USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 713 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 4 GLN :FLIP amide:sc= -10.6! C(o=-18!,f=-13!) USER MOD Set 1.2: A 92 THR OG1 : rot 137:sc= -2.5! USER MOD Single : A 1 VAL N :NH3+ -154:sc= -0.322 (180deg=-1.7!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 9 SER OG : rot 17:sc= 0.494! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0805 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= -0.379 (180deg=-2.17!) USER MOD Single : A 22 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.4!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -120:sc= -0.459 (180deg=-1.58!) USER MOD Single : A 34 ASN : amide:sc= -2.31! C(o=-2.3!,f=-8.5!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0663! USER MOD Single : A 50 ASN :FLIP amide:sc= -4.97! C(o=-6.4!,f=-5!) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.139 F(o=-1.1,f=-0.14) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -156:sc= -0.0483 (180deg=-0.75) USER MOD Single : A 65 ASN : amide:sc= -0.0175 K(o=-0.018,f=-1.7!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.940 -11.783 -0.747 1.00 0.00 N ATOM 2 CA VAL A 1 -1.080 -11.746 0.471 1.00 0.00 C ATOM 3 C VAL A 1 -1.890 -11.259 1.676 1.00 0.00 C ATOM 4 O VAL A 1 -2.400 -10.157 1.688 1.00 0.00 O ATOM 5 CB VAL A 1 0.037 -10.755 0.138 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.089 -10.784 1.247 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.684 -11.144 -1.193 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.567 -12.488 -1.414 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.911 -12.041 -0.479 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.943 -10.846 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.688 -12.729 0.730 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.378 -9.750 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.886 -10.078 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.627 -10.506 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.506 -11.788 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.480 -10.438 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.101 -12.148 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.067 -11.123 -1.983 1.00 0.00 H new ATOM 19 N THR A 2 -2.013 -12.073 2.689 1.00 0.00 N ATOM 20 CA THR A 2 -2.793 -11.653 3.889 1.00 0.00 C ATOM 21 C THR A 2 -1.946 -11.808 5.154 1.00 0.00 C ATOM 22 O THR A 2 -1.053 -12.630 5.220 1.00 0.00 O ATOM 23 CB THR A 2 -3.998 -12.594 3.931 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.728 -12.481 2.717 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.902 -12.221 5.108 1.00 0.00 C ATOM 0 H THR A 2 -1.609 -13.008 2.738 1.00 0.00 H new ATOM 0 HA THR A 2 -3.095 -10.607 3.837 1.00 0.00 H new ATOM 0 HB THR A 2 -3.652 -13.620 4.054 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.500 -13.085 2.742 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.760 -12.893 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.342 -12.309 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.249 -11.195 4.989 1.00 0.00 H new ATOM 33 N VAL A 3 -2.225 -11.027 6.162 1.00 0.00 N ATOM 34 CA VAL A 3 -1.440 -11.134 7.425 1.00 0.00 C ATOM 35 C VAL A 3 -2.117 -12.130 8.373 1.00 0.00 C ATOM 36 O VAL A 3 -3.243 -11.941 8.789 1.00 0.00 O ATOM 37 CB VAL A 3 -1.426 -9.714 8.010 1.00 0.00 C ATOM 38 CG1 VAL A 3 -2.339 -9.633 9.236 1.00 0.00 C ATOM 39 CG2 VAL A 3 0.002 -9.353 8.419 1.00 0.00 C ATOM 0 H VAL A 3 -2.961 -10.321 6.166 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.426 -11.500 7.264 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.787 -9.016 7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.318 -8.620 9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.359 -9.888 8.948 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.991 -10.333 9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.018 -8.346 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.356 -10.061 9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.652 -9.395 7.545 1.00 0.00 H new ATOM 49 N GLN A 4 -1.443 -13.198 8.705 1.00 0.00 N ATOM 50 CA GLN A 4 -2.053 -14.212 9.614 1.00 0.00 C ATOM 51 C GLN A 4 -1.355 -14.204 10.977 1.00 0.00 C ATOM 52 O GLN A 4 -0.148 -14.091 11.066 1.00 0.00 O ATOM 53 CB GLN A 4 -1.832 -15.552 8.913 1.00 0.00 C ATOM 54 CG GLN A 4 -2.149 -15.413 7.422 1.00 0.00 C ATOM 55 CD GLN A 4 -2.310 -16.804 6.805 1.00 0.00 C ATOM 56 OE1 GLN A 4 -3.131 -16.969 5.805 1.00 0.00 O flip ATOM 57 NE2 GLN A 4 -1.682 -17.749 7.237 1.00 0.00 N flip ATOM 0 H GLN A 4 -0.498 -13.412 8.387 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.108 -14.011 9.800 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.800 -15.877 9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.468 -16.316 9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.063 -14.835 7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.350 -14.870 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.040 -17.620 8.019 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.796 -18.672 6.818 1.00 0.00 H new ATOM 66 N ASP A 5 -2.105 -14.333 12.037 1.00 0.00 N ATOM 67 CA ASP A 5 -1.486 -14.344 13.393 1.00 0.00 C ATOM 68 C ASP A 5 -1.555 -15.758 13.981 1.00 0.00 C ATOM 69 O ASP A 5 -1.269 -15.975 15.141 1.00 0.00 O ATOM 70 CB ASP A 5 -2.329 -13.375 14.221 1.00 0.00 C ATOM 71 CG ASP A 5 -2.144 -11.954 13.685 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.243 -11.757 12.885 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.905 -11.088 14.081 1.00 0.00 O ATOM 0 H ASP A 5 -3.120 -14.431 12.023 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.436 -14.052 13.377 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.380 -13.659 14.174 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.032 -13.422 15.269 1.00 0.00 H new ATOM 78 N GLY A 6 -1.933 -16.718 13.181 1.00 0.00 N ATOM 79 CA GLY A 6 -2.021 -18.120 13.679 1.00 0.00 C ATOM 80 C GLY A 6 -2.539 -19.019 12.555 1.00 0.00 C ATOM 81 O GLY A 6 -2.123 -18.906 11.418 1.00 0.00 O ATOM 0 H GLY A 6 -2.185 -16.591 12.201 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.042 -18.462 14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.688 -18.172 14.540 1.00 0.00 H new ATOM 85 N ASN A 7 -3.449 -19.903 12.856 1.00 0.00 N ATOM 86 CA ASN A 7 -3.994 -20.796 11.794 1.00 0.00 C ATOM 87 C ASN A 7 -5.046 -20.041 10.980 1.00 0.00 C ATOM 88 O ASN A 7 -5.693 -20.593 10.111 1.00 0.00 O ATOM 89 CB ASN A 7 -4.630 -21.965 12.546 1.00 0.00 C ATOM 90 CG ASN A 7 -3.552 -22.721 13.320 1.00 0.00 C ATOM 91 OD1 ASN A 7 -3.751 -23.095 14.459 1.00 0.00 O ATOM 92 ND2 ASN A 7 -2.411 -22.961 12.744 1.00 0.00 N ATOM 0 H ASN A 7 -3.838 -20.046 13.788 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.228 -21.136 11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.394 -21.598 13.231 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.126 -22.635 11.844 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.681 -23.464 13.248 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.246 -22.646 11.788 1.00 0.00 H new ATOM 99 N PHE A 8 -5.218 -18.778 11.259 1.00 0.00 N ATOM 100 CA PHE A 8 -6.223 -17.968 10.514 1.00 0.00 C ATOM 101 C PHE A 8 -5.523 -16.812 9.788 1.00 0.00 C ATOM 102 O PHE A 8 -4.407 -16.456 10.110 1.00 0.00 O ATOM 103 CB PHE A 8 -7.166 -17.446 11.598 1.00 0.00 C ATOM 104 CG PHE A 8 -8.168 -16.501 10.988 1.00 0.00 C ATOM 105 CD1 PHE A 8 -7.830 -15.158 10.797 1.00 0.00 C ATOM 106 CD2 PHE A 8 -9.436 -16.965 10.619 1.00 0.00 C ATOM 107 CE1 PHE A 8 -8.762 -14.276 10.235 1.00 0.00 C ATOM 108 CE2 PHE A 8 -10.368 -16.084 10.058 1.00 0.00 C ATOM 109 CZ PHE A 8 -10.031 -14.739 9.866 1.00 0.00 C ATOM 0 H PHE A 8 -4.702 -18.269 11.976 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.755 -18.539 9.753 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.682 -18.279 12.077 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.596 -16.935 12.374 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.852 -14.801 11.082 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.695 -18.003 10.767 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.502 -13.238 10.086 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.346 -16.442 9.773 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.750 -14.059 9.433 1.00 0.00 H new ATOM 119 N SER A 9 -6.158 -16.228 8.805 1.00 0.00 N ATOM 120 CA SER A 9 -5.508 -15.106 8.062 1.00 0.00 C ATOM 121 C SER A 9 -6.279 -13.796 8.264 1.00 0.00 C ATOM 122 O SER A 9 -7.487 -13.752 8.152 1.00 0.00 O ATOM 123 CB SER A 9 -5.551 -15.530 6.595 1.00 0.00 C ATOM 124 OG SER A 9 -6.894 -15.501 6.133 1.00 0.00 O ATOM 0 H SER A 9 -7.094 -16.477 8.485 1.00 0.00 H new ATOM 0 HA SER A 9 -4.492 -14.923 8.411 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.934 -14.862 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.138 -16.533 6.483 1.00 0.00 H new ATOM 0 HG SER A 9 -7.440 -14.969 6.748 1.00 0.00 H new ATOM 130 N PHE A 10 -5.584 -12.730 8.560 1.00 0.00 N ATOM 131 CA PHE A 10 -6.269 -11.422 8.772 1.00 0.00 C ATOM 132 C PHE A 10 -5.908 -10.432 7.658 1.00 0.00 C ATOM 133 O PHE A 10 -4.753 -10.119 7.446 1.00 0.00 O ATOM 134 CB PHE A 10 -5.738 -10.912 10.114 1.00 0.00 C ATOM 135 CG PHE A 10 -6.234 -11.798 11.232 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.585 -11.779 11.589 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.341 -12.631 11.916 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.047 -12.593 12.630 1.00 0.00 C ATOM 139 CE2 PHE A 10 -5.802 -13.447 12.957 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.156 -13.428 13.313 1.00 0.00 C ATOM 0 H PHE A 10 -4.570 -12.709 8.664 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.354 -11.528 8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.648 -10.901 10.103 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.066 -9.886 10.279 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.273 -11.136 11.061 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.297 -12.645 11.641 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.091 -12.576 12.906 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.114 -14.090 13.485 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.513 -14.058 14.115 1.00 0.00 H new ATOM 150 N SER A 11 -6.884 -9.929 6.949 1.00 0.00 N ATOM 151 CA SER A 11 -6.585 -8.954 5.860 1.00 0.00 C ATOM 152 C SER A 11 -6.110 -7.627 6.463 1.00 0.00 C ATOM 153 O SER A 11 -6.215 -7.403 7.652 1.00 0.00 O ATOM 154 CB SER A 11 -7.912 -8.765 5.124 1.00 0.00 C ATOM 155 OG SER A 11 -8.788 -7.986 5.925 1.00 0.00 O ATOM 0 H SER A 11 -7.872 -10.150 7.076 1.00 0.00 H new ATOM 0 HA SER A 11 -5.797 -9.303 5.193 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.743 -8.273 4.166 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.363 -9.734 4.909 1.00 0.00 H new ATOM 0 HG SER A 11 -9.639 -7.862 5.454 1.00 0.00 H new ATOM 161 N LEU A 12 -5.581 -6.745 5.655 1.00 0.00 N ATOM 162 CA LEU A 12 -5.094 -5.441 6.195 1.00 0.00 C ATOM 163 C LEU A 12 -6.085 -4.314 5.879 1.00 0.00 C ATOM 164 O LEU A 12 -5.856 -3.166 6.209 1.00 0.00 O ATOM 165 CB LEU A 12 -3.761 -5.193 5.485 1.00 0.00 C ATOM 166 CG LEU A 12 -2.825 -6.378 5.732 1.00 0.00 C ATOM 167 CD1 LEU A 12 -1.611 -6.277 4.803 1.00 0.00 C ATOM 168 CD2 LEU A 12 -2.354 -6.362 7.187 1.00 0.00 C ATOM 0 H LEU A 12 -5.466 -6.870 4.649 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.987 -5.466 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.925 -5.062 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.306 -4.273 5.853 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.359 -7.307 5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.946 -7.122 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.945 -6.290 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.078 -5.347 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.687 -7.206 7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.822 -5.432 7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.216 -6.437 7.849 1.00 0.00 H new ATOM 180 N GLU A 13 -7.181 -4.628 5.243 1.00 0.00 N ATOM 181 CA GLU A 13 -8.175 -3.567 4.907 1.00 0.00 C ATOM 182 C GLU A 13 -8.937 -3.129 6.161 1.00 0.00 C ATOM 183 O GLU A 13 -8.696 -2.072 6.709 1.00 0.00 O ATOM 184 CB GLU A 13 -9.132 -4.215 3.906 1.00 0.00 C ATOM 185 CG GLU A 13 -8.364 -4.606 2.642 1.00 0.00 C ATOM 186 CD GLU A 13 -9.329 -5.223 1.629 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.459 -5.493 2.004 1.00 0.00 O ATOM 188 OE2 GLU A 13 -8.924 -5.414 0.494 1.00 0.00 O ATOM 0 H GLU A 13 -7.431 -5.570 4.942 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.696 -2.677 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.596 -5.096 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.936 -3.523 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.880 -3.729 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.575 -5.317 2.888 1.00 0.00 H new ATOM 195 N SER A 14 -9.859 -3.932 6.614 1.00 0.00 N ATOM 196 CA SER A 14 -10.645 -3.562 7.828 1.00 0.00 C ATOM 197 C SER A 14 -9.733 -2.964 8.900 1.00 0.00 C ATOM 198 O SER A 14 -10.006 -1.911 9.443 1.00 0.00 O ATOM 199 CB SER A 14 -11.248 -4.873 8.328 1.00 0.00 C ATOM 200 OG SER A 14 -11.815 -5.584 7.236 1.00 0.00 O ATOM 0 H SER A 14 -10.104 -4.830 6.197 1.00 0.00 H new ATOM 0 HA SER A 14 -11.406 -2.815 7.603 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.480 -5.478 8.809 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.012 -4.671 9.079 1.00 0.00 H new ATOM 0 HG SER A 14 -12.200 -6.426 7.558 1.00 0.00 H new ATOM 206 N VAL A 15 -8.653 -3.624 9.212 1.00 0.00 N ATOM 207 CA VAL A 15 -7.744 -3.076 10.252 1.00 0.00 C ATOM 208 C VAL A 15 -7.285 -1.673 9.852 1.00 0.00 C ATOM 209 O VAL A 15 -7.287 -0.763 10.655 1.00 0.00 O ATOM 210 CB VAL A 15 -6.575 -4.055 10.338 1.00 0.00 C ATOM 211 CG1 VAL A 15 -7.047 -5.309 11.077 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.092 -4.435 8.936 1.00 0.00 C ATOM 0 H VAL A 15 -8.364 -4.509 8.796 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.231 -2.977 11.222 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.747 -3.589 10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.224 -6.021 11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.380 -5.037 12.079 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.874 -5.764 10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.259 -5.133 9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.907 -4.904 8.385 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.766 -3.539 8.408 1.00 0.00 H new ATOM 222 N LYS A 16 -6.915 -1.474 8.615 1.00 0.00 N ATOM 223 CA LYS A 16 -6.494 -0.109 8.197 1.00 0.00 C ATOM 224 C LYS A 16 -7.630 0.868 8.500 1.00 0.00 C ATOM 225 O LYS A 16 -7.460 1.835 9.216 1.00 0.00 O ATOM 226 CB LYS A 16 -6.250 -0.197 6.689 1.00 0.00 C ATOM 227 CG LYS A 16 -5.874 1.189 6.157 1.00 0.00 C ATOM 228 CD LYS A 16 -5.870 1.169 4.627 1.00 0.00 C ATOM 229 CE LYS A 16 -5.565 2.572 4.100 1.00 0.00 C ATOM 230 NZ LYS A 16 -6.249 2.640 2.778 1.00 0.00 N ATOM 0 H LYS A 16 -6.886 -2.187 7.886 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.601 0.237 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.452 -0.909 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.144 -0.563 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.583 1.933 6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.891 1.478 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.124 0.462 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.837 0.831 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.939 3.339 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.492 2.732 3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.087 3.574 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.868 1.902 2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.270 2.491 2.907 1.00 0.00 H new ATOM 244 N LYS A 17 -8.797 0.603 7.975 1.00 0.00 N ATOM 245 CA LYS A 17 -9.961 1.491 8.243 1.00 0.00 C ATOM 246 C LYS A 17 -10.565 1.158 9.611 1.00 0.00 C ATOM 247 O LYS A 17 -11.658 1.579 9.937 1.00 0.00 O ATOM 248 CB LYS A 17 -10.963 1.179 7.130 1.00 0.00 C ATOM 249 CG LYS A 17 -10.374 1.588 5.779 1.00 0.00 C ATOM 250 CD LYS A 17 -11.411 1.348 4.681 1.00 0.00 C ATOM 251 CE LYS A 17 -10.804 1.702 3.323 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.574 2.892 2.861 1.00 0.00 N ATOM 0 H LYS A 17 -8.993 -0.194 7.370 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.684 2.545 8.258 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.199 0.115 7.128 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.897 1.713 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.085 2.639 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.471 1.013 5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.730 0.306 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.298 1.954 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.741 1.928 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.896 0.874 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.217 3.197 1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.581 2.644 2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.462 3.666 3.547 1.00 0.00 H new ATOM 266 N LEU A 18 -9.860 0.408 10.416 1.00 0.00 N ATOM 267 CA LEU A 18 -10.386 0.051 11.763 1.00 0.00 C ATOM 268 C LEU A 18 -10.552 1.315 12.608 1.00 0.00 C ATOM 269 O LEU A 18 -11.531 1.481 13.310 1.00 0.00 O ATOM 270 CB LEU A 18 -9.313 -0.868 12.350 1.00 0.00 C ATOM 271 CG LEU A 18 -9.880 -1.669 13.525 1.00 0.00 C ATOM 272 CD1 LEU A 18 -8.900 -2.788 13.890 1.00 0.00 C ATOM 273 CD2 LEU A 18 -10.071 -0.750 14.733 1.00 0.00 C ATOM 0 H LEU A 18 -8.940 0.027 10.196 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.364 -0.430 11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.947 -1.548 11.581 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.461 -0.276 12.683 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.842 -2.096 13.242 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.298 -3.362 14.726 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.762 -3.445 13.032 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.941 -2.354 14.172 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.475 -1.324 15.567 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.111 -0.321 15.019 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.764 0.051 14.475 1.00 0.00 H new ATOM 285 N LYS A 19 -9.608 2.217 12.538 1.00 0.00 N ATOM 286 CA LYS A 19 -9.724 3.474 13.329 1.00 0.00 C ATOM 287 C LYS A 19 -11.031 4.184 12.971 1.00 0.00 C ATOM 288 O LYS A 19 -11.746 4.666 13.827 1.00 0.00 O ATOM 289 CB LYS A 19 -8.518 4.318 12.912 1.00 0.00 C ATOM 290 CG LYS A 19 -8.450 5.579 13.778 1.00 0.00 C ATOM 291 CD LYS A 19 -7.285 6.455 13.311 1.00 0.00 C ATOM 292 CE LYS A 19 -7.064 7.588 14.315 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.850 6.906 15.621 1.00 0.00 N ATOM 0 H LYS A 19 -8.765 2.137 11.969 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.736 3.296 14.404 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.601 3.739 13.022 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.599 4.591 11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.386 6.132 13.708 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.318 5.307 14.825 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.380 5.855 13.218 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.498 6.866 12.324 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.202 8.196 14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.925 8.255 14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.265 7.508 16.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.769 6.734 16.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.366 5.999 15.464 1.00 0.00 H new ATOM 307 N ASP A 20 -11.355 4.236 11.707 1.00 0.00 N ATOM 308 CA ASP A 20 -12.623 4.896 11.287 1.00 0.00 C ATOM 309 C ASP A 20 -13.738 3.852 11.197 1.00 0.00 C ATOM 310 O ASP A 20 -13.676 2.934 10.405 1.00 0.00 O ATOM 311 CB ASP A 20 -12.329 5.490 9.908 1.00 0.00 C ATOM 312 CG ASP A 20 -13.554 6.258 9.411 1.00 0.00 C ATOM 313 OD1 ASP A 20 -14.470 6.443 10.195 1.00 0.00 O ATOM 314 OD2 ASP A 20 -13.557 6.645 8.254 1.00 0.00 O ATOM 0 H ASP A 20 -10.795 3.849 10.947 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.950 5.661 11.991 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.467 6.155 9.963 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.074 4.697 9.205 1.00 0.00 H new ATOM 319 N LEU A 21 -14.749 3.972 12.012 1.00 0.00 N ATOM 320 CA LEU A 21 -15.853 2.972 11.976 1.00 0.00 C ATOM 321 C LEU A 21 -16.777 3.226 10.780 1.00 0.00 C ATOM 322 O LEU A 21 -17.361 4.283 10.645 1.00 0.00 O ATOM 323 CB LEU A 21 -16.609 3.171 13.289 1.00 0.00 C ATOM 324 CG LEU A 21 -17.407 1.905 13.606 1.00 0.00 C ATOM 325 CD1 LEU A 21 -18.405 1.640 12.478 1.00 0.00 C ATOM 326 CD2 LEU A 21 -16.449 0.718 13.731 1.00 0.00 C ATOM 0 H LEU A 21 -14.859 4.717 12.700 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.478 1.954 11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.909 3.386 14.097 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.279 4.028 13.211 1.00 0.00 H new ATOM 0 HG LEU A 21 -17.945 2.037 14.545 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.975 0.738 12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -19.086 2.487 12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.867 1.506 11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.016 -0.185 13.957 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.912 0.584 12.792 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.736 0.909 14.533 1.00 0.00 H new ATOM 338 N GLN A 22 -16.916 2.257 9.917 1.00 0.00 N ATOM 339 CA GLN A 22 -17.806 2.427 8.731 1.00 0.00 C ATOM 340 C GLN A 22 -18.301 1.060 8.252 1.00 0.00 C ATOM 341 O GLN A 22 -17.852 0.031 8.718 1.00 0.00 O ATOM 342 CB GLN A 22 -16.930 3.087 7.665 1.00 0.00 C ATOM 343 CG GLN A 22 -15.647 2.275 7.481 1.00 0.00 C ATOM 344 CD GLN A 22 -14.737 2.982 6.476 1.00 0.00 C ATOM 345 OE1 GLN A 22 -15.145 3.272 5.368 1.00 0.00 O ATOM 346 NE2 GLN A 22 -13.511 3.273 6.816 1.00 0.00 N ATOM 0 H GLN A 22 -16.450 1.352 9.982 1.00 0.00 H new ATOM 0 HA GLN A 22 -18.688 3.027 8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.472 3.148 6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.687 4.108 7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.134 2.163 8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.886 1.272 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.168 3.030 7.745 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.896 3.743 6.152 1.00 0.00 H new ATOM 355 N GLU A 23 -19.227 1.034 7.330 1.00 0.00 N ATOM 356 CA GLU A 23 -19.744 -0.274 6.836 1.00 0.00 C ATOM 357 C GLU A 23 -19.746 -0.317 5.302 1.00 0.00 C ATOM 358 O GLU A 23 -20.762 -0.585 4.694 1.00 0.00 O ATOM 359 CB GLU A 23 -21.174 -0.361 7.373 1.00 0.00 C ATOM 360 CG GLU A 23 -21.400 -1.736 8.005 1.00 0.00 C ATOM 361 CD GLU A 23 -21.843 -2.727 6.926 1.00 0.00 C ATOM 362 OE1 GLU A 23 -22.936 -2.561 6.410 1.00 0.00 O ATOM 363 OE2 GLU A 23 -21.082 -3.636 6.636 1.00 0.00 O ATOM 0 H GLU A 23 -19.646 1.859 6.900 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.125 -1.107 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -21.345 0.423 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -21.888 -0.199 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.483 -2.085 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -22.158 -1.669 8.786 1.00 0.00 H new ATOM 370 N PRO A 24 -18.601 -0.060 4.725 1.00 0.00 N ATOM 371 CA PRO A 24 -18.468 -0.079 3.249 1.00 0.00 C ATOM 372 C PRO A 24 -18.812 -1.468 2.700 1.00 0.00 C ATOM 373 O PRO A 24 -18.534 -2.475 3.319 1.00 0.00 O ATOM 374 CB PRO A 24 -16.987 0.243 3.041 1.00 0.00 C ATOM 375 CG PRO A 24 -16.322 0.432 4.419 1.00 0.00 C ATOM 376 CD PRO A 24 -17.387 0.263 5.510 1.00 0.00 C ATOM 0 HA PRO A 24 -19.134 0.616 2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.499 -0.563 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.878 1.147 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.523 -0.297 4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.867 1.420 4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.131 -0.534 6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -17.514 1.172 6.098 1.00 0.00 H new ATOM 384 N GLN A 25 -19.414 -1.530 1.543 1.00 0.00 N ATOM 385 CA GLN A 25 -19.770 -2.856 0.960 1.00 0.00 C ATOM 386 C GLN A 25 -18.504 -3.677 0.704 1.00 0.00 C ATOM 387 O GLN A 25 -18.521 -4.891 0.733 1.00 0.00 O ATOM 388 CB GLN A 25 -20.475 -2.534 -0.357 1.00 0.00 C ATOM 389 CG GLN A 25 -21.772 -1.776 -0.071 1.00 0.00 C ATOM 390 CD GLN A 25 -22.524 -1.539 -1.382 1.00 0.00 C ATOM 391 OE1 GLN A 25 -23.145 -2.440 -1.912 1.00 0.00 O ATOM 392 NE2 GLN A 25 -22.495 -0.356 -1.933 1.00 0.00 N ATOM 0 H GLN A 25 -19.674 -0.722 0.977 1.00 0.00 H new ATOM 0 HA GLN A 25 -20.401 -3.444 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -19.824 -1.934 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -20.691 -3.454 -0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -22.394 -2.346 0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -21.551 -0.824 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.974 0.401 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -22.993 -0.188 -2.807 1.00 0.00 H new ATOM 401 N GLU A 26 -17.405 -3.019 0.454 1.00 0.00 N ATOM 402 CA GLU A 26 -16.135 -3.754 0.195 1.00 0.00 C ATOM 403 C GLU A 26 -16.382 -4.951 -0.731 1.00 0.00 C ATOM 404 O GLU A 26 -16.008 -6.063 -0.413 1.00 0.00 O ATOM 405 CB GLU A 26 -15.669 -4.231 1.571 1.00 0.00 C ATOM 406 CG GLU A 26 -14.182 -3.915 1.745 1.00 0.00 C ATOM 407 CD GLU A 26 -13.411 -4.393 0.514 1.00 0.00 C ATOM 408 OE1 GLU A 26 -13.141 -5.580 0.433 1.00 0.00 O ATOM 409 OE2 GLU A 26 -13.104 -3.565 -0.326 1.00 0.00 O ATOM 0 H GLU A 26 -17.332 -2.002 0.418 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.392 -3.126 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.249 -3.741 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.838 -5.303 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.041 -2.843 1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.798 -4.404 2.640 1.00 0.00 H new ATOM 416 N PRO A 27 -17.005 -4.687 -1.852 1.00 0.00 N ATOM 417 CA PRO A 27 -17.298 -5.759 -2.833 1.00 0.00 C ATOM 418 C PRO A 27 -15.998 -6.385 -3.343 1.00 0.00 C ATOM 419 O PRO A 27 -15.951 -7.547 -3.694 1.00 0.00 O ATOM 420 CB PRO A 27 -18.016 -5.003 -3.953 1.00 0.00 C ATOM 421 CG PRO A 27 -18.103 -3.512 -3.569 1.00 0.00 C ATOM 422 CD PRO A 27 -17.445 -3.315 -2.197 1.00 0.00 C ATOM 0 HA PRO A 27 -17.885 -6.580 -2.423 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -17.477 -5.120 -4.893 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -19.015 -5.413 -4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -17.603 -2.899 -4.319 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -19.144 -3.191 -3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.607 -2.620 -2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -18.147 -2.918 -1.464 1.00 0.00 H new ATOM 430 N ARG A 28 -14.944 -5.619 -3.389 1.00 0.00 N ATOM 431 CA ARG A 28 -13.644 -6.161 -3.879 1.00 0.00 C ATOM 432 C ARG A 28 -12.507 -5.729 -2.950 1.00 0.00 C ATOM 433 O ARG A 28 -12.538 -4.662 -2.371 1.00 0.00 O ATOM 434 CB ARG A 28 -13.464 -5.550 -5.269 1.00 0.00 C ATOM 435 CG ARG A 28 -12.197 -6.113 -5.918 1.00 0.00 C ATOM 436 CD ARG A 28 -11.962 -5.420 -7.262 1.00 0.00 C ATOM 437 NE ARG A 28 -10.815 -6.150 -7.874 1.00 0.00 N ATOM 438 CZ ARG A 28 -10.637 -6.116 -9.166 1.00 0.00 C ATOM 439 NH1 ARG A 28 -10.451 -4.975 -9.769 1.00 0.00 N ATOM 440 NH2 ARG A 28 -10.645 -7.225 -9.855 1.00 0.00 N ATOM 0 H ARG A 28 -14.926 -4.639 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.632 -7.251 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.332 -5.772 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.395 -4.465 -5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.340 -5.959 -5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.297 -7.189 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.848 -5.474 -7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.731 -4.363 -7.127 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.170 -6.675 -7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.445 -4.109 -9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.312 -4.949 -10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.790 -8.118 -9.383 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.506 -7.199 -10.865 1.00 0.00 H new ATOM 454 N VAL A 29 -11.504 -6.551 -2.802 1.00 0.00 N ATOM 455 CA VAL A 29 -10.367 -6.183 -1.908 1.00 0.00 C ATOM 456 C VAL A 29 -9.745 -4.860 -2.361 1.00 0.00 C ATOM 457 O VAL A 29 -9.470 -4.657 -3.527 1.00 0.00 O ATOM 458 CB VAL A 29 -9.362 -7.326 -2.058 1.00 0.00 C ATOM 459 CG1 VAL A 29 -10.071 -8.663 -1.835 1.00 0.00 C ATOM 460 CG2 VAL A 29 -8.761 -7.295 -3.464 1.00 0.00 C ATOM 0 H VAL A 29 -11.422 -7.459 -3.259 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.681 -6.048 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.568 -7.210 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.354 -9.477 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.499 -8.685 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.866 -8.780 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.045 -8.109 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.555 -7.410 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.254 -6.343 -3.622 1.00 0.00 H new ATOM 470 N GLY A 30 -9.522 -3.956 -1.446 1.00 0.00 N ATOM 471 CA GLY A 30 -8.919 -2.647 -1.825 1.00 0.00 C ATOM 472 C GLY A 30 -7.525 -2.880 -2.411 1.00 0.00 C ATOM 473 O GLY A 30 -6.635 -3.371 -1.745 1.00 0.00 O ATOM 0 H GLY A 30 -9.731 -4.067 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.552 -2.140 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.855 -1.997 -0.952 1.00 0.00 H new ATOM 477 N LYS A 31 -7.327 -2.529 -3.652 1.00 0.00 N ATOM 478 CA LYS A 31 -5.990 -2.731 -4.279 1.00 0.00 C ATOM 479 C LYS A 31 -4.924 -1.938 -3.515 1.00 0.00 C ATOM 480 O LYS A 31 -3.784 -2.346 -3.418 1.00 0.00 O ATOM 481 CB LYS A 31 -6.136 -2.199 -5.705 1.00 0.00 C ATOM 482 CG LYS A 31 -7.138 -3.067 -6.472 1.00 0.00 C ATOM 483 CD LYS A 31 -7.200 -2.606 -7.931 1.00 0.00 C ATOM 484 CE LYS A 31 -8.303 -3.374 -8.662 1.00 0.00 C ATOM 485 NZ LYS A 31 -7.623 -4.572 -9.230 1.00 0.00 N ATOM 0 H LYS A 31 -8.033 -2.111 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.680 -3.776 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.475 -1.163 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.170 -2.208 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.841 -4.114 -6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.124 -2.994 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.396 -1.535 -7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.240 -2.775 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.104 -3.660 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.754 -2.767 -9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.720 -4.568 -10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.614 -4.551 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.059 -5.434 -8.845 1.00 0.00 H new ATOM 499 N LEU A 32 -5.289 -0.809 -2.972 1.00 0.00 N ATOM 500 CA LEU A 32 -4.298 0.008 -2.214 1.00 0.00 C ATOM 501 C LEU A 32 -4.472 -0.212 -0.709 1.00 0.00 C ATOM 502 O LEU A 32 -5.567 -0.174 -0.188 1.00 0.00 O ATOM 503 CB LEU A 32 -4.618 1.457 -2.583 1.00 0.00 C ATOM 504 CG LEU A 32 -3.598 2.388 -1.922 1.00 0.00 C ATOM 505 CD1 LEU A 32 -2.244 2.236 -2.619 1.00 0.00 C ATOM 506 CD2 LEU A 32 -4.076 3.836 -2.044 1.00 0.00 C ATOM 0 H LEU A 32 -6.229 -0.417 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.270 -0.259 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.593 1.582 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.626 1.713 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.496 2.127 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.517 2.898 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.904 1.204 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.346 2.497 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.350 4.500 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.178 4.098 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.041 3.944 -1.548 1.00 0.00 H new ATOM 518 N ARG A 33 -3.397 -0.444 -0.006 1.00 0.00 N ATOM 519 CA ARG A 33 -3.501 -0.666 1.464 1.00 0.00 C ATOM 520 C ARG A 33 -2.375 0.075 2.192 1.00 0.00 C ATOM 521 O ARG A 33 -1.209 -0.197 1.990 1.00 0.00 O ATOM 522 CB ARG A 33 -3.356 -2.178 1.646 1.00 0.00 C ATOM 523 CG ARG A 33 -1.997 -2.628 1.101 1.00 0.00 C ATOM 524 CD ARG A 33 -2.006 -4.146 0.895 1.00 0.00 C ATOM 525 NE ARG A 33 -0.687 -4.453 0.273 1.00 0.00 N ATOM 526 CZ ARG A 33 0.241 -5.046 0.971 1.00 0.00 C ATOM 527 NH1 ARG A 33 -0.011 -6.184 1.559 1.00 0.00 N ATOM 528 NH2 ARG A 33 1.423 -4.502 1.082 1.00 0.00 N ATOM 0 H ARG A 33 -2.452 -0.489 -0.386 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.440 -0.295 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.441 -2.438 2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.160 -2.697 1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.786 -2.124 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.204 -2.349 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.130 -4.673 1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.829 -4.453 0.249 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.510 -4.199 -0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.934 -6.609 1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.715 -6.648 2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.620 -3.613 0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.149 -4.966 1.628 1.00 0.00 H new ATOM 542 N ASN A 34 -2.715 1.007 3.041 1.00 0.00 N ATOM 543 CA ASN A 34 -1.661 1.760 3.781 1.00 0.00 C ATOM 544 C ASN A 34 -2.298 2.694 4.817 1.00 0.00 C ATOM 545 O ASN A 34 -3.128 2.286 5.603 1.00 0.00 O ATOM 546 CB ASN A 34 -0.921 2.561 2.709 1.00 0.00 C ATOM 547 CG ASN A 34 -1.884 3.553 2.054 1.00 0.00 C ATOM 548 OD1 ASN A 34 -3.085 3.375 2.104 1.00 0.00 O ATOM 549 ND2 ASN A 34 -1.405 4.598 1.436 1.00 0.00 N ATOM 0 H ASN A 34 -3.675 1.279 3.254 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.990 1.099 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.081 3.094 3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.509 1.888 1.957 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.039 5.265 0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.397 4.748 1.394 1.00 0.00 H new ATOM 556 N PHE A 35 -1.911 3.943 4.827 1.00 0.00 N ATOM 557 CA PHE A 35 -2.491 4.900 5.814 1.00 0.00 C ATOM 558 C PHE A 35 -2.126 4.478 7.239 1.00 0.00 C ATOM 559 O PHE A 35 -2.841 3.732 7.878 1.00 0.00 O ATOM 560 CB PHE A 35 -4.005 4.829 5.601 1.00 0.00 C ATOM 561 CG PHE A 35 -4.681 5.887 6.441 1.00 0.00 C ATOM 562 CD1 PHE A 35 -4.875 7.173 5.925 1.00 0.00 C ATOM 563 CD2 PHE A 35 -5.114 5.579 7.737 1.00 0.00 C ATOM 564 CE1 PHE A 35 -5.502 8.153 6.704 1.00 0.00 C ATOM 565 CE2 PHE A 35 -5.740 6.559 8.516 1.00 0.00 C ATOM 566 CZ PHE A 35 -5.934 7.846 8.000 1.00 0.00 C ATOM 0 H PHE A 35 -1.218 4.341 4.194 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.111 5.912 5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.242 4.979 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.376 3.841 5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.541 7.410 4.926 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.965 4.586 8.135 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.652 9.145 6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.074 6.322 9.516 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.417 8.602 8.602 1.00 0.00 H new ATOM 576 N ALA A 36 -1.018 4.951 7.742 1.00 0.00 N ATOM 577 CA ALA A 36 -0.605 4.579 9.128 1.00 0.00 C ATOM 578 C ALA A 36 -1.766 4.799 10.106 1.00 0.00 C ATOM 579 O ALA A 36 -2.100 5.923 10.424 1.00 0.00 O ATOM 580 CB ALA A 36 0.557 5.516 9.456 1.00 0.00 C ATOM 0 H ALA A 36 -0.380 5.579 7.254 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.320 3.530 9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.920 5.307 10.462 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.363 5.360 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.217 6.550 9.401 1.00 0.00 H new ATOM 586 N PRO A 37 -2.345 3.713 10.553 1.00 0.00 N ATOM 587 CA PRO A 37 -3.481 3.785 11.506 1.00 0.00 C ATOM 588 C PRO A 37 -3.032 4.386 12.844 1.00 0.00 C ATOM 589 O PRO A 37 -3.829 4.592 13.737 1.00 0.00 O ATOM 590 CB PRO A 37 -3.871 2.313 11.673 1.00 0.00 C ATOM 591 CG PRO A 37 -2.933 1.449 10.806 1.00 0.00 C ATOM 592 CD PRO A 37 -1.903 2.364 10.131 1.00 0.00 C ATOM 0 HA PRO A 37 -4.300 4.415 11.160 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.795 2.019 12.720 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.908 2.161 11.374 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.430 0.704 11.422 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.507 0.907 10.054 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.888 2.147 10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.913 2.255 9.047 1.00 0.00 H new ATOM 600 N ILE A 38 -1.764 4.663 12.992 1.00 0.00 N ATOM 601 CA ILE A 38 -1.272 5.245 14.275 1.00 0.00 C ATOM 602 C ILE A 38 -1.532 4.272 15.429 1.00 0.00 C ATOM 603 O ILE A 38 -2.377 4.517 16.267 1.00 0.00 O ATOM 604 CB ILE A 38 -2.074 6.533 14.465 1.00 0.00 C ATOM 605 CG1 ILE A 38 -2.002 7.374 13.190 1.00 0.00 C ATOM 606 CG2 ILE A 38 -1.490 7.329 15.634 1.00 0.00 C ATOM 607 CD1 ILE A 38 -3.417 7.718 12.724 1.00 0.00 C ATOM 0 H ILE A 38 -1.048 4.512 12.281 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.199 5.437 14.256 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.114 6.284 14.677 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.437 8.287 13.376 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.474 6.826 12.410 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.061 8.247 15.770 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.542 6.731 16.544 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.450 7.577 15.422 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.365 8.318 11.815 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.967 6.799 12.522 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.929 8.283 13.503 1.00 0.00 H new ATOM 619 N PRO A 39 -0.791 3.195 15.432 1.00 0.00 N ATOM 620 CA PRO A 39 -0.935 2.167 16.490 1.00 0.00 C ATOM 621 C PRO A 39 -0.622 2.763 17.865 1.00 0.00 C ATOM 622 O PRO A 39 0.109 3.726 17.984 1.00 0.00 O ATOM 623 CB PRO A 39 0.113 1.125 16.088 1.00 0.00 C ATOM 624 CG PRO A 39 0.823 1.604 14.806 1.00 0.00 C ATOM 625 CD PRO A 39 0.224 2.952 14.382 1.00 0.00 C ATOM 0 HA PRO A 39 -1.941 1.756 16.570 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.837 0.988 16.892 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.361 0.159 15.918 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.894 1.706 14.983 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.700 0.870 14.010 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.977 3.740 14.355 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.223 2.903 13.389 1.00 0.00 H new ATOM 633 N GLY A 40 -1.169 2.194 18.905 1.00 0.00 N ATOM 634 CA GLY A 40 -0.903 2.727 20.271 1.00 0.00 C ATOM 635 C GLY A 40 -2.232 3.040 20.964 1.00 0.00 C ATOM 636 O GLY A 40 -2.312 3.909 21.808 1.00 0.00 O ATOM 0 H GLY A 40 -1.788 1.384 18.868 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.339 1.999 20.854 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.292 3.627 20.209 1.00 0.00 H new ATOM 640 N GLU A 41 -3.274 2.336 20.615 1.00 0.00 N ATOM 641 CA GLU A 41 -4.596 2.593 21.254 1.00 0.00 C ATOM 642 C GLU A 41 -5.152 1.298 21.856 1.00 0.00 C ATOM 643 O GLU A 41 -6.096 0.731 21.343 1.00 0.00 O ATOM 644 CB GLU A 41 -5.496 3.086 20.120 1.00 0.00 C ATOM 645 CG GLU A 41 -5.343 4.601 19.971 1.00 0.00 C ATOM 646 CD GLU A 41 -6.150 5.077 18.761 1.00 0.00 C ATOM 647 OE1 GLU A 41 -6.939 4.296 18.256 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.966 6.215 18.361 1.00 0.00 O ATOM 0 H GLU A 41 -3.267 1.594 19.915 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.529 3.318 22.065 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.229 2.589 19.187 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.535 2.833 20.330 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.690 5.103 20.874 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.292 4.861 19.846 1.00 0.00 H new ATOM 655 N PRO A 42 -4.542 0.871 22.931 1.00 0.00 N ATOM 656 CA PRO A 42 -4.971 -0.369 23.617 1.00 0.00 C ATOM 657 C PRO A 42 -6.417 -0.238 24.106 1.00 0.00 C ATOM 658 O PRO A 42 -6.672 0.200 25.211 1.00 0.00 O ATOM 659 CB PRO A 42 -3.996 -0.459 24.793 1.00 0.00 C ATOM 660 CG PRO A 42 -3.036 0.746 24.733 1.00 0.00 C ATOM 661 CD PRO A 42 -3.395 1.605 23.513 1.00 0.00 C ATOM 0 HA PRO A 42 -4.954 -1.252 22.979 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.541 -0.461 25.737 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.434 -1.392 24.748 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.114 1.336 25.646 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.004 0.403 24.662 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.666 2.622 23.798 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.564 1.681 22.812 1.00 0.00 H new ATOM 669 N VAL A 43 -7.363 -0.617 23.292 1.00 0.00 N ATOM 670 CA VAL A 43 -8.791 -0.515 23.710 1.00 0.00 C ATOM 671 C VAL A 43 -9.542 -1.793 23.328 1.00 0.00 C ATOM 672 O VAL A 43 -9.485 -2.245 22.202 1.00 0.00 O ATOM 673 CB VAL A 43 -9.345 0.683 22.939 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.252 0.409 21.437 1.00 0.00 C ATOM 675 CG2 VAL A 43 -10.808 0.906 23.326 1.00 0.00 C ATOM 0 H VAL A 43 -7.210 -0.993 22.356 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.900 -0.390 24.787 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.764 1.573 23.183 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.647 1.263 20.886 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.210 0.249 21.160 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.833 -0.480 21.193 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.204 1.760 22.777 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.389 0.017 23.081 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.876 1.100 24.396 1.00 0.00 H new ATOM 685 N VAL A 44 -10.246 -2.380 24.257 1.00 0.00 N ATOM 686 CA VAL A 44 -10.997 -3.629 23.942 1.00 0.00 C ATOM 687 C VAL A 44 -12.135 -3.833 24.948 1.00 0.00 C ATOM 688 O VAL A 44 -12.066 -4.698 25.797 1.00 0.00 O ATOM 689 CB VAL A 44 -9.962 -4.749 24.059 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.674 -6.094 24.213 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.095 -4.775 22.798 1.00 0.00 C ATOM 0 H VAL A 44 -10.334 -2.050 25.218 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.455 -3.600 22.953 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.334 -4.570 24.932 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.934 -6.890 24.296 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.292 -6.078 25.111 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.304 -6.274 23.342 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.357 -5.573 22.880 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.725 -4.952 21.927 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.584 -3.818 22.688 1.00 0.00 H new ATOM 701 N PRO A 45 -13.154 -3.024 24.816 1.00 0.00 N ATOM 702 CA PRO A 45 -14.324 -3.116 25.718 1.00 0.00 C ATOM 703 C PRO A 45 -15.016 -4.471 25.549 1.00 0.00 C ATOM 704 O PRO A 45 -15.023 -5.043 24.477 1.00 0.00 O ATOM 705 CB PRO A 45 -15.218 -1.974 25.226 1.00 0.00 C ATOM 706 CG PRO A 45 -14.515 -1.267 24.049 1.00 0.00 C ATOM 707 CD PRO A 45 -13.187 -1.982 23.764 1.00 0.00 C ATOM 0 HA PRO A 45 -14.075 -3.037 26.776 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.186 -2.362 24.910 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.406 -1.267 26.034 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.151 -1.285 23.164 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.335 -0.220 24.291 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.165 -2.414 22.764 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.337 -1.304 23.837 1.00 0.00 H new ATOM 715 N ILE A 46 -15.598 -4.990 26.594 1.00 0.00 N ATOM 716 CA ILE A 46 -16.287 -6.307 26.480 1.00 0.00 C ATOM 717 C ILE A 46 -17.229 -6.303 25.272 1.00 0.00 C ATOM 718 O ILE A 46 -17.518 -7.331 24.694 1.00 0.00 O ATOM 719 CB ILE A 46 -17.076 -6.456 27.781 1.00 0.00 C ATOM 720 CG1 ILE A 46 -17.510 -7.913 27.950 1.00 0.00 C ATOM 721 CG2 ILE A 46 -18.313 -5.557 27.737 1.00 0.00 C ATOM 722 CD1 ILE A 46 -17.810 -8.187 29.425 1.00 0.00 C ATOM 0 H ILE A 46 -15.627 -4.562 27.519 1.00 0.00 H new ATOM 0 HA ILE A 46 -15.588 -7.131 26.335 1.00 0.00 H new ATOM 0 HB ILE A 46 -16.446 -6.164 28.621 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -18.394 -8.113 27.345 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -16.724 -8.581 27.597 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -18.874 -5.665 28.665 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -18.004 -4.519 27.618 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.943 -5.846 26.896 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -18.119 -9.225 29.547 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -16.914 -8.003 30.019 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.610 -7.528 29.762 1.00 0.00 H new ATOM 734 N LEU A 47 -17.703 -5.150 24.883 1.00 0.00 N ATOM 735 CA LEU A 47 -18.619 -5.078 23.708 1.00 0.00 C ATOM 736 C LEU A 47 -17.823 -4.729 22.448 1.00 0.00 C ATOM 737 O LEU A 47 -18.382 -4.449 21.406 1.00 0.00 O ATOM 738 CB LEU A 47 -19.608 -3.960 24.040 1.00 0.00 C ATOM 739 CG LEU A 47 -20.325 -4.283 25.351 1.00 0.00 C ATOM 740 CD1 LEU A 47 -21.004 -3.021 25.886 1.00 0.00 C ATOM 741 CD2 LEU A 47 -21.378 -5.365 25.105 1.00 0.00 C ATOM 0 H LEU A 47 -17.496 -4.256 25.327 1.00 0.00 H new ATOM 0 HA LEU A 47 -19.125 -6.025 23.519 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -19.082 -3.009 24.126 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -20.334 -3.851 23.234 1.00 0.00 H new ATOM 0 HG LEU A 47 -19.600 -4.642 26.082 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -21.515 -3.251 26.821 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.253 -2.251 26.063 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.728 -2.660 25.156 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -21.889 -5.595 26.040 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -22.103 -5.008 24.374 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -20.893 -6.265 24.726 1.00 0.00 H new ATOM 753 N CYS A 48 -16.520 -4.743 22.539 1.00 0.00 N ATOM 754 CA CYS A 48 -15.678 -4.410 21.353 1.00 0.00 C ATOM 755 C CYS A 48 -15.776 -2.916 21.036 1.00 0.00 C ATOM 756 O CYS A 48 -16.851 -2.363 20.920 1.00 0.00 O ATOM 757 CB CYS A 48 -16.244 -5.248 20.205 1.00 0.00 C ATOM 758 SG CYS A 48 -14.947 -6.340 19.569 1.00 0.00 S ATOM 0 H CYS A 48 -16.001 -4.972 23.387 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.624 -4.627 21.525 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.093 -5.836 20.553 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -16.611 -4.598 19.411 1.00 0.00 H new ATOM 763 N SER A 49 -14.656 -2.259 20.903 1.00 0.00 N ATOM 764 CA SER A 49 -14.676 -0.800 20.601 1.00 0.00 C ATOM 765 C SER A 49 -15.492 -0.528 19.337 1.00 0.00 C ATOM 766 O SER A 49 -16.636 -0.124 19.401 1.00 0.00 O ATOM 767 CB SER A 49 -13.211 -0.420 20.383 1.00 0.00 C ATOM 768 OG SER A 49 -12.721 -1.068 19.218 1.00 0.00 O ATOM 0 H SER A 49 -13.727 -2.671 20.991 1.00 0.00 H new ATOM 0 HA SER A 49 -15.134 -0.222 21.403 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.117 0.661 20.278 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.617 -0.709 21.250 1.00 0.00 H new ATOM 0 HG SER A 49 -11.783 -0.823 19.078 1.00 0.00 H new ATOM 774 N ASN A 50 -14.912 -0.743 18.191 1.00 0.00 N ATOM 775 CA ASN A 50 -15.649 -0.494 16.918 1.00 0.00 C ATOM 776 C ASN A 50 -16.583 -1.670 16.605 1.00 0.00 C ATOM 777 O ASN A 50 -16.128 -2.760 16.315 1.00 0.00 O ATOM 778 CB ASN A 50 -14.558 -0.382 15.854 1.00 0.00 C ATOM 779 CG ASN A 50 -14.028 1.052 15.815 1.00 0.00 C ATOM 780 OD1 ASN A 50 -14.872 2.047 15.781 1.00 0.00 O flip ATOM 781 ND2 ASN A 50 -12.833 1.271 15.814 1.00 0.00 N flip ATOM 0 H ASN A 50 -13.956 -1.081 18.078 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.271 0.400 16.967 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.746 -1.075 16.076 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.957 -0.660 14.878 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.172 0.494 15.841 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.491 2.231 15.787 1.00 0.00 H new ATOM 788 N PRO A 51 -17.867 -1.412 16.669 1.00 0.00 N ATOM 789 CA PRO A 51 -18.874 -2.462 16.386 1.00 0.00 C ATOM 790 C PRO A 51 -18.770 -2.941 14.935 1.00 0.00 C ATOM 791 O PRO A 51 -19.447 -3.865 14.528 1.00 0.00 O ATOM 792 CB PRO A 51 -20.199 -1.732 16.624 1.00 0.00 C ATOM 793 CG PRO A 51 -19.897 -0.278 17.035 1.00 0.00 C ATOM 794 CD PRO A 51 -18.377 -0.066 17.024 1.00 0.00 C ATOM 0 HA PRO A 51 -18.753 -3.354 17.001 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.808 -1.750 15.720 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.772 -2.234 17.404 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.380 0.416 16.347 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.299 -0.075 18.028 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.078 0.687 16.295 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.007 0.265 17.994 1.00 0.00 H new ATOM 802 N ASN A 52 -17.934 -2.320 14.150 1.00 0.00 N ATOM 803 CA ASN A 52 -17.798 -2.743 12.727 1.00 0.00 C ATOM 804 C ASN A 52 -16.322 -2.887 12.348 1.00 0.00 C ATOM 805 O ASN A 52 -15.944 -2.708 11.208 1.00 0.00 O ATOM 806 CB ASN A 52 -18.453 -1.624 11.920 1.00 0.00 C ATOM 807 CG ASN A 52 -19.974 -1.769 11.990 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.644 -1.068 12.864 1.00 0.00 O flip ATOM 809 ND2 ASN A 52 -20.560 -2.528 11.245 1.00 0.00 N flip ATOM 0 H ASN A 52 -17.340 -1.540 14.431 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.264 -3.710 12.540 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.151 -0.653 12.313 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.120 -1.666 10.883 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -20.038 -3.076 10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -21.574 -2.617 11.303 1.00 0.00 H new ATOM 816 N PHE A 53 -15.487 -3.223 13.292 1.00 0.00 N ATOM 817 CA PHE A 53 -14.039 -3.394 12.973 1.00 0.00 C ATOM 818 C PHE A 53 -13.838 -4.755 12.306 1.00 0.00 C ATOM 819 O PHE A 53 -14.798 -5.452 12.048 1.00 0.00 O ATOM 820 CB PHE A 53 -13.310 -3.317 14.323 1.00 0.00 C ATOM 821 CG PHE A 53 -13.274 -4.681 14.981 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.468 -5.327 15.328 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.042 -5.296 15.249 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.429 -6.585 15.940 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.007 -6.556 15.862 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.200 -7.199 16.206 1.00 0.00 C ATOM 0 H PHE A 53 -15.741 -3.386 14.266 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.659 -2.636 12.288 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.294 -2.951 14.175 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.814 -2.604 14.976 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.417 -4.855 15.123 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.121 -4.799 14.983 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.349 -7.083 16.208 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.059 -7.030 16.069 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.173 -8.170 16.677 1.00 0.00 H new ATOM 836 N PRO A 54 -12.604 -5.106 12.050 1.00 0.00 N ATOM 837 CA PRO A 54 -12.315 -6.409 11.417 1.00 0.00 C ATOM 838 C PRO A 54 -12.929 -7.541 12.248 1.00 0.00 C ATOM 839 O PRO A 54 -12.250 -8.247 12.966 1.00 0.00 O ATOM 840 CB PRO A 54 -10.783 -6.450 11.416 1.00 0.00 C ATOM 841 CG PRO A 54 -10.254 -5.135 12.023 1.00 0.00 C ATOM 842 CD PRO A 54 -11.447 -4.240 12.379 1.00 0.00 C ATOM 0 HA PRO A 54 -12.731 -6.529 10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.427 -7.303 11.994 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.409 -6.575 10.400 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.659 -5.342 12.912 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.600 -4.628 11.313 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.440 -3.953 13.431 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.451 -3.318 11.797 1.00 0.00 H new ATOM 850 N GLU A 55 -14.223 -7.700 12.158 1.00 0.00 N ATOM 851 CA GLU A 55 -14.913 -8.766 12.938 1.00 0.00 C ATOM 852 C GLU A 55 -14.133 -10.077 12.856 1.00 0.00 C ATOM 853 O GLU A 55 -14.071 -10.832 13.806 1.00 0.00 O ATOM 854 CB GLU A 55 -16.285 -8.907 12.282 1.00 0.00 C ATOM 855 CG GLU A 55 -16.126 -9.560 10.908 1.00 0.00 C ATOM 856 CD GLU A 55 -17.493 -9.658 10.227 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.474 -9.303 10.860 1.00 0.00 O ATOM 858 OE2 GLU A 55 -17.534 -10.084 9.085 1.00 0.00 O ATOM 0 H GLU A 55 -14.835 -7.132 11.573 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.992 -8.519 13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.940 -9.510 12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.754 -7.928 12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.443 -8.975 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.689 -10.553 11.014 1.00 0.00 H new ATOM 865 N GLU A 56 -13.518 -10.351 11.736 1.00 0.00 N ATOM 866 CA GLU A 56 -12.728 -11.609 11.623 1.00 0.00 C ATOM 867 C GLU A 56 -11.722 -11.665 12.773 1.00 0.00 C ATOM 868 O GLU A 56 -11.212 -12.710 13.129 1.00 0.00 O ATOM 869 CB GLU A 56 -12.008 -11.508 10.277 1.00 0.00 C ATOM 870 CG GLU A 56 -13.040 -11.496 9.148 1.00 0.00 C ATOM 871 CD GLU A 56 -12.319 -11.522 7.797 1.00 0.00 C ATOM 872 OE1 GLU A 56 -11.752 -10.506 7.432 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.349 -12.557 7.153 1.00 0.00 O ATOM 0 H GLU A 56 -13.529 -9.763 10.902 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.343 -12.507 11.676 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.404 -10.601 10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.327 -12.350 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.701 -12.358 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.665 -10.606 9.222 1.00 0.00 H new ATOM 880 N LEU A 57 -11.450 -10.533 13.361 1.00 0.00 N ATOM 881 CA LEU A 57 -10.495 -10.477 14.501 1.00 0.00 C ATOM 882 C LEU A 57 -11.276 -10.506 15.813 1.00 0.00 C ATOM 883 O LEU A 57 -10.757 -10.219 16.875 1.00 0.00 O ATOM 884 CB LEU A 57 -9.762 -9.149 14.329 1.00 0.00 C ATOM 885 CG LEU A 57 -8.844 -9.245 13.111 1.00 0.00 C ATOM 886 CD1 LEU A 57 -9.684 -9.439 11.846 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.018 -7.962 12.988 1.00 0.00 C ATOM 0 H LEU A 57 -11.854 -9.635 13.096 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.800 -11.317 14.521 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.478 -8.337 14.199 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.181 -8.921 15.222 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.174 -10.096 13.232 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.026 -9.507 10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.266 -10.357 11.933 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.359 -8.592 11.724 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.364 -8.032 12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.686 -7.109 12.871 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.415 -7.830 13.886 1.00 0.00 H new ATOM 899 N LYS A 58 -12.529 -10.856 15.734 1.00 0.00 N ATOM 900 CA LYS A 58 -13.378 -10.920 16.955 1.00 0.00 C ATOM 901 C LYS A 58 -12.588 -11.505 18.130 1.00 0.00 C ATOM 902 O LYS A 58 -12.549 -10.919 19.193 1.00 0.00 O ATOM 903 CB LYS A 58 -14.547 -11.830 16.574 1.00 0.00 C ATOM 904 CG LYS A 58 -15.111 -12.502 17.829 1.00 0.00 C ATOM 905 CD LYS A 58 -16.233 -13.464 17.434 1.00 0.00 C ATOM 906 CE LYS A 58 -17.586 -12.799 17.692 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.234 -12.724 16.353 1.00 0.00 N ATOM 0 H LYS A 58 -13.006 -11.103 14.867 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.718 -9.935 17.274 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.326 -11.249 16.080 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.214 -12.587 15.863 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.321 -13.043 18.351 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.490 -11.748 18.519 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.142 -13.733 16.382 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.154 -14.388 18.007 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.187 -13.382 18.390 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.463 -11.808 18.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.169 -12.279 16.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.642 -12.158 15.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.344 -13.683 15.966 1.00 0.00 H new ATOM 921 N PRO A 59 -11.975 -12.644 17.911 1.00 0.00 N ATOM 922 CA PRO A 59 -11.183 -13.288 18.980 1.00 0.00 C ATOM 923 C PRO A 59 -10.153 -12.302 19.536 1.00 0.00 C ATOM 924 O PRO A 59 -9.980 -12.188 20.734 1.00 0.00 O ATOM 925 CB PRO A 59 -10.517 -14.459 18.250 1.00 0.00 C ATOM 926 CG PRO A 59 -10.974 -14.442 16.777 1.00 0.00 C ATOM 927 CD PRO A 59 -12.029 -13.341 16.602 1.00 0.00 C ATOM 0 HA PRO A 59 -11.770 -13.612 19.839 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.432 -14.375 18.311 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.791 -15.403 18.720 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.124 -14.259 16.120 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.389 -15.411 16.499 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.787 -12.673 15.775 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.018 -13.753 16.401 1.00 0.00 H new ATOM 935 N LEU A 60 -9.475 -11.583 18.685 1.00 0.00 N ATOM 936 CA LEU A 60 -8.471 -10.605 19.182 1.00 0.00 C ATOM 937 C LEU A 60 -9.148 -9.608 20.123 1.00 0.00 C ATOM 938 O LEU A 60 -8.595 -9.218 21.130 1.00 0.00 O ATOM 939 CB LEU A 60 -7.950 -9.892 17.935 1.00 0.00 C ATOM 940 CG LEU A 60 -6.898 -10.765 17.247 1.00 0.00 C ATOM 941 CD1 LEU A 60 -5.600 -10.723 18.051 1.00 0.00 C ATOM 942 CD2 LEU A 60 -7.395 -12.208 17.167 1.00 0.00 C ATOM 0 H LEU A 60 -9.573 -11.631 17.671 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.664 -11.084 19.737 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.773 -9.688 17.250 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.517 -8.930 18.208 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.721 -10.387 16.240 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.849 -11.344 17.563 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.240 -9.696 18.107 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.783 -11.099 19.058 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.642 -12.825 16.676 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.576 -12.587 18.173 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.322 -12.242 16.595 1.00 0.00 H new ATOM 954 N CYS A 61 -10.349 -9.198 19.809 1.00 0.00 N ATOM 955 CA CYS A 61 -11.059 -8.232 20.693 1.00 0.00 C ATOM 956 C CYS A 61 -11.395 -8.891 22.033 1.00 0.00 C ATOM 957 O CYS A 61 -11.474 -8.238 23.054 1.00 0.00 O ATOM 958 CB CYS A 61 -12.340 -7.878 19.934 1.00 0.00 C ATOM 959 SG CYS A 61 -13.266 -6.627 20.857 1.00 0.00 S ATOM 0 H CYS A 61 -10.867 -9.491 18.980 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.457 -7.351 20.915 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.094 -7.504 18.940 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.951 -8.770 19.796 1.00 0.00 H new ATOM 964 N LYS A 62 -11.595 -10.180 22.038 1.00 0.00 N ATOM 965 CA LYS A 62 -11.927 -10.876 23.313 1.00 0.00 C ATOM 966 C LYS A 62 -10.662 -11.475 23.929 1.00 0.00 C ATOM 967 O LYS A 62 -10.717 -12.197 24.905 1.00 0.00 O ATOM 968 CB LYS A 62 -12.905 -11.983 22.919 1.00 0.00 C ATOM 969 CG LYS A 62 -14.201 -11.358 22.403 1.00 0.00 C ATOM 970 CD LYS A 62 -15.222 -12.461 22.122 1.00 0.00 C ATOM 971 CE LYS A 62 -16.470 -11.848 21.484 1.00 0.00 C ATOM 972 NZ LYS A 62 -17.079 -11.019 22.563 1.00 0.00 N ATOM 0 H LYS A 62 -11.543 -10.781 21.215 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.355 -10.200 24.053 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.463 -12.617 22.150 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.113 -12.622 23.777 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.598 -10.659 23.139 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.006 -10.788 21.495 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.791 -13.210 21.458 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.487 -12.971 23.048 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.213 -11.241 20.616 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.159 -12.620 21.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.095 -10.900 22.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.948 -11.492 23.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.619 -10.086 22.586 1.00 0.00 H new ATOM 986 N GLU A 63 -9.522 -11.185 23.365 1.00 0.00 N ATOM 987 CA GLU A 63 -8.255 -11.743 23.919 1.00 0.00 C ATOM 988 C GLU A 63 -7.549 -10.700 24.789 1.00 0.00 C ATOM 989 O GLU A 63 -7.581 -9.523 24.491 1.00 0.00 O ATOM 990 CB GLU A 63 -7.405 -12.076 22.693 1.00 0.00 C ATOM 991 CG GLU A 63 -7.193 -13.586 22.615 1.00 0.00 C ATOM 992 CD GLU A 63 -6.546 -13.940 21.276 1.00 0.00 C ATOM 993 OE1 GLU A 63 -5.582 -13.285 20.914 1.00 0.00 O ATOM 994 OE2 GLU A 63 -7.024 -14.860 20.634 1.00 0.00 O ATOM 0 H GLU A 63 -9.412 -10.587 22.546 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.430 -12.615 24.549 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.898 -11.720 21.788 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.444 -11.566 22.754 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.559 -13.918 23.437 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.146 -14.104 22.719 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.926 -11.167 25.838 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.196 -10.265 26.756 1.00 0.00 C ATOM 1003 C PRO A 64 -5.040 -9.581 26.017 1.00 0.00 C ATOM 1004 O PRO A 64 -4.619 -8.497 26.371 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.676 -11.225 27.830 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.136 -12.654 27.481 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.919 -12.613 26.162 1.00 0.00 C ATOM 0 HA PRO A 64 -6.807 -9.460 27.165 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.588 -11.180 27.882 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.054 -10.935 28.811 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.275 -13.316 27.388 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.761 -13.055 28.279 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.433 -13.201 25.383 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.928 -13.008 26.277 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.525 -10.207 24.994 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.397 -9.595 24.235 1.00 0.00 C ATOM 1017 C ASN A 65 -3.928 -8.665 23.140 1.00 0.00 C ATOM 1018 O ASN A 65 -3.172 -8.017 22.444 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.648 -10.776 23.617 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.085 -11.661 24.731 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.061 -11.269 25.881 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.628 -12.847 24.438 1.00 0.00 N ATOM 0 H ASN A 65 -4.836 -11.116 24.651 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.754 -8.991 24.875 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.319 -11.354 22.982 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.840 -10.415 22.981 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.251 -13.444 25.174 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.648 -13.177 23.473 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.221 -8.589 22.983 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.793 -7.693 21.936 1.00 0.00 C ATOM 1031 C ALA A 66 -5.050 -6.354 21.930 1.00 0.00 C ATOM 1032 O ALA A 66 -4.767 -5.791 20.892 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.250 -7.487 22.347 1.00 0.00 C ATOM 0 H ALA A 66 -5.906 -9.107 23.533 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.705 -8.116 20.935 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.743 -6.836 21.625 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.760 -8.450 22.375 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.288 -7.027 23.335 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.737 -5.843 23.090 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.017 -4.538 23.168 1.00 0.00 C ATOM 1041 C GLN A 67 -2.650 -4.640 22.488 1.00 0.00 C ATOM 1042 O GLN A 67 -2.218 -3.734 21.805 1.00 0.00 O ATOM 1043 CB GLN A 67 -3.852 -4.270 24.665 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.228 -4.054 25.298 1.00 0.00 C ATOM 1045 CD GLN A 67 -5.066 -3.820 26.801 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.050 -4.158 27.375 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -6.032 -3.250 27.467 1.00 0.00 N ATOM 0 H GLN A 67 -4.949 -6.274 23.990 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.559 -3.738 22.664 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.348 -5.110 25.143 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.226 -3.392 24.821 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.722 -3.199 24.837 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.862 -4.922 25.120 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.885 -2.966 26.985 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.934 -3.088 28.469 1.00 0.00 H new ATOM 1056 N GLU A 68 -1.967 -5.738 22.663 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.632 -5.891 22.018 1.00 0.00 C ATOM 1058 C GLU A 68 -0.806 -6.290 20.552 1.00 0.00 C ATOM 1059 O GLU A 68 -0.011 -5.937 19.703 1.00 0.00 O ATOM 1060 CB GLU A 68 0.065 -7.004 22.800 1.00 0.00 C ATOM 1061 CG GLU A 68 0.288 -6.551 24.244 1.00 0.00 C ATOM 1062 CD GLU A 68 1.243 -5.355 24.264 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.869 -5.105 23.246 1.00 0.00 O ATOM 1064 OE2 GLU A 68 1.332 -4.710 25.295 1.00 0.00 O ATOM 0 H GLU A 68 -2.274 -6.533 23.223 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.055 -4.966 22.033 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.541 -7.910 22.781 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.019 -7.249 22.333 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.663 -6.278 24.701 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.701 -7.370 24.833 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.842 -7.023 20.246 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.067 -7.441 18.834 1.00 0.00 C ATOM 1073 C ILE A 69 -2.575 -6.255 18.010 1.00 0.00 C ATOM 1074 O ILE A 69 -2.124 -6.014 16.908 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.130 -8.538 18.902 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.642 -9.675 19.803 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.381 -9.076 17.491 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.826 -10.571 20.181 1.00 0.00 C ATOM 0 H ILE A 69 -2.541 -7.350 20.913 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.151 -7.794 18.359 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.053 -8.129 19.312 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.880 -10.260 19.288 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.179 -9.268 20.702 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.138 -9.859 17.530 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.729 -8.266 16.849 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.455 -9.486 17.088 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.479 -11.381 20.823 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.573 -9.982 20.713 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.269 -10.989 19.277 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.513 -5.515 18.536 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.052 -4.346 17.784 1.00 0.00 C ATOM 1092 C LEU A 70 -2.907 -3.467 17.272 1.00 0.00 C ATOM 1093 O LEU A 70 -2.763 -3.251 16.086 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.905 -3.582 18.801 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.367 -2.252 18.198 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.245 -1.218 18.318 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.724 -2.449 16.723 1.00 0.00 C ATOM 0 H LEU A 70 -3.929 -5.669 19.454 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.630 -4.648 16.911 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.769 -4.181 19.087 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.329 -3.400 19.708 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.246 -1.899 18.737 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.575 -0.272 17.889 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.995 -1.072 19.369 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.365 -1.573 17.782 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.052 -1.500 16.298 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.848 -2.806 16.181 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.527 -3.182 16.638 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.093 -2.961 18.155 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.959 -2.096 17.715 1.00 0.00 C ATOM 1111 C GLN A 71 -0.203 -2.757 16.559 1.00 0.00 C ATOM 1112 O GLN A 71 0.007 -2.159 15.522 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.061 -1.978 18.947 1.00 0.00 C ATOM 1114 CG GLN A 71 1.031 -0.937 18.690 1.00 0.00 C ATOM 1115 CD GLN A 71 1.888 -0.781 19.948 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.596 -1.365 20.972 1.00 0.00 O ATOM 1117 NE2 GLN A 71 2.942 -0.015 19.913 1.00 0.00 N ATOM 0 H GLN A 71 -2.162 -3.108 19.162 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.294 -1.123 17.355 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.654 -1.691 19.815 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.390 -2.944 19.174 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.652 -1.245 17.849 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.582 0.019 18.421 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.188 0.476 19.053 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.521 0.094 20.745 1.00 0.00 H new ATOM 1126 N ARG A 72 0.209 -3.983 16.728 1.00 0.00 N ATOM 1127 CA ARG A 72 0.953 -4.677 15.637 1.00 0.00 C ATOM 1128 C ARG A 72 0.134 -4.657 14.343 1.00 0.00 C ATOM 1129 O ARG A 72 0.586 -4.184 13.319 1.00 0.00 O ATOM 1130 CB ARG A 72 1.138 -6.112 16.134 1.00 0.00 C ATOM 1131 CG ARG A 72 2.099 -6.120 17.324 1.00 0.00 C ATOM 1132 CD ARG A 72 2.566 -7.552 17.593 1.00 0.00 C ATOM 1133 NE ARG A 72 1.332 -8.292 17.975 1.00 0.00 N ATOM 1134 CZ ARG A 72 1.109 -9.486 17.495 1.00 0.00 C ATOM 1135 NH1 ARG A 72 2.077 -10.361 17.452 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -0.078 -9.804 17.059 1.00 0.00 N ATOM 0 H ARG A 72 0.063 -4.535 17.573 1.00 0.00 H new ATOM 0 HA ARG A 72 1.906 -4.197 15.416 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.176 -6.534 16.427 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.530 -6.738 15.332 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.956 -5.479 17.117 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.605 -5.715 18.207 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.031 -7.989 16.709 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.308 -7.582 18.391 1.00 0.00 H new ATOM 0 HE ARG A 72 0.660 -7.866 18.613 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.005 -10.112 17.793 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.905 -11.294 17.078 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.834 -9.120 17.093 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.251 -10.737 16.684 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.067 -5.169 14.380 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.911 -5.179 13.151 1.00 0.00 C ATOM 1152 C LEU A 73 -1.931 -3.788 12.512 1.00 0.00 C ATOM 1153 O LEU A 73 -1.678 -3.632 11.335 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.309 -5.570 13.633 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.270 -6.989 14.206 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.698 -7.473 14.465 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.590 -7.924 13.204 1.00 0.00 C ATOM 0 H LEU A 73 -1.499 -5.580 15.207 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.534 -5.869 12.396 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.653 -4.868 14.393 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.018 -5.519 12.807 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.710 -6.988 15.141 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.671 -8.483 14.873 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.184 -6.807 15.177 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.257 -7.474 13.529 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.562 -8.935 13.611 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.150 -7.925 12.269 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.573 -7.579 13.017 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.230 -2.774 13.279 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.265 -1.396 12.711 1.00 0.00 C ATOM 1171 C GLU A 74 -0.944 -1.075 12.002 1.00 0.00 C ATOM 1172 O GLU A 74 -0.930 -0.616 10.878 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.461 -0.471 13.914 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.775 -0.816 14.621 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.939 -0.647 13.644 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -4.759 0.032 12.647 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.994 -1.200 13.911 1.00 0.00 O ATOM 0 H GLU A 74 -2.451 -2.840 14.273 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.058 -1.280 11.972 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.626 -0.577 14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.475 0.569 13.587 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.743 -1.841 14.991 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.916 -0.168 15.486 1.00 0.00 H new ATOM 1184 N GLU A 75 0.166 -1.306 12.652 1.00 0.00 N ATOM 1185 CA GLU A 75 1.481 -1.004 12.012 1.00 0.00 C ATOM 1186 C GLU A 75 1.597 -1.716 10.663 1.00 0.00 C ATOM 1187 O GLU A 75 1.892 -1.107 9.653 1.00 0.00 O ATOM 1188 CB GLU A 75 2.530 -1.534 12.989 1.00 0.00 C ATOM 1189 CG GLU A 75 2.515 -0.688 14.264 1.00 0.00 C ATOM 1190 CD GLU A 75 3.595 -1.193 15.223 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.207 -2.203 14.916 1.00 0.00 O ATOM 1192 OE2 GLU A 75 3.791 -0.561 16.249 1.00 0.00 O ATOM 0 H GLU A 75 0.220 -1.690 13.596 1.00 0.00 H new ATOM 0 HA GLU A 75 1.605 0.061 11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.324 -2.577 13.230 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.518 -1.502 12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.691 0.360 14.020 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.536 -0.745 14.739 1.00 0.00 H new ATOM 1199 N ILE A 76 1.364 -2.999 10.635 1.00 0.00 N ATOM 1200 CA ILE A 76 1.459 -3.742 9.346 1.00 0.00 C ATOM 1201 C ILE A 76 0.412 -3.215 8.363 1.00 0.00 C ATOM 1202 O ILE A 76 0.647 -3.132 7.172 1.00 0.00 O ATOM 1203 CB ILE A 76 1.176 -5.199 9.712 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.168 -5.653 10.784 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.329 -6.080 8.470 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.585 -5.249 10.370 1.00 0.00 C ATOM 0 H ILE A 76 1.113 -3.564 11.446 1.00 0.00 H new ATOM 0 HA ILE A 76 2.431 -3.627 8.866 1.00 0.00 H new ATOM 0 HB ILE A 76 0.159 -5.287 10.093 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.915 -5.202 11.743 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.110 -6.734 10.915 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.127 -7.118 8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.624 -5.756 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.346 -5.994 8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.293 -5.572 11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.835 -5.721 9.420 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.637 -4.166 10.262 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.739 -2.845 8.854 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.798 -2.311 7.952 1.00 0.00 C ATOM 1220 C ALA A 77 -1.264 -1.098 7.186 1.00 0.00 C ATOM 1221 O ALA A 77 -1.574 -0.893 6.030 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.941 -1.902 8.881 1.00 0.00 C ATOM 0 H ALA A 77 -0.992 -2.889 9.841 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.122 -3.041 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.763 -1.497 8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.288 -2.773 9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.588 -1.143 9.580 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.459 -0.294 7.826 1.00 0.00 N ATOM 1229 CA GLU A 78 0.100 0.904 7.138 1.00 0.00 C ATOM 1230 C GLU A 78 0.959 0.475 5.945 1.00 0.00 C ATOM 1231 O GLU A 78 0.952 1.103 4.906 1.00 0.00 O ATOM 1232 CB GLU A 78 0.960 1.601 8.194 1.00 0.00 C ATOM 1233 CG GLU A 78 1.519 2.905 7.619 1.00 0.00 C ATOM 1234 CD GLU A 78 2.481 3.534 8.628 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.632 2.975 9.701 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.049 4.566 8.311 1.00 0.00 O ATOM 0 H GLU A 78 -0.165 -0.415 8.795 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.680 1.559 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.365 1.809 9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.776 0.948 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.037 2.709 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.705 3.595 7.396 1.00 0.00 H new ATOM 1243 N ASP A 79 1.702 -0.587 6.088 1.00 0.00 N ATOM 1244 CA ASP A 79 2.562 -1.051 4.963 1.00 0.00 C ATOM 1245 C ASP A 79 3.425 -2.235 5.414 1.00 0.00 C ATOM 1246 O ASP A 79 4.487 -2.050 5.974 1.00 0.00 O ATOM 1247 CB ASP A 79 3.440 0.151 4.613 1.00 0.00 C ATOM 1248 CG ASP A 79 2.947 0.779 3.308 1.00 0.00 C ATOM 1249 OD1 ASP A 79 2.680 0.035 2.380 1.00 0.00 O ATOM 1250 OD2 ASP A 79 2.843 1.994 3.261 1.00 0.00 O ATOM 0 H ASP A 79 1.751 -1.154 6.935 1.00 0.00 H new ATOM 0 HA ASP A 79 1.978 -1.390 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.407 0.885 5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.479 -0.162 4.509 1.00 0.00 H new ATOM 1255 N PRO A 80 2.932 -3.418 5.157 1.00 0.00 N ATOM 1256 CA PRO A 80 3.658 -4.652 5.541 1.00 0.00 C ATOM 1257 C PRO A 80 5.032 -4.705 4.865 1.00 0.00 C ATOM 1258 O PRO A 80 5.232 -5.411 3.897 1.00 0.00 O ATOM 1259 CB PRO A 80 2.737 -5.759 5.018 1.00 0.00 C ATOM 1260 CG PRO A 80 1.509 -5.108 4.351 1.00 0.00 C ATOM 1261 CD PRO A 80 1.631 -3.584 4.469 1.00 0.00 C ATOM 0 HA PRO A 80 3.857 -4.729 6.610 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.268 -6.385 4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.423 -6.407 5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.449 -5.402 3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.593 -5.451 4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.624 -3.100 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.810 -3.155 5.044 1.00 0.00 H new ATOM 1269 N GLY A 81 5.979 -3.962 5.369 1.00 0.00 N ATOM 1270 CA GLY A 81 7.339 -3.966 4.759 1.00 0.00 C ATOM 1271 C GLY A 81 7.744 -5.400 4.411 1.00 0.00 C ATOM 1272 O GLY A 81 7.739 -5.794 3.262 1.00 0.00 O ATOM 0 H GLY A 81 5.869 -3.351 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.347 -3.348 3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.060 -3.532 5.452 1.00 0.00 H new ATOM 1276 N THR A 82 8.099 -6.183 5.394 1.00 0.00 N ATOM 1277 CA THR A 82 8.509 -7.590 5.116 1.00 0.00 C ATOM 1278 C THR A 82 7.293 -8.431 4.714 1.00 0.00 C ATOM 1279 O THR A 82 7.260 -9.026 3.655 1.00 0.00 O ATOM 1280 CB THR A 82 9.101 -8.098 6.431 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.086 -8.133 7.424 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.225 -7.164 6.879 1.00 0.00 C ATOM 0 H THR A 82 8.123 -5.910 6.376 1.00 0.00 H new ATOM 0 HA THR A 82 9.223 -7.655 4.295 1.00 0.00 H new ATOM 0 HB THR A 82 9.501 -9.102 6.287 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.464 -8.460 8.267 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.647 -7.526 7.816 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.003 -7.139 6.116 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.827 -6.160 7.024 1.00 0.00 H new ATOM 1290 N CYS A 83 6.296 -8.489 5.553 1.00 0.00 N ATOM 1291 CA CYS A 83 5.085 -9.292 5.218 1.00 0.00 C ATOM 1292 C CYS A 83 4.748 -9.139 3.730 1.00 0.00 C ATOM 1293 O CYS A 83 4.563 -10.107 3.020 1.00 0.00 O ATOM 1294 CB CYS A 83 3.972 -8.706 6.092 1.00 0.00 C ATOM 1295 SG CYS A 83 2.502 -9.755 6.010 1.00 0.00 S ATOM 0 H CYS A 83 6.267 -8.015 6.456 1.00 0.00 H new ATOM 0 HA CYS A 83 5.225 -10.357 5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 83 4.314 -8.625 7.124 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.728 -7.698 5.757 1.00 0.00 H new ATOM 1300 N GLU A 84 4.669 -7.929 3.251 1.00 0.00 N ATOM 1301 CA GLU A 84 4.342 -7.716 1.811 1.00 0.00 C ATOM 1302 C GLU A 84 5.372 -8.408 0.913 1.00 0.00 C ATOM 1303 O GLU A 84 5.029 -9.032 -0.071 1.00 0.00 O ATOM 1304 CB GLU A 84 4.390 -6.201 1.614 1.00 0.00 C ATOM 1305 CG GLU A 84 3.833 -5.848 0.233 1.00 0.00 C ATOM 1306 CD GLU A 84 3.941 -4.338 0.008 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.455 -3.663 0.886 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.508 -3.882 -1.037 1.00 0.00 O ATOM 0 H GLU A 84 4.816 -7.078 3.793 1.00 0.00 H new ATOM 0 HA GLU A 84 3.370 -8.134 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.808 -5.704 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.416 -5.844 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.385 -6.382 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.793 -6.164 0.157 1.00 0.00 H new ATOM 1315 N ILE A 85 6.631 -8.302 1.238 1.00 0.00 N ATOM 1316 CA ILE A 85 7.673 -8.954 0.392 1.00 0.00 C ATOM 1317 C ILE A 85 7.932 -10.385 0.879 1.00 0.00 C ATOM 1318 O ILE A 85 8.937 -10.988 0.559 1.00 0.00 O ATOM 1319 CB ILE A 85 8.924 -8.089 0.557 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.435 -8.193 1.994 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.577 -6.631 0.246 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.520 -7.141 2.226 1.00 0.00 C ATOM 0 H ILE A 85 6.984 -7.794 2.049 1.00 0.00 H new ATOM 0 HA ILE A 85 7.370 -9.027 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 85 9.697 -8.437 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.614 -8.045 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.835 -9.190 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.467 -6.012 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.214 -6.554 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.803 -6.287 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.885 -7.214 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.345 -7.310 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.105 -6.147 2.059 1.00 0.00 H new ATOM 1334 N CYS A 86 7.026 -10.933 1.644 1.00 0.00 N ATOM 1335 CA CYS A 86 7.212 -12.326 2.148 1.00 0.00 C ATOM 1336 C CYS A 86 8.515 -12.440 2.944 1.00 0.00 C ATOM 1337 O CYS A 86 8.993 -13.523 3.216 1.00 0.00 O ATOM 1338 CB CYS A 86 7.279 -13.199 0.892 1.00 0.00 C ATOM 1339 SG CYS A 86 5.998 -12.681 -0.279 1.00 0.00 S ATOM 0 H CYS A 86 6.164 -10.476 1.942 1.00 0.00 H new ATOM 0 HA CYS A 86 6.405 -12.628 2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.263 -13.115 0.431 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.140 -14.247 1.158 1.00 0.00 H new ATOM 1344 N ALA A 87 9.090 -11.333 3.324 1.00 0.00 N ATOM 1345 CA ALA A 87 10.359 -11.388 4.104 1.00 0.00 C ATOM 1346 C ALA A 87 10.111 -12.028 5.472 1.00 0.00 C ATOM 1347 O ALA A 87 11.024 -12.488 6.127 1.00 0.00 O ATOM 1348 CB ALA A 87 10.787 -9.929 4.265 1.00 0.00 C ATOM 0 H ALA A 87 8.738 -10.396 3.129 1.00 0.00 H new ATOM 0 HA ALA A 87 11.124 -11.985 3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.717 -9.883 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.938 -9.484 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.011 -9.379 4.797 1.00 0.00 H new ATOM 1354 N TYR A 88 8.881 -12.061 5.908 1.00 0.00 N ATOM 1355 CA TYR A 88 8.579 -12.672 7.234 1.00 0.00 C ATOM 1356 C TYR A 88 7.342 -13.570 7.139 1.00 0.00 C ATOM 1357 O TYR A 88 6.596 -13.520 6.180 1.00 0.00 O ATOM 1358 CB TYR A 88 8.310 -11.488 8.162 1.00 0.00 C ATOM 1359 CG TYR A 88 9.562 -11.171 8.946 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.650 -10.563 8.310 1.00 0.00 C ATOM 1361 CD2 TYR A 88 9.633 -11.486 10.309 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.812 -10.271 9.036 1.00 0.00 C ATOM 1363 CE2 TYR A 88 10.795 -11.193 11.034 1.00 0.00 C ATOM 1364 CZ TYR A 88 11.883 -10.585 10.398 1.00 0.00 C ATOM 1365 OH TYR A 88 13.028 -10.297 11.114 1.00 0.00 O ATOM 0 H TYR A 88 8.074 -11.692 5.405 1.00 0.00 H new ATOM 0 HA TYR A 88 9.396 -13.298 7.594 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.002 -10.619 7.581 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.491 -11.723 8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.594 -10.319 7.259 1.00 0.00 H new ATOM 0 HD2 TYR A 88 8.793 -11.954 10.800 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.653 -9.804 8.545 1.00 0.00 H new ATOM 0 HE2 TYR A 88 10.851 -11.437 12.085 1.00 0.00 H new ATOM 0 HH TYR A 88 12.911 -10.578 12.045 1.00 0.00 H new ATOM 1375 N ALA A 89 7.124 -14.394 8.127 1.00 0.00 N ATOM 1376 CA ALA A 89 5.941 -15.301 8.099 1.00 0.00 C ATOM 1377 C ALA A 89 4.656 -14.519 8.393 1.00 0.00 C ATOM 1378 O ALA A 89 3.589 -15.086 8.521 1.00 0.00 O ATOM 1379 CB ALA A 89 6.207 -16.328 9.199 1.00 0.00 C ATOM 0 H ALA A 89 7.715 -14.479 8.954 1.00 0.00 H new ATOM 0 HA ALA A 89 5.806 -15.769 7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.379 -17.036 9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.131 -16.864 8.981 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.301 -15.818 10.158 1.00 0.00 H new ATOM 1385 N ALA A 90 4.748 -13.222 8.503 1.00 0.00 N ATOM 1386 CA ALA A 90 3.530 -12.411 8.791 1.00 0.00 C ATOM 1387 C ALA A 90 2.591 -12.410 7.582 1.00 0.00 C ATOM 1388 O ALA A 90 1.386 -12.333 7.721 1.00 0.00 O ATOM 1389 CB ALA A 90 4.050 -10.998 9.060 1.00 0.00 C ATOM 0 H ALA A 90 5.612 -12.689 8.406 1.00 0.00 H new ATOM 0 HA ALA A 90 2.963 -12.808 9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.211 -10.338 9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.731 -11.017 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.579 -10.631 8.180 1.00 0.00 H new ATOM 1395 N CYS A 91 3.131 -12.488 6.396 1.00 0.00 N ATOM 1396 CA CYS A 91 2.265 -12.483 5.182 1.00 0.00 C ATOM 1397 C CYS A 91 2.238 -13.865 4.528 1.00 0.00 C ATOM 1398 O CYS A 91 3.262 -14.418 4.178 1.00 0.00 O ATOM 1399 CB CYS A 91 2.910 -11.470 4.242 1.00 0.00 C ATOM 1400 SG CYS A 91 1.914 -9.960 4.206 1.00 0.00 S ATOM 0 H CYS A 91 4.133 -12.555 6.215 1.00 0.00 H new ATOM 0 HA CYS A 91 1.233 -12.229 5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.923 -11.242 4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.991 -11.889 3.239 1.00 0.00 H new ATOM 1405 N THR A 92 1.073 -14.423 4.356 1.00 0.00 N ATOM 1406 CA THR A 92 0.977 -15.767 3.719 1.00 0.00 C ATOM 1407 C THR A 92 0.336 -15.649 2.334 1.00 0.00 C ATOM 1408 O THR A 92 -0.273 -14.650 2.006 1.00 0.00 O ATOM 1409 CB THR A 92 0.088 -16.581 4.657 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.228 -16.047 4.636 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.650 -16.513 6.077 1.00 0.00 C ATOM 0 H THR A 92 0.182 -14.007 4.629 1.00 0.00 H new ATOM 0 HA THR A 92 1.953 -16.232 3.577 1.00 0.00 H new ATOM 0 HB THR A 92 0.063 -17.620 4.330 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.878 -16.780 4.600 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.016 -17.094 6.747 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.660 -16.922 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.675 -15.475 6.409 1.00 0.00 H new ATOM 1419 N GLY A 93 0.465 -16.661 1.521 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.138 -16.603 0.159 1.00 0.00 C ATOM 1421 C GLY A 93 0.912 -16.121 -0.844 1.00 0.00 C ATOM 1422 O GLY A 93 0.670 -16.062 -2.033 1.00 0.00 O ATOM 0 H GLY A 93 0.961 -17.525 1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.507 -17.587 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.994 -15.929 0.157 1.00 0.00 H new ATOM 1426 N CYS A 94 2.080 -15.775 -0.374 1.00 0.00 N ATOM 1427 CA CYS A 94 3.145 -15.297 -1.300 1.00 0.00 C ATOM 1428 C CYS A 94 3.716 -16.471 -2.100 1.00 0.00 C ATOM 1429 O CYS A 94 3.444 -17.602 -1.733 1.00 0.00 O ATOM 1430 CB CYS A 94 4.218 -14.696 -0.392 1.00 0.00 C ATOM 1431 SG CYS A 94 4.099 -12.889 -0.431 1.00 0.00 S ATOM 1432 OXT CYS A 94 4.417 -16.218 -3.066 1.00 0.00 O ATOM 0 H CYS A 94 2.342 -15.803 0.611 1.00 0.00 H new ATOM 0 HA CYS A 94 2.769 -14.573 -2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 94 4.090 -15.058 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.208 -15.013 -0.721 1.00 0.00 H new TER 1437 CYS A 94