USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 58 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Set 1.2: A 59 MET CE :methyl -175:sc= 0 (180deg=-0.0504) USER MOD Single : A 1 ASN : amide:sc= -0.0634 K(o=-0.063,f=-0.64) USER MOD Single : A 1 ASN N :NH3+ -132:sc= 0.08 (180deg=-0.113) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -120:sc= -0.14 USER MOD Single : A 12 GLN : amide:sc= -0.0708 X(o=-0.071,f=-0.085) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -1.13! C(o=-3.9!,f=-1.1!) USER MOD Single : A 24 GLN : amide:sc= -2.76 K(o=-2.8,f=-4.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= -0.0932 (180deg=-0.612) USER MOD Single : A 31 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 41 THR OG1 : rot 62:sc= 2.11 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 120:sc= -1.77 USER MOD Single : A 45 GLN : amide:sc= -4.95! C(o=-5!,f=-6!) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.05! C(o=-4!,f=-2.1!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0796 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.747 K(o=-0.75,f=-11!) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.33 F(o=-2,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.41) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.216 -4.594 -7.306 1.00 0.00 N ATOM 2 CA ASN A 1 -15.160 -5.082 -8.350 1.00 0.00 C ATOM 3 C ASN A 1 -14.534 -4.858 -9.730 1.00 0.00 C ATOM 4 O ASN A 1 -13.505 -4.188 -9.858 1.00 0.00 O ATOM 5 CB ASN A 1 -16.496 -4.311 -8.231 1.00 0.00 C ATOM 6 CG ASN A 1 -17.115 -4.516 -6.845 1.00 0.00 C ATOM 7 OD1 ASN A 1 -17.012 -5.604 -6.276 1.00 0.00 O ATOM 8 ND2 ASN A 1 -17.755 -3.532 -6.270 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.116 -5.316 -6.564 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.288 -4.409 -7.737 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.585 -3.716 -6.888 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.356 -6.146 -8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -16.326 -3.249 -8.406 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -17.189 -4.653 -8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -18.171 -3.664 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -17.839 -2.632 -6.743 1.00 0.00 H new ATOM 17 N THR A 2 -15.183 -5.417 -10.763 1.00 0.00 N ATOM 18 CA THR A 2 -14.717 -5.289 -12.154 1.00 0.00 C ATOM 19 C THR A 2 -14.677 -3.819 -12.582 1.00 0.00 C ATOM 20 O THR A 2 -13.977 -3.457 -13.530 1.00 0.00 O ATOM 21 CB THR A 2 -15.662 -6.080 -13.102 1.00 0.00 C ATOM 22 OG1 THR A 2 -15.277 -5.838 -14.448 1.00 0.00 O ATOM 23 CG2 THR A 2 -17.136 -5.647 -12.916 1.00 0.00 C ATOM 0 H THR A 2 -16.037 -5.965 -10.661 1.00 0.00 H new ATOM 0 HA THR A 2 -13.709 -5.698 -12.216 1.00 0.00 H new ATOM 0 HB THR A 2 -15.581 -7.140 -12.862 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.868 -6.335 -15.052 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.771 -6.218 -13.593 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.443 -5.833 -11.887 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.234 -4.584 -13.137 1.00 0.00 H new ATOM 31 N VAL A 3 -15.439 -2.976 -11.865 1.00 0.00 N ATOM 32 CA VAL A 3 -15.512 -1.531 -12.154 1.00 0.00 C ATOM 33 C VAL A 3 -14.127 -0.901 -11.974 1.00 0.00 C ATOM 34 O VAL A 3 -13.691 -0.091 -12.794 1.00 0.00 O ATOM 35 CB VAL A 3 -16.559 -0.843 -11.210 1.00 0.00 C ATOM 36 CG1 VAL A 3 -16.701 0.682 -11.536 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.942 -1.543 -11.369 1.00 0.00 C ATOM 0 H VAL A 3 -16.016 -3.271 -11.077 1.00 0.00 H new ATOM 0 HA VAL A 3 -15.834 -1.385 -13.185 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.209 -0.940 -10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.434 1.131 -10.865 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -15.737 1.174 -11.402 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -17.031 0.804 -12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -18.669 -1.065 -10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.276 -1.459 -12.403 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.850 -2.596 -11.102 1.00 0.00 H new ATOM 47 N ASP A 4 -13.440 -1.289 -10.891 1.00 0.00 N ATOM 48 CA ASP A 4 -12.098 -0.765 -10.588 1.00 0.00 C ATOM 49 C ASP A 4 -11.352 -1.738 -9.663 1.00 0.00 C ATOM 50 O ASP A 4 -11.907 -2.207 -8.666 1.00 0.00 O ATOM 51 CB ASP A 4 -12.232 0.626 -9.917 1.00 0.00 C ATOM 52 CG ASP A 4 -10.857 1.285 -9.705 1.00 0.00 C ATOM 53 OD1 ASP A 4 -10.187 1.532 -10.695 1.00 0.00 O ATOM 54 OD2 ASP A 4 -10.502 1.538 -8.564 1.00 0.00 O ATOM 0 H ASP A 4 -13.790 -1.963 -10.210 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.528 -0.662 -11.511 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.854 1.272 -10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.738 0.521 -8.957 1.00 0.00 H new ATOM 59 N ASP A 5 -10.086 -2.021 -9.999 1.00 0.00 N ATOM 60 CA ASP A 5 -9.241 -2.916 -9.204 1.00 0.00 C ATOM 61 C ASP A 5 -8.960 -2.272 -7.833 1.00 0.00 C ATOM 62 O ASP A 5 -8.750 -1.065 -7.740 1.00 0.00 O ATOM 63 CB ASP A 5 -7.913 -3.166 -9.969 1.00 0.00 C ATOM 64 CG ASP A 5 -7.178 -1.841 -10.228 1.00 0.00 C ATOM 65 OD1 ASP A 5 -7.835 -0.890 -10.622 1.00 0.00 O ATOM 66 OD2 ASP A 5 -5.973 -1.797 -10.031 1.00 0.00 O ATOM 0 H ASP A 5 -9.624 -1.638 -10.824 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.747 -3.868 -9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.275 -3.835 -9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -8.121 -3.663 -10.916 1.00 0.00 H new ATOM 71 N ILE A 6 -8.949 -3.089 -6.778 1.00 0.00 N ATOM 72 CA ILE A 6 -8.685 -2.604 -5.414 1.00 0.00 C ATOM 73 C ILE A 6 -7.237 -2.098 -5.299 1.00 0.00 C ATOM 74 O ILE A 6 -6.910 -1.313 -4.407 1.00 0.00 O ATOM 75 CB ILE A 6 -8.953 -3.771 -4.409 1.00 0.00 C ATOM 76 CG1 ILE A 6 -8.096 -5.032 -4.809 1.00 0.00 C ATOM 77 CG2 ILE A 6 -10.475 -4.130 -4.411 1.00 0.00 C ATOM 78 CD1 ILE A 6 -8.145 -6.117 -3.717 1.00 0.00 C ATOM 0 H ILE A 6 -9.120 -4.093 -6.838 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.345 -1.769 -5.180 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.665 -3.455 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.467 -5.442 -5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.062 -4.732 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.658 -4.944 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.055 -3.257 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.774 -4.440 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.543 -6.972 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.750 -5.713 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.177 -6.435 -3.566 1.00 0.00 H new ATOM 90 N SER A 7 -6.379 -2.559 -6.221 1.00 0.00 N ATOM 91 CA SER A 7 -4.963 -2.164 -6.248 1.00 0.00 C ATOM 92 C SER A 7 -4.823 -0.704 -6.698 1.00 0.00 C ATOM 93 O SER A 7 -3.706 -0.228 -6.918 1.00 0.00 O ATOM 94 CB SER A 7 -4.179 -3.094 -7.206 1.00 0.00 C ATOM 95 OG SER A 7 -4.286 -4.435 -6.742 1.00 0.00 O ATOM 0 H SER A 7 -6.643 -3.209 -6.961 1.00 0.00 H new ATOM 0 HA SER A 7 -4.552 -2.257 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.576 -3.013 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.132 -2.793 -7.250 1.00 0.00 H new ATOM 0 HG SER A 7 -3.793 -5.030 -7.345 1.00 0.00 H new ATOM 101 N GLU A 8 -5.962 0.012 -6.841 1.00 0.00 N ATOM 102 CA GLU A 8 -5.943 1.424 -7.276 1.00 0.00 C ATOM 103 C GLU A 8 -5.168 2.290 -6.269 1.00 0.00 C ATOM 104 O GLU A 8 -4.428 3.199 -6.655 1.00 0.00 O ATOM 105 CB GLU A 8 -7.400 1.962 -7.438 1.00 0.00 C ATOM 106 CG GLU A 8 -7.436 3.374 -8.113 1.00 0.00 C ATOM 107 CD GLU A 8 -6.919 3.324 -9.560 1.00 0.00 C ATOM 108 OE1 GLU A 8 -7.100 2.298 -10.200 1.00 0.00 O ATOM 109 OE2 GLU A 8 -6.338 4.305 -9.998 1.00 0.00 O ATOM 0 H GLU A 8 -6.895 -0.361 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.439 1.479 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.981 1.260 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.877 2.017 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.457 3.756 -8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.830 4.070 -7.533 1.00 0.00 H new ATOM 116 N SER A 9 -5.337 1.995 -4.971 1.00 0.00 N ATOM 117 CA SER A 9 -4.651 2.757 -3.915 1.00 0.00 C ATOM 118 C SER A 9 -3.129 2.728 -4.131 1.00 0.00 C ATOM 119 O SER A 9 -2.478 3.768 -4.156 1.00 0.00 O ATOM 120 CB SER A 9 -4.996 2.138 -2.549 1.00 0.00 C ATOM 121 OG SER A 9 -6.404 2.197 -2.353 1.00 0.00 O ATOM 0 H SER A 9 -5.936 1.243 -4.629 1.00 0.00 H new ATOM 0 HA SER A 9 -4.982 3.795 -3.948 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.654 1.104 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.483 2.676 -1.752 1.00 0.00 H new ATOM 0 HG SER A 9 -6.601 2.723 -1.550 1.00 0.00 H new ATOM 127 N LEU A 10 -2.580 1.523 -4.307 1.00 0.00 N ATOM 128 CA LEU A 10 -1.139 1.351 -4.541 1.00 0.00 C ATOM 129 C LEU A 10 -0.750 1.918 -5.910 1.00 0.00 C ATOM 130 O LEU A 10 0.362 2.414 -6.088 1.00 0.00 O ATOM 131 CB LEU A 10 -0.779 -0.160 -4.442 1.00 0.00 C ATOM 132 CG LEU A 10 -0.708 -0.635 -2.943 1.00 0.00 C ATOM 133 CD1 LEU A 10 0.443 0.095 -2.141 1.00 0.00 C ATOM 134 CD2 LEU A 10 -2.093 -0.443 -2.241 1.00 0.00 C ATOM 0 H LEU A 10 -3.109 0.651 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.579 1.898 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.524 -0.749 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.180 -0.340 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.465 -1.698 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.454 -0.264 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.404 -0.117 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.266 1.170 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.025 -0.777 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.370 0.611 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.850 -1.029 -2.762 1.00 0.00 H new ATOM 146 N ARG A 11 -1.665 1.825 -6.882 1.00 0.00 N ATOM 147 CA ARG A 11 -1.396 2.318 -8.238 1.00 0.00 C ATOM 148 C ARG A 11 -1.060 3.820 -8.208 1.00 0.00 C ATOM 149 O ARG A 11 -0.339 4.308 -9.079 1.00 0.00 O ATOM 150 CB ARG A 11 -2.624 2.048 -9.143 1.00 0.00 C ATOM 151 CG ARG A 11 -2.276 2.280 -10.638 1.00 0.00 C ATOM 152 CD ARG A 11 -3.502 2.029 -11.536 1.00 0.00 C ATOM 153 NE ARG A 11 -3.097 2.186 -12.937 1.00 0.00 N ATOM 154 CZ ARG A 11 -2.834 3.387 -13.486 1.00 0.00 C ATOM 155 NH1 ARG A 11 -2.944 4.494 -12.789 1.00 0.00 N ATOM 156 NH2 ARG A 11 -2.450 3.446 -14.729 1.00 0.00 N ATOM 0 H ARG A 11 -2.591 1.416 -6.757 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.535 1.789 -8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.967 1.023 -9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.446 2.702 -8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.921 3.301 -10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.463 1.617 -10.933 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.896 1.027 -11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.300 2.731 -11.292 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.011 1.352 -13.518 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.234 4.455 -11.812 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.740 5.393 -13.225 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.352 2.589 -15.274 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.247 4.349 -15.158 1.00 0.00 H new ATOM 170 N GLN A 12 -1.579 4.537 -7.181 1.00 0.00 N ATOM 171 CA GLN A 12 -1.317 5.988 -7.012 1.00 0.00 C ATOM 172 C GLN A 12 0.176 6.307 -7.257 1.00 0.00 C ATOM 173 O GLN A 12 0.549 6.706 -8.365 1.00 0.00 O ATOM 174 CB GLN A 12 -1.739 6.432 -5.572 1.00 0.00 C ATOM 175 CG GLN A 12 -3.289 6.336 -5.369 1.00 0.00 C ATOM 176 CD GLN A 12 -4.024 7.388 -6.218 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.744 8.580 -6.095 1.00 0.00 O ATOM 178 NE2 GLN A 12 -4.948 7.019 -7.068 1.00 0.00 N ATOM 0 H GLN A 12 -2.179 4.136 -6.460 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.905 6.540 -7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.236 5.806 -4.836 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.411 7.457 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.634 5.339 -5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.531 6.480 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.181 6.031 -7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.435 7.719 -7.628 1.00 0.00 H new ATOM 187 N GLY A 13 1.021 6.118 -6.235 1.00 0.00 N ATOM 188 CA GLY A 13 2.462 6.380 -6.374 1.00 0.00 C ATOM 189 C GLY A 13 2.714 7.847 -6.688 1.00 0.00 C ATOM 190 O GLY A 13 3.790 8.218 -7.164 1.00 0.00 O ATOM 0 H GLY A 13 0.737 5.788 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.977 6.106 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.875 5.757 -7.167 1.00 0.00 H new ATOM 194 N GLY A 14 1.705 8.685 -6.410 1.00 0.00 N ATOM 195 CA GLY A 14 1.793 10.137 -6.654 1.00 0.00 C ATOM 196 C GLY A 14 3.028 10.756 -5.979 1.00 0.00 C ATOM 197 O GLY A 14 3.360 11.920 -6.214 1.00 0.00 O ATOM 0 H GLY A 14 0.814 8.383 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.834 10.323 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.892 10.624 -6.280 1.00 0.00 H new ATOM 201 N GLY A 15 3.710 9.941 -5.152 1.00 0.00 N ATOM 202 CA GLY A 15 4.933 10.328 -4.425 1.00 0.00 C ATOM 203 C GLY A 15 4.634 10.528 -2.953 1.00 0.00 C ATOM 204 O GLY A 15 5.014 9.716 -2.106 1.00 0.00 O ATOM 0 H GLY A 15 3.422 8.980 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.694 9.557 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.339 11.247 -4.848 1.00 0.00 H new ATOM 208 N LYS A 16 3.939 11.621 -2.655 1.00 0.00 N ATOM 209 CA LYS A 16 3.566 11.956 -1.284 1.00 0.00 C ATOM 210 C LYS A 16 2.437 11.049 -0.828 1.00 0.00 C ATOM 211 O LYS A 16 1.305 11.187 -1.294 1.00 0.00 O ATOM 212 CB LYS A 16 3.087 13.426 -1.221 1.00 0.00 C ATOM 213 CG LYS A 16 4.247 14.387 -1.592 1.00 0.00 C ATOM 214 CD LYS A 16 3.774 15.874 -1.615 1.00 0.00 C ATOM 215 CE LYS A 16 3.283 16.369 -0.225 1.00 0.00 C ATOM 216 NZ LYS A 16 3.202 17.858 -0.253 1.00 0.00 N ATOM 0 H LYS A 16 3.620 12.295 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 16 4.431 11.822 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.251 13.573 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.723 13.654 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.059 14.274 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.647 14.116 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.595 16.507 -1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.968 15.983 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.308 15.941 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.968 16.042 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.875 18.205 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.142 18.253 -0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.533 18.155 -0.992 1.00 0.00 H new ATOM 230 N LEU A 17 2.744 10.124 0.082 1.00 0.00 N ATOM 231 CA LEU A 17 1.745 9.204 0.607 1.00 0.00 C ATOM 232 C LEU A 17 2.167 8.830 2.020 1.00 0.00 C ATOM 233 O LEU A 17 3.328 8.538 2.259 1.00 0.00 O ATOM 234 CB LEU A 17 1.649 7.942 -0.313 1.00 0.00 C ATOM 235 CG LEU A 17 0.281 7.154 -0.137 1.00 0.00 C ATOM 236 CD1 LEU A 17 -0.867 7.815 -0.955 1.00 0.00 C ATOM 237 CD2 LEU A 17 0.459 5.651 -0.567 1.00 0.00 C ATOM 0 H LEU A 17 3.679 9.995 0.469 1.00 0.00 H new ATOM 0 HA LEU A 17 0.757 9.664 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.755 8.248 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.480 7.272 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 17 0.006 7.194 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.788 7.250 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.013 8.840 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.605 7.818 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.486 5.122 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.764 5.605 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.222 5.183 0.055 1.00 0.00 H new ATOM 249 N ASN A 18 1.204 8.842 2.930 1.00 0.00 N ATOM 250 CA ASN A 18 1.406 8.517 4.332 1.00 0.00 C ATOM 251 C ASN A 18 0.271 7.602 4.779 1.00 0.00 C ATOM 252 O ASN A 18 -0.839 7.702 4.247 1.00 0.00 O ATOM 253 CB ASN A 18 1.345 9.841 5.141 1.00 0.00 C ATOM 254 CG ASN A 18 1.302 9.574 6.651 1.00 0.00 C ATOM 255 OD1 ASN A 18 0.154 9.631 7.264 1.00 0.00 O flip ATOM 256 ND2 ASN A 18 2.326 9.293 7.272 1.00 0.00 N flip ATOM 0 H ASN A 18 0.238 9.084 2.708 1.00 0.00 H new ATOM 0 HA ASN A 18 2.365 8.022 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.214 10.455 4.903 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.463 10.409 4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.222 9.250 6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.279 9.103 8.273 1.00 0.00 H new ATOM 263 N PHE A 19 0.589 6.663 5.696 1.00 0.00 N ATOM 264 CA PHE A 19 -0.369 5.668 6.235 1.00 0.00 C ATOM 265 C PHE A 19 -1.807 6.219 6.304 1.00 0.00 C ATOM 266 O PHE A 19 -2.737 5.486 6.120 1.00 0.00 O ATOM 267 CB PHE A 19 0.093 5.213 7.656 1.00 0.00 C ATOM 268 CG PHE A 19 0.102 6.423 8.616 1.00 0.00 C ATOM 269 CD1 PHE A 19 -1.093 6.825 9.256 1.00 0.00 C ATOM 270 CD2 PHE A 19 1.288 7.163 8.841 1.00 0.00 C ATOM 271 CE1 PHE A 19 -1.102 7.947 10.098 1.00 0.00 C ATOM 272 CE2 PHE A 19 1.271 8.280 9.692 1.00 0.00 C ATOM 273 CZ PHE A 19 0.078 8.672 10.316 1.00 0.00 C ATOM 0 H PHE A 19 1.526 6.572 6.088 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.379 4.818 5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.576 4.441 8.036 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.089 4.773 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.003 6.266 9.096 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.207 6.868 8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.019 8.253 10.579 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.179 8.838 9.866 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.068 9.534 10.966 1.00 0.00 H new ATOM 283 N ASP A 20 -1.939 7.530 6.544 1.00 0.00 N ATOM 284 CA ASP A 20 -3.260 8.195 6.615 1.00 0.00 C ATOM 285 C ASP A 20 -3.916 8.330 5.220 1.00 0.00 C ATOM 286 O ASP A 20 -5.097 8.098 5.052 1.00 0.00 O ATOM 287 CB ASP A 20 -3.041 9.601 7.246 1.00 0.00 C ATOM 288 CG ASP A 20 -4.369 10.263 7.638 1.00 0.00 C ATOM 289 OD1 ASP A 20 -5.140 9.613 8.322 1.00 0.00 O ATOM 290 OD2 ASP A 20 -4.582 11.407 7.263 1.00 0.00 O ATOM 0 H ASP A 20 -1.149 8.158 6.693 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.937 7.593 7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.407 9.509 8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.512 10.239 6.538 1.00 0.00 H new ATOM 295 N GLU A 21 -3.127 8.762 4.239 1.00 0.00 N ATOM 296 CA GLU A 21 -3.630 9.007 2.862 1.00 0.00 C ATOM 297 C GLU A 21 -4.224 7.741 2.237 1.00 0.00 C ATOM 298 O GLU A 21 -5.326 7.751 1.697 1.00 0.00 O ATOM 299 CB GLU A 21 -2.468 9.534 1.964 1.00 0.00 C ATOM 300 CG GLU A 21 -1.916 10.894 2.485 1.00 0.00 C ATOM 301 CD GLU A 21 -2.974 12.009 2.380 1.00 0.00 C ATOM 302 OE1 GLU A 21 -3.533 12.165 1.306 1.00 0.00 O ATOM 303 OE2 GLU A 21 -3.198 12.690 3.369 1.00 0.00 O ATOM 0 H GLU A 21 -2.132 8.954 4.359 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.423 9.752 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.664 8.799 1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.823 9.652 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.601 10.787 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.033 11.174 1.911 1.00 0.00 H new ATOM 310 N LEU A 22 -3.480 6.665 2.368 1.00 0.00 N ATOM 311 CA LEU A 22 -3.922 5.354 1.863 1.00 0.00 C ATOM 312 C LEU A 22 -4.991 4.711 2.776 1.00 0.00 C ATOM 313 O LEU A 22 -5.963 4.165 2.289 1.00 0.00 O ATOM 314 CB LEU A 22 -2.692 4.431 1.703 1.00 0.00 C ATOM 315 CG LEU A 22 -1.864 4.272 3.060 1.00 0.00 C ATOM 316 CD1 LEU A 22 -2.248 2.959 3.806 1.00 0.00 C ATOM 317 CD2 LEU A 22 -0.314 4.312 2.755 1.00 0.00 C ATOM 0 H LEU A 22 -2.564 6.657 2.817 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.395 5.498 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.021 3.448 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.039 4.833 0.928 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.115 5.106 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.668 2.880 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.311 2.976 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.035 2.102 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.243 4.203 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.055 3.497 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.059 5.264 2.289 1.00 0.00 H new ATOM 329 N ARG A 23 -4.759 4.709 4.104 1.00 0.00 N ATOM 330 CA ARG A 23 -5.687 4.024 5.041 1.00 0.00 C ATOM 331 C ARG A 23 -7.083 4.619 4.960 1.00 0.00 C ATOM 332 O ARG A 23 -8.077 3.894 4.856 1.00 0.00 O ATOM 333 CB ARG A 23 -5.136 4.120 6.490 1.00 0.00 C ATOM 334 CG ARG A 23 -6.060 3.411 7.574 1.00 0.00 C ATOM 335 CD ARG A 23 -6.392 4.373 8.735 1.00 0.00 C ATOM 336 NE ARG A 23 -5.151 4.786 9.404 1.00 0.00 N ATOM 337 CZ ARG A 23 -4.421 3.953 10.171 1.00 0.00 C ATOM 338 NH1 ARG A 23 -4.786 2.709 10.367 1.00 0.00 N ATOM 339 NH2 ARG A 23 -3.322 4.388 10.716 1.00 0.00 N ATOM 0 H ARG A 23 -3.960 5.160 4.549 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.757 2.974 4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.143 3.671 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.020 5.171 6.756 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.983 3.071 7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.556 2.526 7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.921 5.247 8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.056 3.883 9.448 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.828 5.746 9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.639 2.354 9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.217 2.097 10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.022 5.350 10.560 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.761 3.767 11.299 1.00 0.00 H new ATOM 353 N GLN A 24 -7.156 5.937 5.045 1.00 0.00 N ATOM 354 CA GLN A 24 -8.429 6.655 5.012 1.00 0.00 C ATOM 355 C GLN A 24 -9.209 6.382 3.746 1.00 0.00 C ATOM 356 O GLN A 24 -10.435 6.270 3.777 1.00 0.00 O ATOM 357 CB GLN A 24 -8.165 8.165 5.126 1.00 0.00 C ATOM 358 CG GLN A 24 -7.599 8.487 6.524 1.00 0.00 C ATOM 359 CD GLN A 24 -7.333 9.992 6.638 1.00 0.00 C ATOM 360 OE1 GLN A 24 -6.534 10.546 5.881 1.00 0.00 O ATOM 361 NE2 GLN A 24 -7.982 10.684 7.524 1.00 0.00 N ATOM 0 H GLN A 24 -6.340 6.542 5.139 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.027 6.302 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.461 8.480 4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.089 8.719 4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.304 8.173 7.294 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.676 7.931 6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.642 10.221 8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.831 11.690 7.595 1.00 0.00 H new ATOM 370 N ASP A 25 -8.497 6.211 2.641 1.00 0.00 N ATOM 371 CA ASP A 25 -9.095 5.878 1.365 1.00 0.00 C ATOM 372 C ASP A 25 -9.616 4.431 1.380 1.00 0.00 C ATOM 373 O ASP A 25 -10.737 4.157 0.961 1.00 0.00 O ATOM 374 CB ASP A 25 -7.999 6.063 0.278 1.00 0.00 C ATOM 375 CG ASP A 25 -7.630 7.549 0.112 1.00 0.00 C ATOM 376 OD1 ASP A 25 -7.697 8.275 1.094 1.00 0.00 O ATOM 377 OD2 ASP A 25 -7.282 7.934 -0.992 1.00 0.00 O ATOM 0 H ASP A 25 -7.481 6.301 2.609 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.947 6.525 1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.111 5.493 0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.354 5.665 -0.672 1.00 0.00 H new ATOM 382 N LEU A 26 -8.743 3.511 1.853 1.00 0.00 N ATOM 383 CA LEU A 26 -9.048 2.040 1.876 1.00 0.00 C ATOM 384 C LEU A 26 -10.256 1.726 2.754 1.00 0.00 C ATOM 385 O LEU A 26 -11.012 0.783 2.477 1.00 0.00 O ATOM 386 CB LEU A 26 -7.824 1.199 2.335 1.00 0.00 C ATOM 387 CG LEU A 26 -6.617 1.264 1.309 1.00 0.00 C ATOM 388 CD1 LEU A 26 -5.315 0.758 2.001 1.00 0.00 C ATOM 389 CD2 LEU A 26 -6.880 0.389 0.039 1.00 0.00 C ATOM 0 H LEU A 26 -7.823 3.748 2.225 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.287 1.761 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.488 1.556 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.130 0.161 2.465 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.511 2.303 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.486 0.803 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.092 1.388 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.455 -0.271 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.028 0.463 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.019 -0.651 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.777 0.744 -0.468 1.00 0.00 H new ATOM 401 N LYS A 27 -10.438 2.518 3.796 1.00 0.00 N ATOM 402 CA LYS A 27 -11.579 2.338 4.692 1.00 0.00 C ATOM 403 C LYS A 27 -12.896 2.377 3.871 1.00 0.00 C ATOM 404 O LYS A 27 -13.776 1.534 4.042 1.00 0.00 O ATOM 405 CB LYS A 27 -11.529 3.458 5.743 1.00 0.00 C ATOM 406 CG LYS A 27 -12.675 3.308 6.785 1.00 0.00 C ATOM 407 CD LYS A 27 -12.496 4.310 7.967 1.00 0.00 C ATOM 408 CE LYS A 27 -12.463 5.791 7.491 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.716 6.662 8.677 1.00 0.00 N ATOM 0 H LYS A 27 -9.818 3.288 4.046 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.540 1.372 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.566 3.438 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.608 4.427 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.636 3.481 6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.690 2.288 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.312 4.178 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.571 4.081 8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.497 6.026 7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.219 5.962 6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.699 7.660 8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.647 6.436 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.979 6.498 9.392 1.00 0.00 H new ATOM 423 N GLY A 28 -12.989 3.359 2.961 1.00 0.00 N ATOM 424 CA GLY A 28 -14.170 3.517 2.099 1.00 0.00 C ATOM 425 C GLY A 28 -14.385 2.291 1.199 1.00 0.00 C ATOM 426 O GLY A 28 -15.518 1.929 0.887 1.00 0.00 O ATOM 0 H GLY A 28 -12.260 4.055 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.054 3.674 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.052 4.407 1.480 1.00 0.00 H new ATOM 430 N LYS A 29 -13.278 1.673 0.764 1.00 0.00 N ATOM 431 CA LYS A 29 -13.311 0.497 -0.130 1.00 0.00 C ATOM 432 C LYS A 29 -13.829 -0.752 0.604 1.00 0.00 C ATOM 433 O LYS A 29 -13.952 -1.829 0.014 1.00 0.00 O ATOM 434 CB LYS A 29 -11.875 0.242 -0.674 1.00 0.00 C ATOM 435 CG LYS A 29 -11.233 1.521 -1.294 1.00 0.00 C ATOM 436 CD LYS A 29 -11.993 2.003 -2.564 1.00 0.00 C ATOM 437 CE LYS A 29 -11.280 3.228 -3.181 1.00 0.00 C ATOM 438 NZ LYS A 29 -9.921 2.816 -3.615 1.00 0.00 N ATOM 0 H LYS A 29 -12.336 1.969 1.018 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.995 0.699 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.243 -0.121 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.910 -0.544 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.227 2.319 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.194 1.316 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.043 1.196 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.020 2.263 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.849 3.609 -4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.216 4.035 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.574 3.475 -4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.277 2.829 -2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.959 1.855 -4.010 1.00 0.00 H new ATOM 452 N GLY A 30 -14.175 -0.567 1.866 1.00 0.00 N ATOM 453 CA GLY A 30 -14.742 -1.639 2.692 1.00 0.00 C ATOM 454 C GLY A 30 -13.685 -2.663 3.048 1.00 0.00 C ATOM 455 O GLY A 30 -14.019 -3.791 3.419 1.00 0.00 O ATOM 0 H GLY A 30 -14.075 0.324 2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.166 -1.216 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.558 -2.124 2.156 1.00 0.00 H new ATOM 459 N HIS A 31 -12.393 -2.283 2.946 1.00 0.00 N ATOM 460 CA HIS A 31 -11.290 -3.198 3.276 1.00 0.00 C ATOM 461 C HIS A 31 -11.294 -3.493 4.770 1.00 0.00 C ATOM 462 O HIS A 31 -11.962 -2.810 5.549 1.00 0.00 O ATOM 463 CB HIS A 31 -9.937 -2.587 2.809 1.00 0.00 C ATOM 464 CG HIS A 31 -9.836 -2.672 1.313 1.00 0.00 C ATOM 465 ND1 HIS A 31 -10.953 -2.640 0.509 1.00 0.00 N ATOM 466 CD2 HIS A 31 -8.767 -2.853 0.474 1.00 0.00 C ATOM 467 CE1 HIS A 31 -10.547 -2.801 -0.751 1.00 0.00 C ATOM 468 NE2 HIS A 31 -9.217 -2.929 -0.834 1.00 0.00 N ATOM 0 H HIS A 31 -12.095 -1.357 2.640 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.424 -4.143 2.750 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.866 -1.548 3.130 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.106 -3.121 3.271 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -11.916 -2.516 0.820 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.735 -2.925 0.784 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.211 -2.825 -1.602 1.00 0.00 H new ATOM 476 N THR A 32 -10.587 -4.571 5.141 1.00 0.00 N ATOM 477 CA THR A 32 -10.540 -5.039 6.536 1.00 0.00 C ATOM 478 C THR A 32 -9.318 -4.474 7.213 1.00 0.00 C ATOM 479 O THR A 32 -8.384 -4.047 6.552 1.00 0.00 O ATOM 480 CB THR A 32 -10.525 -6.584 6.567 1.00 0.00 C ATOM 481 OG1 THR A 32 -9.319 -7.039 5.994 1.00 0.00 O ATOM 482 CG2 THR A 32 -11.718 -7.152 5.761 1.00 0.00 C ATOM 0 H THR A 32 -10.039 -5.137 4.493 1.00 0.00 H new ATOM 0 HA THR A 32 -11.424 -4.695 7.072 1.00 0.00 H new ATOM 0 HB THR A 32 -10.606 -6.922 7.600 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.298 -8.019 6.010 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.693 -8.241 5.793 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.653 -6.798 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.650 -6.818 4.726 1.00 0.00 H new ATOM 490 N ASP A 33 -9.321 -4.490 8.544 1.00 0.00 N ATOM 491 CA ASP A 33 -8.197 -3.968 9.327 1.00 0.00 C ATOM 492 C ASP A 33 -6.923 -4.744 8.989 1.00 0.00 C ATOM 493 O ASP A 33 -5.858 -4.147 8.853 1.00 0.00 O ATOM 494 CB ASP A 33 -8.525 -4.085 10.829 1.00 0.00 C ATOM 495 CG ASP A 33 -9.764 -3.247 11.173 1.00 0.00 C ATOM 496 OD1 ASP A 33 -9.860 -2.136 10.677 1.00 0.00 O ATOM 497 OD2 ASP A 33 -10.600 -3.730 11.923 1.00 0.00 O ATOM 0 H ASP A 33 -10.089 -4.858 9.106 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.033 -2.919 9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.700 -5.129 11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.674 -3.748 11.421 1.00 0.00 H new ATOM 502 N ALA A 34 -7.051 -6.085 8.869 1.00 0.00 N ATOM 503 CA ALA A 34 -5.885 -6.926 8.551 1.00 0.00 C ATOM 504 C ALA A 34 -5.267 -6.480 7.219 1.00 0.00 C ATOM 505 O ALA A 34 -4.047 -6.386 7.109 1.00 0.00 O ATOM 506 CB ALA A 34 -6.318 -8.409 8.469 1.00 0.00 C ATOM 0 H ALA A 34 -7.928 -6.593 8.985 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.138 -6.818 9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.452 -9.028 8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.736 -8.719 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.071 -8.526 7.689 1.00 0.00 H new ATOM 512 N GLU A 35 -6.088 -6.270 6.174 1.00 0.00 N ATOM 513 CA GLU A 35 -5.548 -5.891 4.857 1.00 0.00 C ATOM 514 C GLU A 35 -4.964 -4.478 4.914 1.00 0.00 C ATOM 515 O GLU A 35 -3.867 -4.223 4.411 1.00 0.00 O ATOM 516 CB GLU A 35 -6.700 -5.937 3.812 1.00 0.00 C ATOM 517 CG GLU A 35 -7.201 -7.395 3.600 1.00 0.00 C ATOM 518 CD GLU A 35 -8.381 -7.460 2.614 1.00 0.00 C ATOM 519 OE1 GLU A 35 -8.716 -6.438 2.027 1.00 0.00 O ATOM 520 OE2 GLU A 35 -8.936 -8.535 2.469 1.00 0.00 O ATOM 0 H GLU A 35 -7.104 -6.354 6.213 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.757 -6.585 4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.526 -5.310 4.148 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.353 -5.526 2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.382 -8.009 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.505 -7.817 4.558 1.00 0.00 H new ATOM 527 N ILE A 36 -5.746 -3.560 5.495 1.00 0.00 N ATOM 528 CA ILE A 36 -5.336 -2.144 5.557 1.00 0.00 C ATOM 529 C ILE A 36 -3.980 -1.999 6.285 1.00 0.00 C ATOM 530 O ILE A 36 -3.062 -1.335 5.780 1.00 0.00 O ATOM 531 CB ILE A 36 -6.431 -1.315 6.316 1.00 0.00 C ATOM 532 CG1 ILE A 36 -7.762 -1.292 5.474 1.00 0.00 C ATOM 533 CG2 ILE A 36 -5.963 0.162 6.600 1.00 0.00 C ATOM 534 CD1 ILE A 36 -8.969 -0.841 6.314 1.00 0.00 C ATOM 0 H ILE A 36 -6.650 -3.762 5.922 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.226 -1.768 4.540 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.603 -1.801 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.641 -0.621 4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.953 -2.286 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.752 0.699 7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.062 0.147 7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.750 0.664 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.865 -0.840 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.108 -1.527 7.150 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.791 0.164 6.696 1.00 0.00 H new ATOM 546 N GLU A 37 -3.883 -2.601 7.491 1.00 0.00 N ATOM 547 CA GLU A 37 -2.686 -2.507 8.316 1.00 0.00 C ATOM 548 C GLU A 37 -1.494 -3.161 7.640 1.00 0.00 C ATOM 549 O GLU A 37 -0.386 -2.654 7.687 1.00 0.00 O ATOM 550 CB GLU A 37 -2.920 -3.146 9.717 1.00 0.00 C ATOM 551 CG GLU A 37 -2.936 -4.709 9.700 1.00 0.00 C ATOM 552 CD GLU A 37 -3.456 -5.287 11.031 1.00 0.00 C ATOM 553 OE1 GLU A 37 -4.552 -4.917 11.423 1.00 0.00 O ATOM 554 OE2 GLU A 37 -2.762 -6.100 11.625 1.00 0.00 O ATOM 0 H GLU A 37 -4.631 -3.157 7.905 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.467 -1.447 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.138 -2.807 10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.868 -2.786 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.565 -5.058 8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.929 -5.081 9.510 1.00 0.00 H new ATOM 561 N ALA A 38 -1.751 -4.327 7.035 1.00 0.00 N ATOM 562 CA ALA A 38 -0.705 -5.095 6.369 1.00 0.00 C ATOM 563 C ALA A 38 -0.153 -4.334 5.156 1.00 0.00 C ATOM 564 O ALA A 38 1.051 -4.341 4.926 1.00 0.00 O ATOM 565 CB ALA A 38 -1.317 -6.435 5.895 1.00 0.00 C ATOM 0 H ALA A 38 -2.676 -4.755 6.996 1.00 0.00 H new ATOM 0 HA ALA A 38 0.115 -5.265 7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.552 -7.027 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.696 -6.986 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.135 -6.237 5.202 1.00 0.00 H new ATOM 571 N ILE A 39 -1.054 -3.776 4.329 1.00 0.00 N ATOM 572 CA ILE A 39 -0.620 -3.122 3.042 1.00 0.00 C ATOM 573 C ILE A 39 0.305 -1.952 3.312 1.00 0.00 C ATOM 574 O ILE A 39 1.343 -1.810 2.682 1.00 0.00 O ATOM 575 CB ILE A 39 -1.908 -2.595 2.206 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.348 -3.619 1.077 1.00 0.00 C ATOM 577 CG2 ILE A 39 -1.703 -1.174 1.513 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.921 -4.920 1.677 1.00 0.00 C ATOM 0 H ILE A 39 -2.059 -3.754 4.503 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.087 -3.872 2.457 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.684 -2.500 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.097 -3.154 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.491 -3.856 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.610 -0.897 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.490 -0.425 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.869 -1.227 0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.211 -5.595 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.164 -5.399 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.794 -4.686 2.286 1.00 0.00 H new ATOM 590 N PHE A 40 -0.082 -1.096 4.250 1.00 0.00 N ATOM 591 CA PHE A 40 0.741 0.075 4.576 1.00 0.00 C ATOM 592 C PHE A 40 2.037 -0.355 5.231 1.00 0.00 C ATOM 593 O PHE A 40 3.081 0.196 4.988 1.00 0.00 O ATOM 594 CB PHE A 40 -0.050 1.127 5.414 1.00 0.00 C ATOM 595 CG PHE A 40 0.323 1.056 6.893 1.00 0.00 C ATOM 596 CD1 PHE A 40 -0.347 0.158 7.711 1.00 0.00 C ATOM 597 CD2 PHE A 40 1.372 1.831 7.413 1.00 0.00 C ATOM 598 CE1 PHE A 40 -0.001 0.013 9.048 1.00 0.00 C ATOM 599 CE2 PHE A 40 1.741 1.687 8.746 1.00 0.00 C ATOM 600 CZ PHE A 40 1.056 0.775 9.572 1.00 0.00 C ATOM 0 H PHE A 40 -0.942 -1.182 4.792 1.00 0.00 H new ATOM 0 HA PHE A 40 1.004 0.581 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.156 2.127 5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.120 0.956 5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.150 -0.437 7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.890 2.536 6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.539 -0.679 9.679 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.553 2.275 9.148 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.343 0.662 10.607 1.00 0.00 H new ATOM 610 N THR A 41 1.912 -1.328 6.134 1.00 0.00 N ATOM 611 CA THR A 41 3.037 -1.802 6.925 1.00 0.00 C ATOM 612 C THR A 41 4.160 -2.312 6.030 1.00 0.00 C ATOM 613 O THR A 41 5.331 -1.995 6.245 1.00 0.00 O ATOM 614 CB THR A 41 2.514 -2.899 7.884 1.00 0.00 C ATOM 615 OG1 THR A 41 1.738 -2.279 8.903 1.00 0.00 O ATOM 616 CG2 THR A 41 3.650 -3.687 8.558 1.00 0.00 C ATOM 0 H THR A 41 1.032 -1.804 6.333 1.00 0.00 H new ATOM 0 HA THR A 41 3.463 -0.985 7.508 1.00 0.00 H new ATOM 0 HB THR A 41 1.925 -3.599 7.291 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.969 -1.825 8.498 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.226 -4.443 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.258 -4.173 7.795 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.272 -3.005 9.138 1.00 0.00 H new ATOM 624 N LYS A 42 3.787 -3.097 5.028 1.00 0.00 N ATOM 625 CA LYS A 42 4.770 -3.650 4.094 1.00 0.00 C ATOM 626 C LYS A 42 5.391 -2.526 3.258 1.00 0.00 C ATOM 627 O LYS A 42 6.614 -2.477 3.092 1.00 0.00 O ATOM 628 CB LYS A 42 4.030 -4.666 3.188 1.00 0.00 C ATOM 629 CG LYS A 42 3.671 -5.954 3.990 1.00 0.00 C ATOM 630 CD LYS A 42 2.902 -6.960 3.094 1.00 0.00 C ATOM 631 CE LYS A 42 2.564 -8.242 3.884 1.00 0.00 C ATOM 632 NZ LYS A 42 1.855 -9.190 2.982 1.00 0.00 N ATOM 0 H LYS A 42 2.821 -3.366 4.838 1.00 0.00 H new ATOM 0 HA LYS A 42 5.579 -4.146 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.122 -4.213 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.657 -4.925 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.582 -6.419 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.063 -5.692 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.985 -6.500 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.504 -7.212 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.475 -8.699 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.939 -8.001 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.622 -10.058 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.979 -8.750 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.468 -9.425 2.175 1.00 0.00 H new ATOM 646 N TYR A 43 4.539 -1.665 2.685 1.00 0.00 N ATOM 647 CA TYR A 43 5.039 -0.583 1.817 1.00 0.00 C ATOM 648 C TYR A 43 5.742 0.485 2.630 1.00 0.00 C ATOM 649 O TYR A 43 6.662 1.135 2.129 1.00 0.00 O ATOM 650 CB TYR A 43 3.875 0.055 1.006 1.00 0.00 C ATOM 651 CG TYR A 43 3.510 -0.799 -0.220 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.950 -2.075 -0.040 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.726 -0.314 -1.535 1.00 0.00 C ATOM 654 CE1 TYR A 43 2.603 -2.843 -1.148 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.372 -1.096 -2.630 1.00 0.00 C ATOM 656 CZ TYR A 43 2.811 -2.350 -2.432 1.00 0.00 C ATOM 657 OH TYR A 43 2.437 -3.092 -3.507 1.00 0.00 O ATOM 0 H TYR A 43 3.526 -1.691 2.800 1.00 0.00 H new ATOM 0 HA TYR A 43 5.756 -1.021 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.001 0.166 1.647 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.161 1.056 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.789 -2.459 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.165 0.661 -1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.171 -3.823 -1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.533 -0.728 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 43 1.776 -2.596 -4.033 1.00 0.00 H new ATOM 667 N ASP A 44 5.303 0.684 3.870 1.00 0.00 N ATOM 668 CA ASP A 44 5.873 1.696 4.770 1.00 0.00 C ATOM 669 C ASP A 44 6.731 0.982 5.834 1.00 0.00 C ATOM 670 O ASP A 44 6.175 0.344 6.734 1.00 0.00 O ATOM 671 CB ASP A 44 4.707 2.470 5.471 1.00 0.00 C ATOM 672 CG ASP A 44 3.587 2.885 4.501 1.00 0.00 C ATOM 673 OD1 ASP A 44 3.354 2.187 3.526 1.00 0.00 O ATOM 674 OD2 ASP A 44 2.976 3.913 4.750 1.00 0.00 O ATOM 0 H ASP A 44 4.540 0.149 4.285 1.00 0.00 H new ATOM 0 HA ASP A 44 6.489 2.398 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.285 1.844 6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.109 3.361 5.954 1.00 0.00 H new ATOM 679 N GLN A 45 8.069 1.042 5.712 1.00 0.00 N ATOM 680 CA GLN A 45 8.936 0.322 6.667 1.00 0.00 C ATOM 681 C GLN A 45 8.756 0.858 8.105 1.00 0.00 C ATOM 682 O GLN A 45 8.473 0.068 9.012 1.00 0.00 O ATOM 683 CB GLN A 45 10.422 0.518 6.202 1.00 0.00 C ATOM 684 CG GLN A 45 10.797 -0.434 5.023 1.00 0.00 C ATOM 685 CD GLN A 45 9.846 -0.256 3.837 1.00 0.00 C ATOM 686 OE1 GLN A 45 10.201 0.369 2.837 1.00 0.00 O ATOM 687 NE2 GLN A 45 8.650 -0.776 3.893 1.00 0.00 N ATOM 0 H GLN A 45 8.563 1.563 4.987 1.00 0.00 H new ATOM 0 HA GLN A 45 8.668 -0.734 6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.572 1.553 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.092 0.335 7.042 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.820 -0.235 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.765 -1.469 5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.357 -1.293 4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.008 -0.665 3.108 1.00 0.00 H new ATOM 696 N ASP A 46 8.871 2.196 8.331 1.00 0.00 N ATOM 697 CA ASP A 46 8.677 2.796 9.669 1.00 0.00 C ATOM 698 C ASP A 46 7.342 3.569 9.742 1.00 0.00 C ATOM 699 O ASP A 46 7.006 4.110 10.792 1.00 0.00 O ATOM 700 CB ASP A 46 9.866 3.757 9.917 1.00 0.00 C ATOM 701 CG ASP A 46 11.192 2.978 9.812 1.00 0.00 C ATOM 702 OD1 ASP A 46 11.243 1.865 10.309 1.00 0.00 O ATOM 703 OD2 ASP A 46 12.129 3.505 9.229 1.00 0.00 O ATOM 0 H ASP A 46 9.097 2.873 7.602 1.00 0.00 H new ATOM 0 HA ASP A 46 8.639 2.016 10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.850 4.567 9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.778 4.214 10.903 1.00 0.00 H new ATOM 708 N GLY A 47 6.604 3.640 8.612 1.00 0.00 N ATOM 709 CA GLY A 47 5.317 4.392 8.551 1.00 0.00 C ATOM 710 C GLY A 47 5.394 5.742 9.264 1.00 0.00 C ATOM 711 O GLY A 47 4.442 6.156 9.925 1.00 0.00 O ATOM 0 H GLY A 47 6.868 3.193 7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.042 4.551 7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.527 3.791 9.002 1.00 0.00 H new ATOM 715 N ASP A 48 6.564 6.406 9.124 1.00 0.00 N ATOM 716 CA ASP A 48 6.853 7.722 9.762 1.00 0.00 C ATOM 717 C ASP A 48 7.089 8.832 8.722 1.00 0.00 C ATOM 718 O ASP A 48 7.019 10.017 9.055 1.00 0.00 O ATOM 719 CB ASP A 48 8.127 7.568 10.639 1.00 0.00 C ATOM 720 CG ASP A 48 8.402 8.845 11.454 1.00 0.00 C ATOM 721 OD1 ASP A 48 7.667 9.085 12.396 1.00 0.00 O ATOM 722 OD2 ASP A 48 9.331 9.563 11.114 1.00 0.00 O ATOM 0 H ASP A 48 7.339 6.048 8.566 1.00 0.00 H new ATOM 0 HA ASP A 48 5.989 8.011 10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.006 6.722 11.315 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.985 7.348 10.003 1.00 0.00 H new ATOM 727 N GLN A 49 7.412 8.438 7.479 1.00 0.00 N ATOM 728 CA GLN A 49 7.715 9.383 6.377 1.00 0.00 C ATOM 729 C GLN A 49 6.928 9.010 5.135 1.00 0.00 C ATOM 730 O GLN A 49 6.223 7.999 5.100 1.00 0.00 O ATOM 731 CB GLN A 49 9.248 9.384 6.057 1.00 0.00 C ATOM 732 CG GLN A 49 9.788 7.958 5.696 1.00 0.00 C ATOM 733 CD GLN A 49 9.753 7.009 6.907 1.00 0.00 C ATOM 734 OE1 GLN A 49 8.957 5.967 6.903 1.00 0.00 O flip ATOM 735 NE2 GLN A 49 10.479 7.217 7.877 1.00 0.00 N flip ATOM 0 H GLN A 49 7.472 7.458 7.204 1.00 0.00 H new ATOM 0 HA GLN A 49 7.425 10.384 6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.442 10.063 5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.795 9.769 6.918 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.190 7.537 4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.811 8.039 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.100 8.026 7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.460 6.580 8.674 1.00 0.00 H new ATOM 744 N GLU A 50 7.070 9.855 4.110 1.00 0.00 N ATOM 745 CA GLU A 50 6.412 9.681 2.824 1.00 0.00 C ATOM 746 C GLU A 50 7.126 8.592 2.030 1.00 0.00 C ATOM 747 O GLU A 50 8.333 8.385 2.185 1.00 0.00 O ATOM 748 CB GLU A 50 6.413 11.016 2.033 1.00 0.00 C ATOM 749 CG GLU A 50 5.638 12.112 2.815 1.00 0.00 C ATOM 750 CD GLU A 50 5.611 13.424 2.015 1.00 0.00 C ATOM 751 OE1 GLU A 50 6.638 13.770 1.456 1.00 0.00 O ATOM 752 OE2 GLU A 50 4.566 14.054 1.970 1.00 0.00 O ATOM 0 H GLU A 50 7.655 10.689 4.157 1.00 0.00 H new ATOM 0 HA GLU A 50 5.377 9.382 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.439 11.342 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.956 10.866 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.619 11.777 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.110 12.279 3.783 1.00 0.00 H new ATOM 759 N LEU A 51 6.354 7.869 1.220 1.00 0.00 N ATOM 760 CA LEU A 51 6.877 6.745 0.430 1.00 0.00 C ATOM 761 C LEU A 51 7.339 7.236 -0.946 1.00 0.00 C ATOM 762 O LEU A 51 6.569 7.813 -1.709 1.00 0.00 O ATOM 763 CB LEU A 51 5.751 5.686 0.236 1.00 0.00 C ATOM 764 CG LEU A 51 4.957 5.429 1.566 1.00 0.00 C ATOM 765 CD1 LEU A 51 3.888 4.326 1.334 1.00 0.00 C ATOM 766 CD2 LEU A 51 5.926 5.047 2.742 1.00 0.00 C ATOM 0 H LEU A 51 5.357 8.040 1.090 1.00 0.00 H new ATOM 0 HA LEU A 51 7.723 6.304 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.063 6.025 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.188 4.750 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 51 4.450 6.350 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.339 4.151 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.195 4.649 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.378 3.404 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.347 4.875 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.473 4.140 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.632 5.860 2.911 1.00 0.00 H new ATOM 778 N THR A 52 8.636 7.045 -1.211 1.00 0.00 N ATOM 779 CA THR A 52 9.261 7.495 -2.424 1.00 0.00 C ATOM 780 C THR A 52 8.948 6.526 -3.511 1.00 0.00 C ATOM 781 O THR A 52 8.195 5.572 -3.323 1.00 0.00 O ATOM 782 CB THR A 52 10.791 7.658 -2.192 1.00 0.00 C ATOM 783 OG1 THR A 52 11.410 8.064 -3.402 1.00 0.00 O ATOM 784 CG2 THR A 52 11.438 6.344 -1.697 1.00 0.00 C ATOM 0 H THR A 52 9.273 6.568 -0.573 1.00 0.00 H new ATOM 0 HA THR A 52 8.877 8.470 -2.723 1.00 0.00 H new ATOM 0 HB THR A 52 10.936 8.414 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.374 8.169 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.506 6.499 -1.547 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.979 6.045 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.286 5.561 -2.440 1.00 0.00 H new ATOM 792 N GLU A 53 9.502 6.831 -4.653 1.00 0.00 N ATOM 793 CA GLU A 53 9.280 6.045 -5.845 1.00 0.00 C ATOM 794 C GLU A 53 9.937 4.678 -5.717 1.00 0.00 C ATOM 795 O GLU A 53 9.288 3.671 -5.873 1.00 0.00 O ATOM 796 CB GLU A 53 9.840 6.776 -7.086 1.00 0.00 C ATOM 797 CG GLU A 53 9.140 8.149 -7.284 1.00 0.00 C ATOM 798 CD GLU A 53 9.675 8.877 -8.531 1.00 0.00 C ATOM 799 OE1 GLU A 53 10.504 8.314 -9.235 1.00 0.00 O ATOM 800 OE2 GLU A 53 9.235 9.990 -8.769 1.00 0.00 O ATOM 0 H GLU A 53 10.121 7.631 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 53 8.205 5.910 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.914 6.924 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.696 6.159 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.065 8.000 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.298 8.770 -6.402 1.00 0.00 H new ATOM 807 N HIS A 54 11.256 4.661 -5.498 1.00 0.00 N ATOM 808 CA HIS A 54 11.985 3.371 -5.503 1.00 0.00 C ATOM 809 C HIS A 54 11.346 2.402 -4.502 1.00 0.00 C ATOM 810 O HIS A 54 11.023 1.271 -4.876 1.00 0.00 O ATOM 811 CB HIS A 54 13.479 3.612 -5.150 1.00 0.00 C ATOM 812 CG HIS A 54 14.253 2.312 -5.209 1.00 0.00 C ATOM 813 ND1 HIS A 54 14.668 1.752 -6.406 1.00 0.00 N ATOM 814 CD2 HIS A 54 14.652 1.436 -4.227 1.00 0.00 C ATOM 815 CE1 HIS A 54 15.282 0.589 -6.121 1.00 0.00 C ATOM 816 NE2 HIS A 54 15.300 0.349 -4.806 1.00 0.00 N ATOM 0 H HIS A 54 11.830 5.486 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 54 11.926 2.928 -6.497 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.912 4.332 -5.845 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.558 4.045 -4.153 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.488 1.571 -3.168 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.708 -0.070 -6.863 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.702 -0.458 -4.329 1.00 0.00 H new ATOM 824 N GLU A 55 11.123 2.839 -3.260 1.00 0.00 N ATOM 825 CA GLU A 55 10.493 1.984 -2.253 1.00 0.00 C ATOM 826 C GLU A 55 9.112 1.516 -2.742 1.00 0.00 C ATOM 827 O GLU A 55 8.813 0.335 -2.718 1.00 0.00 O ATOM 828 CB GLU A 55 10.352 2.812 -0.947 1.00 0.00 C ATOM 829 CG GLU A 55 9.786 1.957 0.225 1.00 0.00 C ATOM 830 CD GLU A 55 9.656 2.794 1.510 1.00 0.00 C ATOM 831 OE1 GLU A 55 10.400 3.752 1.659 1.00 0.00 O ATOM 832 OE2 GLU A 55 8.824 2.447 2.333 1.00 0.00 O ATOM 0 H GLU A 55 11.367 3.773 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 55 11.102 1.098 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.325 3.215 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.695 3.663 -1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.811 1.556 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.441 1.105 0.407 1.00 0.00 H new ATOM 839 N HIS A 56 8.279 2.466 -3.179 1.00 0.00 N ATOM 840 CA HIS A 56 6.927 2.146 -3.651 1.00 0.00 C ATOM 841 C HIS A 56 6.951 1.233 -4.899 1.00 0.00 C ATOM 842 O HIS A 56 6.296 0.194 -4.907 1.00 0.00 O ATOM 843 CB HIS A 56 6.163 3.462 -3.962 1.00 0.00 C ATOM 844 CG HIS A 56 4.728 3.159 -4.317 1.00 0.00 C ATOM 845 ND1 HIS A 56 3.705 3.332 -3.408 1.00 0.00 N ATOM 846 CD2 HIS A 56 4.153 2.619 -5.439 1.00 0.00 C ATOM 847 CE1 HIS A 56 2.577 2.897 -3.984 1.00 0.00 C ATOM 848 NE2 HIS A 56 2.792 2.450 -5.224 1.00 0.00 N ATOM 0 H HIS A 56 8.515 3.458 -3.216 1.00 0.00 H new ATOM 0 HA HIS A 56 6.414 1.598 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.199 4.125 -3.098 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.647 3.986 -4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.677 2.365 -6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.610 2.907 -3.504 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.105 2.067 -5.873 1.00 0.00 H new ATOM 856 N GLN A 57 7.709 1.623 -5.948 1.00 0.00 N ATOM 857 CA GLN A 57 7.788 0.835 -7.193 1.00 0.00 C ATOM 858 C GLN A 57 8.303 -0.586 -6.926 1.00 0.00 C ATOM 859 O GLN A 57 7.857 -1.537 -7.574 1.00 0.00 O ATOM 860 CB GLN A 57 8.701 1.581 -8.232 1.00 0.00 C ATOM 861 CG GLN A 57 7.870 2.517 -9.177 1.00 0.00 C ATOM 862 CD GLN A 57 6.885 3.418 -8.424 1.00 0.00 C ATOM 863 OE1 GLN A 57 7.239 3.937 -7.301 1.00 0.00 O flip ATOM 864 NE2 GLN A 57 5.771 3.658 -8.892 1.00 0.00 N flip ATOM 0 H GLN A 57 8.271 2.474 -5.955 1.00 0.00 H new ATOM 0 HA GLN A 57 6.785 0.739 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.447 2.172 -7.701 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.242 0.849 -8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.554 3.140 -9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.319 1.905 -9.891 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.492 3.246 -9.782 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.127 4.269 -8.389 1.00 0.00 H new ATOM 873 N GLN A 58 9.250 -0.732 -5.986 1.00 0.00 N ATOM 874 CA GLN A 58 9.804 -2.057 -5.676 1.00 0.00 C ATOM 875 C GLN A 58 8.701 -2.942 -5.064 1.00 0.00 C ATOM 876 O GLN A 58 8.437 -4.042 -5.548 1.00 0.00 O ATOM 877 CB GLN A 58 10.992 -1.895 -4.694 1.00 0.00 C ATOM 878 CG GLN A 58 11.773 -3.230 -4.532 1.00 0.00 C ATOM 879 CD GLN A 58 12.910 -3.067 -3.519 1.00 0.00 C ATOM 880 OE1 GLN A 58 12.658 -2.802 -2.343 1.00 0.00 O ATOM 881 NE2 GLN A 58 14.148 -3.205 -3.906 1.00 0.00 N ATOM 0 H GLN A 58 9.641 0.034 -5.438 1.00 0.00 H new ATOM 0 HA GLN A 58 10.166 -2.536 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.665 -1.119 -5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.622 -1.567 -3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.095 -4.017 -4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.178 -3.540 -5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.356 -3.425 -4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.908 -3.093 -3.235 1.00 0.00 H new ATOM 890 N MET A 59 8.056 -2.444 -3.984 1.00 0.00 N ATOM 891 CA MET A 59 6.985 -3.181 -3.300 1.00 0.00 C ATOM 892 C MET A 59 5.819 -3.391 -4.244 1.00 0.00 C ATOM 893 O MET A 59 5.141 -4.419 -4.182 1.00 0.00 O ATOM 894 CB MET A 59 6.533 -2.391 -2.045 1.00 0.00 C ATOM 895 CG MET A 59 7.735 -2.154 -1.099 1.00 0.00 C ATOM 896 SD MET A 59 8.254 -3.720 -0.312 1.00 0.00 S ATOM 897 CE MET A 59 9.849 -3.954 -1.143 1.00 0.00 C ATOM 0 H MET A 59 8.264 -1.534 -3.573 1.00 0.00 H new ATOM 0 HA MET A 59 7.357 -4.157 -2.988 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.102 -1.435 -2.344 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.752 -2.942 -1.521 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.568 -1.729 -1.660 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.464 -1.428 -0.332 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.274 -4.914 -0.851 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.703 -3.936 -2.223 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.530 -3.153 -0.855 1.00 0.00 H new ATOM 907 N ARG A 60 5.580 -2.393 -5.112 1.00 0.00 N ATOM 908 CA ARG A 60 4.460 -2.505 -6.044 1.00 0.00 C ATOM 909 C ARG A 60 4.636 -3.746 -6.930 1.00 0.00 C ATOM 910 O ARG A 60 3.703 -4.537 -7.075 1.00 0.00 O ATOM 911 CB ARG A 60 4.444 -1.242 -6.925 1.00 0.00 C ATOM 912 CG ARG A 60 3.259 -1.272 -7.919 1.00 0.00 C ATOM 913 CD ARG A 60 3.253 -0.022 -8.802 1.00 0.00 C ATOM 914 NE ARG A 60 2.937 1.144 -7.981 1.00 0.00 N ATOM 915 CZ ARG A 60 2.668 2.347 -8.515 1.00 0.00 C ATOM 916 NH1 ARG A 60 2.674 2.518 -9.813 1.00 0.00 N ATOM 917 NH2 ARG A 60 2.388 3.350 -7.739 1.00 0.00 N ATOM 0 H ARG A 60 6.126 -1.535 -5.184 1.00 0.00 H new ATOM 0 HA ARG A 60 3.524 -2.600 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.372 -0.356 -6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.382 -1.166 -7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.326 -2.163 -8.544 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.320 -1.338 -7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.225 0.106 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.519 -0.130 -9.600 1.00 0.00 H new ATOM 0 HE ARG A 60 2.920 1.041 -6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.884 1.733 -10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.468 3.436 -10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.373 3.223 -6.727 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.183 4.265 -8.141 1.00 0.00 H new ATOM 931 N ASP A 61 5.825 -3.917 -7.519 1.00 0.00 N ATOM 932 CA ASP A 61 6.088 -5.072 -8.393 1.00 0.00 C ATOM 933 C ASP A 61 5.969 -6.381 -7.609 1.00 0.00 C ATOM 934 O ASP A 61 5.492 -7.379 -8.129 1.00 0.00 O ATOM 935 CB ASP A 61 7.513 -4.948 -9.009 1.00 0.00 C ATOM 936 CG ASP A 61 7.808 -6.106 -9.984 1.00 0.00 C ATOM 937 OD1 ASP A 61 7.057 -6.255 -10.934 1.00 0.00 O ATOM 938 OD2 ASP A 61 8.775 -6.822 -9.762 1.00 0.00 O ATOM 0 H ASP A 61 6.614 -3.280 -7.410 1.00 0.00 H new ATOM 0 HA ASP A 61 5.347 -5.082 -9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.603 -3.997 -9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.256 -4.943 -8.212 1.00 0.00 H new ATOM 943 N ASP A 62 6.404 -6.348 -6.347 1.00 0.00 N ATOM 944 CA ASP A 62 6.367 -7.516 -5.470 1.00 0.00 C ATOM 945 C ASP A 62 4.927 -7.903 -5.179 1.00 0.00 C ATOM 946 O ASP A 62 4.574 -9.071 -5.227 1.00 0.00 O ATOM 947 CB ASP A 62 7.115 -7.200 -4.148 1.00 0.00 C ATOM 948 CG ASP A 62 8.560 -6.771 -4.439 1.00 0.00 C ATOM 949 OD1 ASP A 62 9.149 -7.313 -5.364 1.00 0.00 O ATOM 950 OD2 ASP A 62 9.059 -5.911 -3.730 1.00 0.00 O ATOM 0 H ASP A 62 6.790 -5.513 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 62 6.859 -8.353 -5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.595 -6.408 -3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.113 -8.078 -3.503 1.00 0.00 H new ATOM 955 N LEU A 63 4.089 -6.901 -4.872 1.00 0.00 N ATOM 956 CA LEU A 63 2.681 -7.161 -4.557 1.00 0.00 C ATOM 957 C LEU A 63 1.975 -7.819 -5.738 1.00 0.00 C ATOM 958 O LEU A 63 1.279 -8.812 -5.559 1.00 0.00 O ATOM 959 CB LEU A 63 1.980 -5.830 -4.197 1.00 0.00 C ATOM 960 CG LEU A 63 0.444 -6.002 -3.875 1.00 0.00 C ATOM 961 CD1 LEU A 63 0.227 -6.954 -2.657 1.00 0.00 C ATOM 962 CD2 LEU A 63 -0.182 -4.605 -3.611 1.00 0.00 C ATOM 0 H LEU A 63 4.359 -5.918 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 63 2.631 -7.842 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.478 -5.387 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.095 -5.131 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.051 -6.459 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.840 -7.053 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.647 -7.934 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.722 -6.540 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.243 -4.718 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.319 -4.136 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.062 -3.979 -4.495 1.00 0.00 H new ATOM 974 N GLU A 64 2.151 -7.264 -6.950 1.00 0.00 N ATOM 975 CA GLU A 64 1.488 -7.819 -8.141 1.00 0.00 C ATOM 976 C GLU A 64 1.870 -9.302 -8.319 1.00 0.00 C ATOM 977 O GLU A 64 1.004 -10.155 -8.513 1.00 0.00 O ATOM 978 CB GLU A 64 1.917 -6.976 -9.375 1.00 0.00 C ATOM 979 CG GLU A 64 1.354 -5.520 -9.289 1.00 0.00 C ATOM 980 CD GLU A 64 -0.180 -5.506 -9.401 1.00 0.00 C ATOM 981 OE1 GLU A 64 -0.683 -6.024 -10.383 1.00 0.00 O ATOM 982 OE2 GLU A 64 -0.827 -4.989 -8.499 1.00 0.00 O ATOM 0 H GLU A 64 2.735 -6.447 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 64 0.405 -7.772 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.005 -6.945 -9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.559 -7.454 -10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.656 -5.066 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.784 -4.914 -10.086 1.00 0.00 H new ATOM 989 N LYS A 65 3.159 -9.592 -8.201 1.00 0.00 N ATOM 990 CA LYS A 65 3.676 -10.967 -8.312 1.00 0.00 C ATOM 991 C LYS A 65 3.042 -11.898 -7.246 1.00 0.00 C ATOM 992 O LYS A 65 2.681 -13.036 -7.550 1.00 0.00 O ATOM 993 CB LYS A 65 5.220 -10.916 -8.124 1.00 0.00 C ATOM 994 CG LYS A 65 5.923 -10.284 -9.362 1.00 0.00 C ATOM 995 CD LYS A 65 7.460 -10.122 -9.123 1.00 0.00 C ATOM 996 CE LYS A 65 8.171 -11.488 -8.898 1.00 0.00 C ATOM 997 NZ LYS A 65 9.642 -11.296 -9.027 1.00 0.00 N ATOM 0 H LYS A 65 3.879 -8.891 -8.027 1.00 0.00 H new ATOM 0 HA LYS A 65 3.419 -11.372 -9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.460 -10.337 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.602 -11.924 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.753 -10.910 -10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.482 -9.311 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.908 -9.619 -9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.625 -9.482 -8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.928 -11.881 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.821 -12.219 -9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.125 -12.205 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.863 -10.938 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.966 -10.611 -8.315 1.00 0.00 H new ATOM 1011 N GLU A 66 2.910 -11.396 -6.014 1.00 0.00 N ATOM 1012 CA GLU A 66 2.313 -12.171 -4.909 1.00 0.00 C ATOM 1013 C GLU A 66 0.804 -12.352 -5.151 1.00 0.00 C ATOM 1014 O GLU A 66 0.270 -13.440 -4.950 1.00 0.00 O ATOM 1015 CB GLU A 66 2.560 -11.425 -3.566 1.00 0.00 C ATOM 1016 CG GLU A 66 4.066 -11.473 -3.158 1.00 0.00 C ATOM 1017 CD GLU A 66 4.339 -10.653 -1.882 1.00 0.00 C ATOM 1018 OE1 GLU A 66 3.394 -10.146 -1.292 1.00 0.00 O ATOM 1019 OE2 GLU A 66 5.498 -10.546 -1.517 1.00 0.00 O ATOM 0 H GLU A 66 3.207 -10.456 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 66 2.777 -13.156 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.240 -10.387 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.954 -11.876 -2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.366 -12.508 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.676 -11.088 -3.975 1.00 0.00 H new ATOM 1026 N ARG A 67 0.123 -11.276 -5.593 1.00 0.00 N ATOM 1027 CA ARG A 67 -1.336 -11.320 -5.852 1.00 0.00 C ATOM 1028 C ARG A 67 -1.697 -12.526 -6.750 1.00 0.00 C ATOM 1029 O ARG A 67 -2.709 -13.186 -6.524 1.00 0.00 O ATOM 1030 CB ARG A 67 -1.827 -9.977 -6.497 1.00 0.00 C ATOM 1031 CG ARG A 67 -2.003 -8.848 -5.430 1.00 0.00 C ATOM 1032 CD ARG A 67 -2.442 -7.525 -6.108 1.00 0.00 C ATOM 1033 NE ARG A 67 -3.711 -7.745 -6.826 1.00 0.00 N ATOM 1034 CZ ARG A 67 -4.894 -7.886 -6.199 1.00 0.00 C ATOM 1035 NH1 ARG A 67 -4.972 -7.834 -4.894 1.00 0.00 N ATOM 1036 NH2 ARG A 67 -5.972 -8.099 -6.902 1.00 0.00 N ATOM 0 H ARG A 67 0.554 -10.370 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.847 -11.444 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.111 -9.654 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.775 -10.145 -7.008 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.746 -9.150 -4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.066 -8.696 -4.895 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.565 -6.742 -5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.673 -7.185 -6.801 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.692 -7.793 -7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.130 -7.685 -4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.875 -7.942 -4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.915 -8.158 -7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.872 -8.207 -6.435 1.00 0.00 H new ATOM 1050 N GLU A 68 -0.844 -12.812 -7.740 1.00 0.00 N ATOM 1051 CA GLU A 68 -1.066 -13.959 -8.653 1.00 0.00 C ATOM 1052 C GLU A 68 -1.147 -15.275 -7.851 1.00 0.00 C ATOM 1053 O GLU A 68 -2.184 -15.939 -7.832 1.00 0.00 O ATOM 1054 CB GLU A 68 0.100 -14.032 -9.673 1.00 0.00 C ATOM 1055 CG GLU A 68 0.104 -12.770 -10.573 1.00 0.00 C ATOM 1056 CD GLU A 68 1.281 -12.770 -11.568 1.00 0.00 C ATOM 1057 OE1 GLU A 68 2.041 -13.728 -11.584 1.00 0.00 O ATOM 1058 OE2 GLU A 68 1.401 -11.800 -12.302 1.00 0.00 O ATOM 0 H GLU A 68 0.001 -12.276 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.008 -13.819 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.050 -14.114 -9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.001 -14.926 -10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.835 -12.715 -11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.159 -11.879 -9.947 1.00 0.00 H new ATOM 1065 N ASP A 69 -0.029 -15.656 -7.217 1.00 0.00 N ATOM 1066 CA ASP A 69 0.035 -16.908 -6.436 1.00 0.00 C ATOM 1067 C ASP A 69 -1.101 -16.960 -5.395 1.00 0.00 C ATOM 1068 O ASP A 69 -1.711 -18.006 -5.174 1.00 0.00 O ATOM 1069 CB ASP A 69 1.416 -17.016 -5.726 1.00 0.00 C ATOM 1070 CG ASP A 69 1.541 -18.339 -4.949 1.00 0.00 C ATOM 1071 OD1 ASP A 69 1.917 -19.327 -5.559 1.00 0.00 O ATOM 1072 OD2 ASP A 69 1.256 -18.339 -3.762 1.00 0.00 O ATOM 0 H ASP A 69 0.840 -15.122 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.086 -17.750 -7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.214 -16.949 -6.465 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.543 -16.176 -5.043 1.00 0.00 H new ATOM 1077 N LEU A 70 -1.358 -15.812 -4.763 1.00 0.00 N ATOM 1078 CA LEU A 70 -2.408 -15.688 -3.731 1.00 0.00 C ATOM 1079 C LEU A 70 -3.803 -15.866 -4.350 1.00 0.00 C ATOM 1080 O LEU A 70 -4.685 -16.474 -3.741 1.00 0.00 O ATOM 1081 CB LEU A 70 -2.286 -14.296 -3.049 1.00 0.00 C ATOM 1082 CG LEU A 70 -0.959 -14.143 -2.193 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -0.735 -12.640 -1.835 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -1.028 -14.964 -0.871 1.00 0.00 C ATOM 0 H LEU A 70 -0.853 -14.945 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.274 -16.471 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.311 -13.519 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.150 -14.136 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.134 -14.523 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.177 -12.538 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.643 -12.057 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.583 -12.274 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.101 -14.833 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.866 -14.614 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.165 -16.020 -1.105 1.00 0.00 H new ATOM 1096 N ASP A 71 -4.003 -15.320 -5.559 1.00 0.00 N ATOM 1097 CA ASP A 71 -5.309 -15.418 -6.249 1.00 0.00 C ATOM 1098 C ASP A 71 -5.671 -16.898 -6.479 1.00 0.00 C ATOM 1099 O ASP A 71 -6.796 -17.322 -6.213 1.00 0.00 O ATOM 1100 CB ASP A 71 -5.260 -14.650 -7.602 1.00 0.00 C ATOM 1101 CG ASP A 71 -6.619 -14.700 -8.321 1.00 0.00 C ATOM 1102 OD1 ASP A 71 -7.522 -14.011 -7.877 1.00 0.00 O ATOM 1103 OD2 ASP A 71 -6.732 -15.428 -9.296 1.00 0.00 O ATOM 0 H ASP A 71 -3.289 -14.810 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.078 -14.964 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.978 -13.612 -7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.491 -15.084 -8.242 1.00 0.00 H new ATOM 1108 N LEU A 72 -4.692 -17.669 -6.971 1.00 0.00 N ATOM 1109 CA LEU A 72 -4.864 -19.106 -7.244 1.00 0.00 C ATOM 1110 C LEU A 72 -5.135 -19.870 -5.934 1.00 0.00 C ATOM 1111 O LEU A 72 -6.010 -20.741 -5.880 1.00 0.00 O ATOM 1112 CB LEU A 72 -3.560 -19.627 -7.921 1.00 0.00 C ATOM 1113 CG LEU A 72 -3.332 -19.001 -9.356 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -1.876 -19.298 -9.837 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -4.334 -19.582 -10.411 1.00 0.00 C ATOM 0 H LEU A 72 -3.760 -17.317 -7.191 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.717 -19.266 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.706 -19.393 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.607 -20.713 -8.005 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.499 -17.927 -9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.724 -18.865 -10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.165 -18.861 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.722 -20.376 -9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.144 -19.126 -11.383 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.200 -20.661 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.356 -19.363 -10.101 1.00 0.00 H new ATOM 1127 N ASP A 73 -4.385 -19.527 -4.875 1.00 0.00 N ATOM 1128 CA ASP A 73 -4.551 -20.169 -3.562 1.00 0.00 C ATOM 1129 C ASP A 73 -5.934 -19.800 -2.988 1.00 0.00 C ATOM 1130 O ASP A 73 -6.145 -18.673 -2.536 1.00 0.00 O ATOM 1131 CB ASP A 73 -3.421 -19.688 -2.613 1.00 0.00 C ATOM 1132 CG ASP A 73 -2.042 -20.031 -3.199 1.00 0.00 C ATOM 1133 OD1 ASP A 73 -1.920 -21.080 -3.813 1.00 0.00 O ATOM 1134 OD2 ASP A 73 -1.127 -19.238 -3.026 1.00 0.00 O ATOM 0 H ASP A 73 -3.660 -18.811 -4.902 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.490 -21.253 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.500 -18.612 -2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.534 -20.158 -1.636 1.00 0.00 H new ATOM 1139 N HIS A 74 -6.871 -20.762 -3.028 1.00 0.00 N ATOM 1140 CA HIS A 74 -8.236 -20.554 -2.526 1.00 0.00 C ATOM 1141 C HIS A 74 -8.209 -20.492 -1.002 1.00 0.00 C ATOM 1142 O HIS A 74 -9.149 -20.001 -0.374 1.00 0.00 O ATOM 1143 CB HIS A 74 -9.142 -21.719 -2.999 1.00 0.00 C ATOM 1144 CG HIS A 74 -9.112 -21.806 -4.501 1.00 0.00 C ATOM 1145 ND1 HIS A 74 -8.229 -22.633 -5.174 1.00 0.00 N ATOM 1146 CD2 HIS A 74 -9.848 -21.174 -5.471 1.00 0.00 C ATOM 1147 CE1 HIS A 74 -8.452 -22.478 -6.492 1.00 0.00 C ATOM 1148 NE2 HIS A 74 -9.429 -21.600 -6.728 1.00 0.00 N ATOM 0 H HIS A 74 -6.705 -21.695 -3.405 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.634 -19.616 -2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -8.800 -22.658 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -10.164 -21.561 -2.654 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -10.633 -20.455 -5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -7.907 -23.000 -7.264 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -9.791 -21.305 -7.635 1.00 0.00 H new ATOM 1156 N SER A 75 -7.108 -20.990 -0.411 1.00 0.00 N ATOM 1157 CA SER A 75 -6.943 -20.986 1.048 1.00 0.00 C ATOM 1158 C SER A 75 -6.979 -19.541 1.567 1.00 0.00 C ATOM 1159 O SER A 75 -6.402 -18.640 0.950 1.00 0.00 O ATOM 1160 CB SER A 75 -5.602 -21.659 1.431 1.00 0.00 C ATOM 1161 OG SER A 75 -5.602 -23.001 0.957 1.00 0.00 O ATOM 0 H SER A 75 -6.325 -21.398 -0.921 1.00 0.00 H new ATOM 0 HA SER A 75 -7.758 -21.548 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.767 -21.107 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.468 -21.642 2.513 1.00 0.00 H new ATOM 0 HG SER A 75 -4.755 -23.432 1.195 1.00 0.00 H new ATOM 1167 N SER A 76 -7.660 -19.332 2.698 1.00 0.00 N ATOM 1168 CA SER A 76 -7.776 -18.003 3.305 1.00 0.00 C ATOM 1169 C SER A 76 -6.401 -17.476 3.691 1.00 0.00 C ATOM 1170 O SER A 76 -6.104 -16.292 3.524 1.00 0.00 O ATOM 1171 CB SER A 76 -8.655 -18.081 4.567 1.00 0.00 C ATOM 1172 OG SER A 76 -8.769 -16.784 5.139 1.00 0.00 O ATOM 0 H SER A 76 -8.141 -20.069 3.213 1.00 0.00 H new ATOM 0 HA SER A 76 -8.230 -17.329 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.642 -18.468 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.217 -18.772 5.287 1.00 0.00 H new ATOM 0 HG SER A 76 -9.329 -16.829 5.942 1.00 0.00 H new ATOM 1178 N LEU A 77 -5.576 -18.376 4.247 1.00 0.00 N ATOM 1179 CA LEU A 77 -4.232 -18.012 4.708 1.00 0.00 C ATOM 1180 C LEU A 77 -3.279 -17.715 3.514 1.00 0.00 C ATOM 1181 O LEU A 77 -3.399 -18.374 2.477 1.00 0.00 O ATOM 1182 CB LEU A 77 -3.648 -19.169 5.574 1.00 0.00 C ATOM 1183 CG LEU A 77 -4.601 -19.561 6.762 1.00 0.00 C ATOM 1184 CD1 LEU A 77 -3.973 -20.743 7.566 1.00 0.00 C ATOM 1185 CD2 LEU A 77 -4.865 -18.348 7.720 1.00 0.00 C ATOM 0 H LEU A 77 -5.817 -19.357 4.387 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.312 -17.104 5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.478 -20.042 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.679 -18.869 5.972 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.559 -19.864 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.634 -21.015 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.842 -21.602 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.004 -20.439 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.528 -18.660 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.920 -18.003 8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.331 -17.537 7.160 1.00 0.00 H new ATOM 1197 N PRO A 78 -2.314 -16.768 3.626 1.00 0.00 N ATOM 1198 CA PRO A 78 -1.338 -16.474 2.508 1.00 0.00 C ATOM 1199 C PRO A 78 -0.762 -17.753 1.844 1.00 0.00 C ATOM 1200 O PRO A 78 -0.446 -18.681 2.572 1.00 0.00 O ATOM 1201 CB PRO A 78 -0.220 -15.631 3.208 1.00 0.00 C ATOM 1202 CG PRO A 78 -0.953 -14.885 4.295 1.00 0.00 C ATOM 1203 CD PRO A 78 -2.057 -15.861 4.793 1.00 0.00 C ATOM 1204 OXT PRO A 78 -0.655 -17.779 0.629 1.00 0.00 O ATOM 0 HA PRO A 78 -1.818 -15.951 1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.562 -16.269 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.261 -14.947 2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.278 -14.608 5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.388 -13.961 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.725 -16.423 5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.960 -15.324 5.084 1.00 0.00 H new TER 1212 PRO A 78