -0.345 -17.337 1.00 1.00 H new