USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 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 40 THR OG1 : rot -101:sc= 0.748 USER MOD Set 1.2: A 52 HIS : no HD1:sc= 0.638 K(o=1.4,f=-0.3) USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0.52 K(o=1.4,f=-3.7!) USER MOD Set 2.2: A 7 SER OG : rot -96:sc= 0.645 USER MOD Set 2.3: A 74 GLN : amide:sc= 0.228 K(o=1.4,f=-0.84) USER MOD Set 3.1: A 4 HIS : no HE2:sc=-0.00127 K(o=-0.3,f=-2.1) USER MOD Set 3.2: A 6 HIS : no HD1:sc= 0.513 K(o=-0.3,f=-5.5!) USER MOD Set 3.3: A 78 ASN : amide:sc= -0.81 K(o=-0.3,f=0.72) USER MOD Set 4.1: A 2 HIS : no HD1:sc= -0.431 K(o=-1.5,f=-0.96) USER MOD Set 4.2: A 77 GLN : amide:sc= -1.1 K(o=-1.5,f=-0.081) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ -103:sc= 0.0694 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.157 K(o=0.16,f=-4.3!) USER MOD Single : A 9 MET CE :methyl 135:sc= -2.07 (180deg=-3.43!) USER MOD Single : A 13 THR OG1 : rot -170:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-0.87) USER MOD Single : A 20 GLN : amide:sc= -0.511 K(o=-0.51,f=-4.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.559 USER MOD Single : A 22 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00797) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 41:sc= 0.186 USER MOD Single : A 37 THR OG1 : rot 37:sc= 0.307 USER MOD Single : A 38 THR OG1 : rot 3:sc= 1.17 USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0.859 (180deg=0.678) USER MOD Single : A 55 HIS : no HE2:sc= 0.118 K(o=0.12,f=-0.5) USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= 0.138 (180deg=-0.232) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -145:sc= 1.12 (180deg=0.155) USER MOD Single : A 85 THR OG1 : rot 27:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -11.919 -24.479 -1.039 1.00 75.00 N ATOM 2 CA HIS A 1 -10.699 -24.310 -1.862 1.00 75.00 C ATOM 3 C HIS A 1 -9.724 -23.363 -1.145 1.00 75.00 C ATOM 4 O HIS A 1 -10.154 -22.472 -0.405 1.00 75.00 O ATOM 5 CB HIS A 1 -11.085 -23.776 -3.269 1.00 75.00 C ATOM 6 CG HIS A 1 -9.927 -23.662 -4.238 1.00 75.00 C ATOM 7 ND1 HIS A 1 -9.373 -24.747 -4.883 1.00 75.00 N ATOM 8 CD2 HIS A 1 -9.214 -22.586 -4.655 1.00 75.00 C ATOM 9 CE1 HIS A 1 -8.377 -24.340 -5.651 1.00 75.00 C ATOM 10 NE2 HIS A 1 -8.263 -23.036 -5.529 1.00 75.00 N ATOM 0 H1 HIS A 1 -11.888 -25.400 -0.558 1.00 75.00 H new ATOM 0 H2 HIS A 1 -11.968 -23.720 -0.330 1.00 75.00 H new ATOM 0 H3 HIS A 1 -12.759 -24.436 -1.651 1.00 75.00 H new ATOM 0 HA HIS A 1 -10.202 -25.271 -1.994 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -11.839 -24.435 -3.700 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -11.546 -22.795 -3.157 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -9.369 -21.561 -4.352 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -7.761 -24.972 -6.274 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -7.576 -22.454 -6.009 1.00 75.00 H new ATOM 21 N HIS A 2 -8.404 -23.555 -1.366 1.00 75.00 N ATOM 22 CA HIS A 2 -7.359 -22.712 -0.761 1.00 75.00 C ATOM 23 C HIS A 2 -6.232 -22.442 -1.770 1.00 75.00 C ATOM 24 O HIS A 2 -6.066 -23.187 -2.750 1.00 75.00 O ATOM 25 CB HIS A 2 -6.805 -23.365 0.530 1.00 75.00 C ATOM 26 CG HIS A 2 -6.036 -24.645 0.328 1.00 75.00 C ATOM 27 ND1 HIS A 2 -4.660 -24.686 0.222 1.00 75.00 N ATOM 28 CD2 HIS A 2 -6.448 -25.936 0.229 1.00 75.00 C ATOM 29 CE1 HIS A 2 -4.268 -25.934 0.067 1.00 75.00 C ATOM 30 NE2 HIS A 2 -5.328 -26.708 0.070 1.00 75.00 N ATOM 0 H HIS A 2 -8.039 -24.295 -1.966 1.00 75.00 H new ATOM 0 HA HIS A 2 -7.805 -21.756 -0.487 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -6.156 -22.646 1.031 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -7.639 -23.564 1.203 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -7.468 -26.288 0.268 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -3.246 -26.265 -0.044 1.00 75.00 H new ATOM 0 HE2 HIS A 2 -5.319 -27.723 -0.030 1.00 75.00 H new ATOM 39 N HIS A 3 -5.458 -21.373 -1.516 1.00 75.00 N ATOM 40 CA HIS A 3 -4.337 -20.953 -2.374 1.00 75.00 C ATOM 41 C HIS A 3 -3.060 -20.801 -1.533 1.00 75.00 C ATOM 42 O HIS A 3 -3.020 -19.984 -0.604 1.00 75.00 O ATOM 43 CB HIS A 3 -4.672 -19.612 -3.085 1.00 75.00 C ATOM 44 CG HIS A 3 -3.574 -19.107 -3.997 1.00 75.00 C ATOM 45 ND1 HIS A 3 -3.426 -19.539 -5.296 1.00 75.00 N ATOM 46 CD2 HIS A 3 -2.547 -18.234 -3.785 1.00 75.00 C ATOM 47 CE1 HIS A 3 -2.368 -18.968 -5.833 1.00 75.00 C ATOM 48 NE2 HIS A 3 -1.818 -18.176 -4.942 1.00 75.00 N ATOM 0 H HIS A 3 -5.594 -20.772 -0.703 1.00 75.00 H new ATOM 0 HA HIS A 3 -4.173 -21.717 -3.134 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -5.584 -19.740 -3.668 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -4.880 -18.854 -2.330 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -2.347 -17.690 -2.874 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -2.011 -19.125 -6.840 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -0.983 -17.609 -5.088 1.00 75.00 H new ATOM 57 N HIS A 4 -2.025 -21.585 -1.870 1.00 75.00 N ATOM 58 CA HIS A 4 -0.692 -21.481 -1.248 1.00 75.00 C ATOM 59 C HIS A 4 0.049 -20.238 -1.792 1.00 75.00 C ATOM 60 O HIS A 4 0.017 -19.977 -3.000 1.00 75.00 O ATOM 61 CB HIS A 4 0.122 -22.762 -1.532 1.00 75.00 C ATOM 62 CG HIS A 4 1.504 -22.765 -0.929 1.00 75.00 C ATOM 63 ND1 HIS A 4 2.595 -22.213 -1.563 1.00 75.00 N ATOM 64 CD2 HIS A 4 1.966 -23.223 0.259 1.00 75.00 C ATOM 65 CE1 HIS A 4 3.653 -22.333 -0.799 1.00 75.00 C ATOM 66 NE2 HIS A 4 3.307 -22.941 0.308 1.00 75.00 N ATOM 0 H HIS A 4 -2.087 -22.312 -2.583 1.00 75.00 H new ATOM 0 HA HIS A 4 -0.807 -21.373 -0.170 1.00 75.00 H new ATOM 0 HB2 HIS A 4 -0.430 -23.621 -1.151 1.00 75.00 H new ATOM 0 HB3 HIS A 4 0.209 -22.892 -2.611 1.00 75.00 H new ATOM 0 HD1 HIS A 4 2.582 -21.778 -2.485 1.00 75.00 H new ATOM 0 HD2 HIS A 4 1.387 -23.718 1.024 1.00 75.00 H new ATOM 0 HE1 HIS A 4 4.647 -21.987 -1.042 1.00 75.00 H new ATOM 75 N HIS A 5 0.731 -19.492 -0.905 1.00 75.00 N ATOM 76 CA HIS A 5 1.346 -18.193 -1.257 1.00 75.00 C ATOM 77 C HIS A 5 2.684 -17.976 -0.534 1.00 75.00 C ATOM 78 O HIS A 5 2.879 -18.455 0.587 1.00 75.00 O ATOM 79 CB HIS A 5 0.352 -17.043 -0.933 1.00 75.00 C ATOM 80 CG HIS A 5 -0.232 -17.083 0.461 1.00 75.00 C ATOM 81 ND1 HIS A 5 -1.423 -17.727 0.755 1.00 75.00 N ATOM 82 CD2 HIS A 5 0.202 -16.564 1.641 1.00 75.00 C ATOM 83 CE1 HIS A 5 -1.689 -17.599 2.039 1.00 75.00 C ATOM 84 NE2 HIS A 5 -0.722 -16.903 2.596 1.00 75.00 N ATOM 0 H HIS A 5 0.872 -19.766 0.067 1.00 75.00 H new ATOM 0 HA HIS A 5 1.561 -18.197 -2.326 1.00 75.00 H new ATOM 0 HB2 HIS A 5 0.864 -16.090 -1.070 1.00 75.00 H new ATOM 0 HB3 HIS A 5 -0.464 -17.073 -1.655 1.00 75.00 H new ATOM 0 HD2 HIS A 5 1.105 -15.992 1.797 1.00 75.00 H new ATOM 0 HE1 HIS A 5 -2.554 -17.998 2.548 1.00 75.00 H new ATOM 0 HE2 HIS A 5 -0.668 -16.654 3.584 1.00 75.00 H new ATOM 93 N HIS A 6 3.610 -17.279 -1.220 1.00 75.00 N ATOM 94 CA HIS A 6 4.842 -16.730 -0.626 1.00 75.00 C ATOM 95 C HIS A 6 4.767 -15.203 -0.703 1.00 75.00 C ATOM 96 O HIS A 6 5.245 -14.586 -1.658 1.00 75.00 O ATOM 97 CB HIS A 6 6.119 -17.281 -1.320 1.00 75.00 C ATOM 98 CG HIS A 6 6.436 -18.714 -0.985 1.00 75.00 C ATOM 99 ND1 HIS A 6 7.195 -19.535 -1.794 1.00 75.00 N ATOM 100 CD2 HIS A 6 6.116 -19.462 0.099 1.00 75.00 C ATOM 101 CE1 HIS A 6 7.319 -20.715 -1.224 1.00 75.00 C ATOM 102 NE2 HIS A 6 6.680 -20.695 -0.077 1.00 75.00 N ATOM 0 H HIS A 6 3.521 -17.079 -2.216 1.00 75.00 H new ATOM 0 HA HIS A 6 4.915 -17.043 0.415 1.00 75.00 H new ATOM 0 HB2 HIS A 6 6.000 -17.190 -2.400 1.00 75.00 H new ATOM 0 HB3 HIS A 6 6.968 -16.658 -1.040 1.00 75.00 H new ATOM 0 HD2 HIS A 6 5.525 -19.143 0.945 1.00 75.00 H new ATOM 0 HE1 HIS A 6 7.856 -21.559 -1.632 1.00 75.00 H new ATOM 0 HE2 HIS A 6 6.615 -21.474 0.578 1.00 75.00 H new ATOM 111 N SER A 7 4.084 -14.618 0.282 1.00 75.00 N ATOM 112 CA SER A 7 3.788 -13.185 0.334 1.00 75.00 C ATOM 113 C SER A 7 4.804 -12.439 1.217 1.00 75.00 C ATOM 114 O SER A 7 5.607 -13.070 1.921 1.00 75.00 O ATOM 115 CB SER A 7 2.365 -13.016 0.899 1.00 75.00 C ATOM 116 OG SER A 7 1.435 -13.831 0.195 1.00 75.00 O ATOM 0 H SER A 7 3.715 -15.135 1.080 1.00 75.00 H new ATOM 0 HA SER A 7 3.856 -12.760 -0.667 1.00 75.00 H new ATOM 0 HB2 SER A 7 2.357 -13.279 1.957 1.00 75.00 H new ATOM 0 HB3 SER A 7 2.064 -11.971 0.828 1.00 75.00 H new ATOM 0 HG SER A 7 0.991 -13.298 -0.497 1.00 75.00 H new ATOM 122 N HIS A 8 4.773 -11.091 1.171 1.00 50.00 N ATOM 123 CA HIS A 8 5.506 -10.261 2.134 1.00 50.00 C ATOM 124 C HIS A 8 4.729 -10.291 3.459 1.00 50.00 C ATOM 125 O HIS A 8 3.508 -10.090 3.469 1.00 50.00 O ATOM 126 CB HIS A 8 5.687 -8.799 1.637 1.00 50.00 C ATOM 127 CG HIS A 8 6.633 -7.976 2.485 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.414 -7.710 3.823 1.00 75.00 N ATOM 129 CD2 HIS A 8 7.836 -7.417 2.200 1.00 75.00 C ATOM 130 CE1 HIS A 8 7.433 -7.039 4.317 1.00 75.00 C ATOM 131 NE2 HIS A 8 8.305 -6.845 3.355 1.00 75.00 N ATOM 0 H HIS A 8 4.248 -10.560 0.476 1.00 50.00 H new ATOM 0 HA HIS A 8 6.511 -10.663 2.262 1.00 50.00 H new ATOM 0 HB2 HIS A 8 6.056 -8.817 0.612 1.00 50.00 H new ATOM 0 HB3 HIS A 8 4.713 -8.309 1.617 1.00 50.00 H new ATOM 0 HD1 HIS A 8 5.587 -7.991 4.349 1.00 75.00 H new ATOM 0 HD2 HIS A 8 8.333 -7.422 1.241 1.00 75.00 H new ATOM 0 HE1 HIS A 8 7.534 -6.705 5.339 1.00 75.00 H new ATOM 140 N MET A 9 5.449 -10.544 4.557 1.00 10.00 N ATOM 141 CA MET A 9 4.858 -10.724 5.889 1.00 10.00 C ATOM 142 C MET A 9 4.244 -9.421 6.435 1.00 10.00 C ATOM 143 O MET A 9 4.554 -8.313 5.967 1.00 50.00 O ATOM 144 CB MET A 9 5.925 -11.298 6.855 1.00 50.00 C ATOM 145 CG MET A 9 7.192 -10.446 7.003 1.00 50.00 C ATOM 146 SD MET A 9 8.488 -11.325 7.881 1.00 50.00 S ATOM 147 CE MET A 9 8.733 -12.766 6.827 1.00 75.00 C ATOM 0 H MET A 9 6.465 -10.630 4.547 1.00 10.00 H new ATOM 0 HA MET A 9 4.035 -11.434 5.805 1.00 10.00 H new ATOM 0 HB2 MET A 9 5.473 -11.423 7.839 1.00 50.00 H new ATOM 0 HB3 MET A 9 6.211 -12.291 6.507 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.553 -10.157 6.016 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.951 -9.526 7.536 1.00 50.00 H new ATOM 0 HE1 MET A 9 9.800 -12.937 6.687 1.00 75.00 H new ATOM 0 HE2 MET A 9 8.284 -13.641 7.297 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.263 -12.593 5.859 1.00 75.00 H new ATOM 157 N VAL A 10 3.387 -9.601 7.443 1.00 10.00 N ATOM 158 CA VAL A 10 2.577 -8.544 8.057 1.00 10.00 C ATOM 159 C VAL A 10 3.427 -7.418 8.692 1.00 10.00 C ATOM 160 O VAL A 10 4.486 -7.674 9.289 1.00 50.00 O ATOM 161 CB VAL A 10 1.623 -9.176 9.134 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.561 -10.081 8.468 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.424 -9.969 10.207 1.00 50.00 C ATOM 0 H VAL A 10 3.232 -10.515 7.868 1.00 10.00 H new ATOM 0 HA VAL A 10 1.995 -8.079 7.261 1.00 10.00 H new ATOM 0 HB VAL A 10 1.109 -8.357 9.638 1.00 50.00 H new ATOM 0 HG11 VAL A 10 -0.087 -10.506 9.234 1.00 50.00 H new ATOM 0 HG12 VAL A 10 -0.037 -9.490 7.774 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.057 -10.885 7.925 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.734 -10.393 10.937 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.981 -10.772 9.725 1.00 50.00 H new ATOM 0 HG23 VAL A 10 3.119 -9.298 10.712 1.00 50.00 H new ATOM 173 N GLY A 11 2.953 -6.172 8.525 1.00 10.00 N ATOM 174 CA GLY A 11 3.582 -5.003 9.155 1.00 10.00 C ATOM 175 C GLY A 11 4.433 -4.201 8.180 1.00 10.00 C ATOM 176 O GLY A 11 5.163 -3.298 8.603 1.00 50.00 O ATOM 0 H GLY A 11 2.135 -5.950 7.958 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.808 -4.358 9.571 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.203 -5.334 9.987 1.00 10.00 H new ATOM 180 N ASP A 12 4.348 -4.543 6.869 1.00 10.00 N ATOM 181 CA ASP A 12 5.167 -3.918 5.808 1.00 10.00 C ATOM 182 C ASP A 12 4.857 -2.415 5.699 1.00 10.00 C ATOM 183 O ASP A 12 3.852 -2.032 5.101 1.00 50.00 O ATOM 184 CB ASP A 12 4.897 -4.618 4.438 1.00 50.00 C ATOM 185 CG ASP A 12 5.814 -4.187 3.261 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.729 -3.348 3.433 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.623 -4.714 2.144 1.00 50.00 O ATOM 0 H ASP A 12 3.710 -5.259 6.522 1.00 10.00 H new ATOM 0 HA ASP A 12 6.218 -4.038 6.069 1.00 10.00 H new ATOM 0 HB2 ASP A 12 4.999 -5.694 4.576 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.862 -4.429 4.154 1.00 50.00 H new ATOM 192 N THR A 13 5.756 -1.578 6.234 1.00 10.00 N ATOM 193 CA THR A 13 5.550 -0.127 6.268 1.00 10.00 C ATOM 194 C THR A 13 5.695 0.441 4.842 1.00 10.00 C ATOM 195 O THR A 13 6.775 0.400 4.250 1.00 50.00 O ATOM 196 CB THR A 13 6.559 0.555 7.243 1.00 50.00 C ATOM 197 OG1 THR A 13 6.440 -0.049 8.548 1.00 50.00 O ATOM 198 CG2 THR A 13 6.328 2.082 7.342 1.00 50.00 C ATOM 0 H THR A 13 6.635 -1.884 6.650 1.00 10.00 H new ATOM 0 HA THR A 13 4.546 0.083 6.636 1.00 10.00 H new ATOM 0 HB THR A 13 7.565 0.405 6.850 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.952 0.475 9.199 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.052 2.516 8.031 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.449 2.533 6.357 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.319 2.274 7.707 1.00 50.00 H new ATOM 206 N VAL A 14 4.560 0.890 4.293 1.00 10.00 N ATOM 207 CA VAL A 14 4.434 1.396 2.915 1.00 10.00 C ATOM 208 C VAL A 14 3.655 2.725 2.903 1.00 10.00 C ATOM 209 O VAL A 14 3.224 3.222 3.942 1.00 50.00 O ATOM 210 CB VAL A 14 3.685 0.350 1.998 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.500 -0.956 1.829 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.254 0.062 2.534 1.00 50.00 C ATOM 0 H VAL A 14 3.679 0.913 4.806 1.00 10.00 H new ATOM 0 HA VAL A 14 5.439 1.557 2.525 1.00 10.00 H new ATOM 0 HB VAL A 14 3.588 0.795 1.008 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.950 -1.648 1.192 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.462 -0.728 1.371 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.662 -1.413 2.805 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.761 -0.661 1.884 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.318 -0.343 3.544 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.678 0.987 2.550 1.00 50.00 H new ATOM 222 N TRP A 15 3.493 3.287 1.701 1.00 10.00 N ATOM 223 CA TRP A 15 2.658 4.465 1.440 1.00 10.00 C ATOM 224 C TRP A 15 1.644 4.082 0.349 1.00 10.00 C ATOM 225 O TRP A 15 1.942 3.229 -0.494 1.00 50.00 O ATOM 226 CB TRP A 15 3.536 5.657 0.965 1.00 50.00 C ATOM 227 CG TRP A 15 4.541 6.160 1.991 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.415 6.141 3.354 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.814 6.782 1.726 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.525 6.683 3.941 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.391 7.097 2.972 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.516 7.102 0.560 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.635 7.716 3.086 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.749 7.721 0.674 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.298 8.020 1.929 1.00 50.00 C ATOM 0 H TRP A 15 3.949 2.927 0.863 1.00 10.00 H new ATOM 0 HA TRP A 15 2.143 4.775 2.349 1.00 10.00 H new ATOM 0 HB2 TRP A 15 4.075 5.357 0.066 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.882 6.482 0.684 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.561 5.753 3.889 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.681 6.765 4.946 1.00 50.00 H new ATOM 0 HE3 TRP A 15 6.104 6.871 -0.411 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.059 7.947 4.052 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.298 7.978 -0.220 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.264 8.500 1.983 1.00 50.00 H new ATOM 246 N VAL A 16 0.460 4.715 0.362 1.00 10.00 N ATOM 247 CA VAL A 16 -0.594 4.465 -0.639 1.00 10.00 C ATOM 248 C VAL A 16 -0.698 5.673 -1.582 1.00 10.00 C ATOM 249 O VAL A 16 -1.152 6.751 -1.186 1.00 50.00 O ATOM 250 CB VAL A 16 -2.003 4.139 0.015 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.141 4.100 -1.050 1.00 50.00 C ATOM 252 CG2 VAL A 16 -1.940 2.796 0.785 1.00 50.00 C ATOM 0 H VAL A 16 0.205 5.412 1.062 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.309 3.577 -1.203 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.235 4.942 0.715 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.089 3.874 -0.562 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.210 5.069 -1.545 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.921 3.330 -1.789 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -2.913 2.585 1.228 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.673 1.994 0.097 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.189 2.863 1.572 1.00 50.00 H new ATOM 262 N ARG A 17 -0.228 5.459 -2.816 1.00 10.00 N ATOM 263 CA ARG A 17 -0.252 6.433 -3.911 1.00 10.00 C ATOM 264 C ARG A 17 -1.671 6.541 -4.503 1.00 10.00 C ATOM 265 O ARG A 17 -2.347 5.529 -4.693 1.00 50.00 O ATOM 266 CB ARG A 17 0.758 5.950 -4.978 1.00 50.00 C ATOM 267 CG ARG A 17 0.843 6.814 -6.243 1.00 50.00 C ATOM 268 CD ARG A 17 1.775 6.202 -7.305 1.00 50.00 C ATOM 269 NE ARG A 17 3.172 6.096 -6.832 1.00 50.00 N ATOM 270 CZ ARG A 17 3.921 4.980 -6.841 1.00 50.00 C ATOM 271 NH1 ARG A 17 3.436 3.825 -7.286 1.00 75.00 N ATOM 272 NH2 ARG A 17 5.166 5.040 -6.401 1.00 75.00 N ATOM 0 H ARG A 17 0.194 4.571 -3.088 1.00 10.00 H new ATOM 0 HA ARG A 17 0.023 7.425 -3.553 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.747 5.904 -4.523 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.494 4.934 -5.270 1.00 50.00 H new ATOM 0 HG2 ARG A 17 -0.155 6.936 -6.665 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.201 7.809 -5.978 1.00 50.00 H new ATOM 0 HD2 ARG A 17 1.410 5.212 -7.578 1.00 50.00 H new ATOM 0 HD3 ARG A 17 1.745 6.813 -8.207 1.00 50.00 H new ATOM 0 HE ARG A 17 3.605 6.944 -6.467 1.00 50.00 H new ATOM 0 HH11 ARG A 17 2.477 3.773 -7.630 1.00 75.00 H new ATOM 0 HH12 ARG A 17 4.023 2.991 -7.283 1.00 75.00 H new ATOM 0 HH21 ARG A 17 5.545 5.924 -6.061 1.00 75.00 H new ATOM 0 HH22 ARG A 17 5.748 4.202 -6.401 1.00 75.00 H new ATOM 286 N ARG A 18 -2.119 7.768 -4.794 1.00 10.00 N ATOM 287 CA ARG A 18 -3.449 8.027 -5.381 1.00 10.00 C ATOM 288 C ARG A 18 -3.319 9.039 -6.530 1.00 10.00 C ATOM 289 O ARG A 18 -2.966 10.203 -6.303 1.00 50.00 O ATOM 290 CB ARG A 18 -4.431 8.548 -4.293 1.00 50.00 C ATOM 291 CG ARG A 18 -5.784 9.055 -4.849 1.00 50.00 C ATOM 292 CD ARG A 18 -6.742 9.542 -3.752 1.00 50.00 C ATOM 293 NE ARG A 18 -7.388 8.433 -3.018 1.00 75.00 N ATOM 294 CZ ARG A 18 -8.718 8.253 -2.917 1.00 75.00 C ATOM 295 NH1 ARG A 18 -9.573 9.097 -3.493 1.00 75.00 N ATOM 296 NH2 ARG A 18 -9.189 7.214 -2.242 1.00 75.00 N ATOM 0 H ARG A 18 -1.573 8.614 -4.631 1.00 10.00 H new ATOM 0 HA ARG A 18 -3.852 7.096 -5.779 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.622 7.747 -3.578 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -3.951 9.358 -3.744 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -5.600 9.869 -5.550 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.262 8.253 -5.411 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.192 10.166 -3.047 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -7.511 10.170 -4.201 1.00 50.00 H new ATOM 0 HE ARG A 18 -6.782 7.756 -2.555 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -9.223 9.896 -4.022 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -10.578 8.944 -3.405 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -8.545 6.557 -1.803 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -10.196 7.072 -2.162 1.00 75.00 H new ATOM 310 N HIS A 19 -3.588 8.583 -7.762 1.00 50.00 N ATOM 311 CA HIS A 19 -3.671 9.455 -8.946 1.00 50.00 C ATOM 312 C HIS A 19 -4.996 10.225 -8.883 1.00 50.00 C ATOM 313 O HIS A 19 -6.065 9.636 -9.090 1.00 75.00 O ATOM 314 CB HIS A 19 -3.573 8.614 -10.248 1.00 75.00 C ATOM 315 CG HIS A 19 -3.377 9.417 -11.507 1.00 75.00 C ATOM 316 ND1 HIS A 19 -3.919 9.061 -12.721 1.00 75.00 N ATOM 317 CD2 HIS A 19 -2.637 10.533 -11.745 1.00 75.00 C ATOM 318 CE1 HIS A 19 -3.530 9.914 -13.646 1.00 75.00 C ATOM 319 NE2 HIS A 19 -2.753 10.818 -13.079 1.00 75.00 N ATOM 0 H HIS A 19 -3.755 7.598 -7.967 1.00 50.00 H new ATOM 0 HA HIS A 19 -2.840 10.160 -8.953 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -2.745 7.913 -10.149 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -4.482 8.021 -10.350 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -2.065 11.090 -11.018 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -3.801 9.880 -14.691 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -2.310 11.602 -13.558 1.00 75.00 H new ATOM 328 N GLN A 20 -4.908 11.527 -8.560 1.00 75.00 N ATOM 329 CA GLN A 20 -6.084 12.372 -8.296 1.00 75.00 C ATOM 330 C GLN A 20 -6.960 12.509 -9.555 1.00 75.00 C ATOM 331 O GLN A 20 -8.118 12.064 -9.577 1.00 75.00 O ATOM 332 CB GLN A 20 -5.629 13.752 -7.744 1.00 75.00 C ATOM 333 CG GLN A 20 -4.767 13.662 -6.455 1.00 75.00 C ATOM 334 CD GLN A 20 -5.535 13.198 -5.197 1.00 75.00 C ATOM 335 OE1 GLN A 20 -6.515 12.447 -5.258 1.00 75.00 O ATOM 336 NE2 GLN A 20 -5.068 13.618 -4.032 1.00 75.00 N ATOM 0 H GLN A 20 -4.020 12.022 -8.475 1.00 75.00 H new ATOM 0 HA GLN A 20 -6.703 11.895 -7.536 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -5.059 14.270 -8.515 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -6.511 14.358 -7.538 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -3.941 12.974 -6.634 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -4.330 14.641 -6.257 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -4.258 14.237 -4.001 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -5.518 13.322 -3.166 1.00 75.00 H new ATOM 345 N THR A 21 -6.375 13.094 -10.608 1.00 75.00 N ATOM 346 CA THR A 21 -6.991 13.186 -11.948 1.00 75.00 C ATOM 347 C THR A 21 -5.907 12.944 -13.019 1.00 75.00 C ATOM 348 O THR A 21 -4.734 12.784 -12.684 1.00 75.00 O ATOM 349 CB THR A 21 -7.698 14.572 -12.187 1.00 75.00 C ATOM 350 OG1 THR A 21 -6.771 15.644 -11.963 1.00 75.00 O ATOM 351 CG2 THR A 21 -8.938 14.777 -11.299 1.00 75.00 C ATOM 0 H THR A 21 -5.451 13.523 -10.558 1.00 75.00 H new ATOM 0 HA THR A 21 -7.765 12.422 -12.018 1.00 75.00 H new ATOM 0 HB THR A 21 -8.037 14.572 -13.223 1.00 75.00 H new ATOM 0 HG1 THR A 21 -7.220 16.502 -12.116 1.00 75.00 H new ATOM 0 HG21 THR A 21 -9.380 15.750 -11.511 1.00 75.00 H new ATOM 0 HG22 THR A 21 -9.667 13.994 -11.506 1.00 75.00 H new ATOM 0 HG23 THR A 21 -8.646 14.732 -10.250 1.00 75.00 H new ATOM 359 N LYS A 22 -6.310 12.898 -14.302 1.00 75.00 N ATOM 360 CA LYS A 22 -5.371 12.754 -15.438 1.00 75.00 C ATOM 361 C LYS A 22 -4.472 14.005 -15.568 1.00 75.00 C ATOM 362 O LYS A 22 -3.400 13.949 -16.175 1.00 75.00 O ATOM 363 CB LYS A 22 -6.157 12.498 -16.753 1.00 75.00 C ATOM 364 CG LYS A 22 -6.990 11.191 -16.760 1.00 75.00 C ATOM 365 CD LYS A 22 -7.825 11.032 -18.052 1.00 75.00 C ATOM 366 CE LYS A 22 -8.711 9.774 -18.040 1.00 75.00 C ATOM 367 NZ LYS A 22 -7.914 8.520 -17.987 1.00 75.00 N ATOM 0 H LYS A 22 -7.289 12.959 -14.583 1.00 75.00 H new ATOM 0 HA LYS A 22 -4.725 11.897 -15.249 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -6.825 13.341 -16.932 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -5.451 12.469 -17.583 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -6.321 10.337 -16.655 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -7.656 11.183 -15.897 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -8.454 11.912 -18.183 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -7.154 10.990 -18.910 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -9.380 9.812 -17.181 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -9.338 9.766 -18.932 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -8.553 7.701 -18.032 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -7.257 8.492 -18.793 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -7.374 8.489 -17.099 1.00 75.00 H new ATOM 381 N ASN A 23 -4.945 15.133 -15.006 1.00 75.00 N ATOM 382 CA ASN A 23 -4.164 16.375 -14.902 1.00 75.00 C ATOM 383 C ASN A 23 -3.256 16.312 -13.661 1.00 50.00 C ATOM 384 O ASN A 23 -2.031 16.395 -13.773 1.00 50.00 O ATOM 385 CB ASN A 23 -5.112 17.608 -14.842 1.00 50.00 C ATOM 386 CG ASN A 23 -4.369 18.945 -14.700 1.00 75.00 C ATOM 387 OD1 ASN A 23 -4.139 19.429 -13.589 1.00 75.00 O ATOM 388 ND2 ASN A 23 -3.983 19.548 -15.817 1.00 75.00 N ATOM 0 H ASN A 23 -5.882 15.207 -14.611 1.00 75.00 H new ATOM 0 HA ASN A 23 -3.536 16.481 -15.786 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -5.720 17.633 -15.746 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -5.796 17.490 -14.001 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -3.482 20.435 -15.771 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -4.187 19.124 -16.722 1.00 75.00 H new ATOM 395 N LEU A 24 -3.876 16.131 -12.481 1.00 10.00 N ATOM 396 CA LEU A 24 -3.168 16.131 -11.192 1.00 50.00 C ATOM 397 C LEU A 24 -2.379 14.830 -11.007 1.00 50.00 C ATOM 398 O LEU A 24 -2.969 13.748 -10.868 1.00 50.00 O ATOM 399 CB LEU A 24 -4.166 16.337 -10.017 1.00 50.00 C ATOM 400 CG LEU A 24 -4.934 17.698 -9.992 1.00 75.00 C ATOM 401 CD1 LEU A 24 -5.893 17.781 -8.780 1.00 75.00 C ATOM 402 CD2 LEU A 24 -3.958 18.889 -10.022 1.00 75.00 C ATOM 0 H LEU A 24 -4.881 15.981 -12.396 1.00 10.00 H new ATOM 0 HA LEU A 24 -2.462 16.962 -11.192 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -4.899 15.531 -10.045 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -3.618 16.236 -9.080 1.00 50.00 H new ATOM 0 HG LEU A 24 -5.544 17.751 -10.894 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -6.412 18.740 -8.792 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -6.622 16.973 -8.837 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -5.321 17.689 -7.857 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -4.522 19.822 -10.004 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -3.302 18.844 -9.152 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -3.358 18.845 -10.931 1.00 75.00 H new ATOM 414 N GLU A 25 -1.042 14.969 -10.991 1.00 50.00 N ATOM 415 CA GLU A 25 -0.086 13.860 -10.821 1.00 10.00 C ATOM 416 C GLU A 25 -0.299 13.116 -9.463 1.00 10.00 C ATOM 417 O GLU A 25 -0.893 13.682 -8.537 1.00 50.00 O ATOM 418 CB GLU A 25 1.371 14.404 -10.963 1.00 50.00 C ATOM 419 CG GLU A 25 1.703 14.959 -12.366 1.00 50.00 C ATOM 420 CD GLU A 25 3.197 15.268 -12.576 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.002 14.318 -12.634 1.00 75.00 O ATOM 422 OE2 GLU A 25 3.578 16.450 -12.695 1.00 75.00 O ATOM 0 H GLU A 25 -0.586 15.875 -11.098 1.00 50.00 H new ATOM 0 HA GLU A 25 -0.261 13.122 -11.604 1.00 10.00 H new ATOM 0 HB2 GLU A 25 1.527 15.192 -10.226 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.071 13.603 -10.726 1.00 50.00 H new ATOM 0 HG2 GLU A 25 1.382 14.237 -13.117 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.127 15.869 -12.532 1.00 50.00 H new ATOM 429 N PRO A 26 0.154 11.815 -9.339 1.00 10.00 N ATOM 430 CA PRO A 26 -0.125 10.963 -8.144 1.00 50.00 C ATOM 431 C PRO A 26 0.375 11.569 -6.803 1.00 10.00 C ATOM 432 O PRO A 26 1.549 11.924 -6.660 1.00 50.00 O ATOM 433 CB PRO A 26 0.604 9.628 -8.482 1.00 50.00 C ATOM 434 CG PRO A 26 1.614 9.981 -9.531 1.00 50.00 C ATOM 435 CD PRO A 26 0.952 11.058 -10.351 1.00 50.00 C ATOM 0 HA PRO A 26 -1.196 10.850 -7.975 1.00 50.00 H new ATOM 0 HB2 PRO A 26 1.085 9.209 -7.599 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -0.098 8.879 -8.849 1.00 50.00 H new ATOM 0 HG2 PRO A 26 2.542 10.338 -9.084 1.00 50.00 H new ATOM 0 HG3 PRO A 26 1.868 9.116 -10.144 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.685 11.696 -10.845 1.00 50.00 H new ATOM 0 HD3 PRO A 26 0.318 10.638 -11.131 1.00 50.00 H new ATOM 443 N ARG A 27 -0.556 11.705 -5.847 1.00 10.00 N ATOM 444 CA ARG A 27 -0.280 12.142 -4.470 1.00 10.00 C ATOM 445 C ARG A 27 -0.506 10.958 -3.505 1.00 10.00 C ATOM 446 O ARG A 27 -1.575 10.343 -3.528 1.00 50.00 O ATOM 447 CB ARG A 27 -1.213 13.328 -4.109 1.00 50.00 C ATOM 448 CG ARG A 27 -1.022 13.887 -2.680 1.00 50.00 C ATOM 449 CD ARG A 27 -1.913 15.108 -2.392 1.00 50.00 C ATOM 450 NE ARG A 27 -1.678 15.652 -1.044 1.00 50.00 N ATOM 451 CZ ARG A 27 -1.732 16.953 -0.710 1.00 75.00 C ATOM 452 NH1 ARG A 27 -2.018 17.888 -1.622 1.00 75.00 N ATOM 453 NH2 ARG A 27 -1.488 17.308 0.542 1.00 75.00 N ATOM 0 H ARG A 27 -1.543 11.510 -6.013 1.00 10.00 H new ATOM 0 HA ARG A 27 0.755 12.473 -4.383 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.048 14.133 -4.825 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.248 13.006 -4.224 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -1.243 13.103 -1.956 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.023 14.165 -2.540 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -1.720 15.882 -3.135 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -2.961 14.825 -2.492 1.00 50.00 H new ATOM 0 HE ARG A 27 -1.456 14.987 -0.303 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -2.199 17.619 -2.589 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -2.055 18.871 -1.351 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -1.263 16.598 1.239 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -1.525 18.292 0.810 1.00 75.00 H new ATOM 467 N TRP A 28 0.494 10.657 -2.659 1.00 10.00 N ATOM 468 CA TRP A 28 0.446 9.526 -1.703 1.00 10.00 C ATOM 469 C TRP A 28 0.177 10.004 -0.264 1.00 10.00 C ATOM 470 O TRP A 28 0.338 11.185 0.061 1.00 50.00 O ATOM 471 CB TRP A 28 1.767 8.691 -1.767 1.00 50.00 C ATOM 472 CG TRP A 28 3.034 9.488 -1.540 1.00 50.00 C ATOM 473 CD1 TRP A 28 3.819 10.070 -2.496 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.655 9.794 -0.283 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.875 10.713 -1.911 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.798 10.555 -0.556 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.351 9.494 1.048 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.638 11.023 0.445 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.184 9.957 2.045 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.319 10.713 1.739 1.00 50.00 C ATOM 0 H TRP A 28 1.363 11.190 -2.615 1.00 10.00 H new ATOM 0 HA TRP A 28 -0.386 8.886 -1.997 1.00 10.00 H new ATOM 0 HB2 TRP A 28 1.715 7.898 -1.021 1.00 50.00 H new ATOM 0 HB3 TRP A 28 1.828 8.208 -2.742 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.632 10.028 -3.559 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.603 11.228 -2.407 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.477 8.908 1.292 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.513 11.611 0.211 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.956 9.732 3.076 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.956 11.059 2.539 1.00 50.00 H new ATOM 491 N LYS A 29 -0.225 9.043 0.592 1.00 10.00 N ATOM 492 CA LYS A 29 -0.399 9.226 2.052 1.00 10.00 C ATOM 493 C LYS A 29 0.303 8.064 2.781 1.00 10.00 C ATOM 494 O LYS A 29 0.566 7.024 2.166 1.00 50.00 O ATOM 495 CB LYS A 29 -1.916 9.272 2.423 1.00 50.00 C ATOM 496 CG LYS A 29 -2.692 10.448 1.790 1.00 50.00 C ATOM 497 CD LYS A 29 -4.179 10.471 2.199 1.00 50.00 C ATOM 498 CE LYS A 29 -4.937 11.655 1.584 1.00 50.00 C ATOM 499 NZ LYS A 29 -6.363 11.683 2.009 1.00 75.00 N ATOM 0 H LYS A 29 -0.443 8.096 0.283 1.00 10.00 H new ATOM 0 HA LYS A 29 0.045 10.173 2.359 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.382 8.337 2.113 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.011 9.332 3.507 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.224 11.387 2.085 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.619 10.383 0.704 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -4.653 9.540 1.889 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.253 10.520 3.285 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.453 12.587 1.876 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -4.883 11.595 0.497 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -6.840 12.498 1.572 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -6.832 10.805 1.708 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -6.415 11.766 3.044 1.00 75.00 H new ATOM 513 N GLY A 30 0.602 8.236 4.083 1.00 10.00 N ATOM 514 CA GLY A 30 1.255 7.193 4.871 1.00 10.00 C ATOM 515 C GLY A 30 1.379 7.558 6.356 1.00 10.00 C ATOM 516 O GLY A 30 0.869 8.601 6.771 1.00 50.00 O ATOM 0 H GLY A 30 0.399 9.089 4.604 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.691 6.265 4.776 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.248 7.005 4.464 1.00 10.00 H new ATOM 520 N PRO A 31 2.047 6.708 7.203 1.00 10.00 N ATOM 521 CA PRO A 31 2.548 5.368 6.814 1.00 10.00 C ATOM 522 C PRO A 31 1.486 4.250 7.025 1.00 10.00 C ATOM 523 O PRO A 31 0.865 4.141 8.094 1.00 50.00 O ATOM 524 CB PRO A 31 3.769 5.194 7.751 1.00 50.00 C ATOM 525 CG PRO A 31 3.408 5.937 9.012 1.00 50.00 C ATOM 526 CD PRO A 31 2.413 7.028 8.620 1.00 50.00 C ATOM 0 HA PRO A 31 2.793 5.291 5.755 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.961 4.141 7.956 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.673 5.601 7.299 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.969 5.261 9.746 1.00 50.00 H new ATOM 0 HG3 PRO A 31 4.296 6.372 9.471 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.537 7.018 9.268 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.858 8.020 8.701 1.00 50.00 H new ATOM 534 N TYR A 32 1.253 3.464 5.970 1.00 10.00 N ATOM 535 CA TYR A 32 0.388 2.270 6.005 1.00 10.00 C ATOM 536 C TYR A 32 1.235 1.012 6.276 1.00 10.00 C ATOM 537 O TYR A 32 2.462 1.097 6.376 1.00 50.00 O ATOM 538 CB TYR A 32 -0.357 2.137 4.656 1.00 50.00 C ATOM 539 CG TYR A 32 -1.418 3.216 4.409 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.062 4.495 3.972 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.780 2.956 4.600 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.018 5.468 3.738 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.739 3.928 4.364 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.351 5.184 3.932 1.00 50.00 C ATOM 545 OH TYR A 32 -4.308 6.156 3.696 1.00 50.00 O ATOM 0 H TYR A 32 1.663 3.637 5.052 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.342 2.374 6.808 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.373 2.170 3.847 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.835 1.158 4.614 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.020 4.729 3.814 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.090 1.978 4.938 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.718 6.450 3.403 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.785 3.706 4.517 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.198 5.790 3.881 1.00 50.00 H new ATOM 555 N THR A 33 0.558 -0.150 6.408 1.00 10.00 N ATOM 556 CA THR A 33 1.207 -1.454 6.640 1.00 10.00 C ATOM 557 C THR A 33 0.496 -2.552 5.825 1.00 10.00 C ATOM 558 O THR A 33 -0.691 -2.814 6.050 1.00 50.00 O ATOM 559 CB THR A 33 1.211 -1.853 8.168 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.113 -1.738 8.726 1.00 50.00 O ATOM 561 CG2 THR A 33 2.201 -1.002 8.996 1.00 50.00 C ATOM 0 H THR A 33 -0.459 -0.207 6.356 1.00 10.00 H new ATOM 0 HA THR A 33 2.243 -1.361 6.315 1.00 10.00 H new ATOM 0 HB THR A 33 1.541 -2.891 8.221 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.770 -2.070 8.079 1.00 50.00 H new ATOM 0 HG21 THR A 33 2.166 -1.315 10.039 1.00 50.00 H new ATOM 0 HG22 THR A 33 3.211 -1.140 8.610 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.925 0.050 8.924 1.00 50.00 H new ATOM 569 N VAL A 34 1.212 -3.165 4.858 1.00 10.00 N ATOM 570 CA VAL A 34 0.722 -4.342 4.132 1.00 10.00 C ATOM 571 C VAL A 34 0.759 -5.566 5.070 1.00 10.00 C ATOM 572 O VAL A 34 1.745 -5.788 5.809 1.00 50.00 O ATOM 573 CB VAL A 34 1.556 -4.648 2.827 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.980 -5.847 2.044 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.660 -3.411 1.913 1.00 50.00 C ATOM 0 H VAL A 34 2.139 -2.856 4.565 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.299 -4.129 3.814 1.00 10.00 H new ATOM 0 HB VAL A 34 2.561 -4.912 3.157 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.583 -6.024 1.153 1.00 50.00 H new ATOM 0 HG12 VAL A 34 0.996 -6.735 2.675 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.047 -5.630 1.750 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.241 -3.662 1.026 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.661 -3.094 1.614 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.152 -2.601 2.452 1.00 50.00 H new ATOM 585 N LEU A 35 -0.350 -6.310 5.061 1.00 10.00 N ATOM 586 CA LEU A 35 -0.513 -7.554 5.817 1.00 10.00 C ATOM 587 C LEU A 35 -0.232 -8.761 4.905 1.00 10.00 C ATOM 588 O LEU A 35 0.473 -9.700 5.292 1.00 50.00 O ATOM 589 CB LEU A 35 -1.949 -7.620 6.406 1.00 50.00 C ATOM 590 CG LEU A 35 -2.354 -6.425 7.328 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.803 -6.579 7.844 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.359 -6.240 8.504 1.00 50.00 C ATOM 0 H LEU A 35 -1.176 -6.059 4.517 1.00 10.00 H new ATOM 0 HA LEU A 35 0.199 -7.579 6.642 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.659 -7.676 5.581 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.047 -8.545 6.975 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.309 -5.522 6.720 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -4.054 -5.732 8.482 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.489 -6.611 6.998 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.889 -7.503 8.416 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.677 -5.399 9.121 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.338 -7.146 9.109 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.362 -6.044 8.110 1.00 50.00 H new ATOM 604 N LEU A 36 -0.762 -8.704 3.669 1.00 10.00 N ATOM 605 CA LEU A 36 -0.672 -9.823 2.705 1.00 10.00 C ATOM 606 C LEU A 36 -0.447 -9.270 1.286 1.00 10.00 C ATOM 607 O LEU A 36 -1.026 -8.241 0.930 1.00 50.00 O ATOM 608 CB LEU A 36 -1.983 -10.661 2.754 1.00 50.00 C ATOM 609 CG LEU A 36 -2.034 -11.947 1.865 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.074 -13.034 2.394 1.00 50.00 C ATOM 611 CD2 LEU A 36 -3.478 -12.479 1.740 1.00 50.00 C ATOM 0 H LEU A 36 -1.261 -7.890 3.310 1.00 10.00 H new ATOM 0 HA LEU A 36 0.169 -10.464 2.970 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.158 -10.956 3.788 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -2.810 -10.014 2.463 1.00 50.00 H new ATOM 0 HG LEU A 36 -1.696 -11.674 0.865 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -1.133 -13.914 1.754 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.053 -12.651 2.391 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.356 -13.305 3.411 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -3.484 -13.373 1.117 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -3.862 -12.724 2.730 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.109 -11.716 1.285 1.00 50.00 H new ATOM 623 N THR A 37 0.396 -9.939 0.479 1.00 10.00 N ATOM 624 CA THR A 37 0.605 -9.570 -0.933 1.00 10.00 C ATOM 625 C THR A 37 0.049 -10.677 -1.841 1.00 10.00 C ATOM 626 O THR A 37 0.373 -11.855 -1.664 1.00 50.00 O ATOM 627 CB THR A 37 2.123 -9.314 -1.260 1.00 50.00 C ATOM 628 OG1 THR A 37 2.895 -10.507 -1.084 1.00 50.00 O ATOM 629 CG2 THR A 37 2.715 -8.207 -0.381 1.00 50.00 C ATOM 0 H THR A 37 0.946 -10.742 0.783 1.00 10.00 H new ATOM 0 HA THR A 37 0.073 -8.637 -1.116 1.00 10.00 H new ATOM 0 HB THR A 37 2.168 -8.999 -2.302 1.00 50.00 H new ATOM 0 HG1 THR A 37 2.368 -11.283 -1.369 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.764 -8.061 -0.638 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.168 -7.279 -0.547 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.634 -8.493 0.668 1.00 50.00 H new ATOM 637 N THR A 38 -0.796 -10.288 -2.808 1.00 10.00 N ATOM 638 CA THR A 38 -1.408 -11.203 -3.789 1.00 10.00 C ATOM 639 C THR A 38 -1.133 -10.671 -5.231 1.00 10.00 C ATOM 640 O THR A 38 -0.735 -9.505 -5.384 1.00 50.00 O ATOM 641 CB THR A 38 -2.957 -11.362 -3.500 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.605 -10.086 -3.460 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.236 -12.106 -2.177 1.00 50.00 C ATOM 0 H THR A 38 -1.079 -9.316 -2.934 1.00 10.00 H new ATOM 0 HA THR A 38 -0.963 -12.194 -3.702 1.00 10.00 H new ATOM 0 HB THR A 38 -3.359 -11.957 -4.320 1.00 50.00 H new ATOM 0 HG1 THR A 38 -2.954 -9.382 -3.662 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.312 -12.188 -2.026 1.00 50.00 H new ATOM 0 HG22 THR A 38 -2.798 -13.103 -2.221 1.00 50.00 H new ATOM 0 HG23 THR A 38 -2.795 -11.552 -1.348 1.00 50.00 H new ATOM 651 N PRO A 39 -1.288 -11.526 -6.304 1.00 10.00 N ATOM 652 CA PRO A 39 -1.149 -11.100 -7.722 1.00 10.00 C ATOM 653 C PRO A 39 -1.841 -9.745 -8.044 1.00 10.00 C ATOM 654 O PRO A 39 -3.057 -9.610 -7.858 1.00 50.00 O ATOM 655 CB PRO A 39 -1.824 -12.264 -8.483 1.00 50.00 C ATOM 656 CG PRO A 39 -1.482 -13.466 -7.661 1.00 50.00 C ATOM 657 CD PRO A 39 -1.552 -12.998 -6.218 1.00 50.00 C ATOM 0 HA PRO A 39 -0.109 -10.921 -7.993 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -2.902 -12.123 -8.557 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -1.443 -12.352 -9.500 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -2.183 -14.280 -7.845 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -0.488 -13.840 -7.905 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.528 -13.204 -5.778 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -0.810 -13.502 -5.598 1.00 50.00 H new ATOM 665 N THR A 40 -0.998 -8.745 -8.401 1.00 10.00 N ATOM 666 CA THR A 40 -1.370 -7.374 -8.865 1.00 10.00 C ATOM 667 C THR A 40 -2.130 -6.518 -7.806 1.00 10.00 C ATOM 668 O THR A 40 -2.534 -5.381 -8.093 1.00 50.00 O ATOM 669 CB THR A 40 -2.131 -7.382 -10.264 1.00 50.00 C ATOM 670 OG1 THR A 40 -1.926 -6.133 -10.940 1.00 50.00 O ATOM 671 CG2 THR A 40 -3.662 -7.614 -10.175 1.00 50.00 C ATOM 0 H THR A 40 0.013 -8.874 -8.374 1.00 10.00 H new ATOM 0 HA THR A 40 -0.413 -6.875 -9.014 1.00 10.00 H new ATOM 0 HB THR A 40 -1.705 -8.227 -10.805 1.00 50.00 H new ATOM 0 HG1 THR A 40 -2.719 -5.568 -10.831 1.00 50.00 H new ATOM 0 HG21 THR A 40 -4.091 -7.603 -11.177 1.00 50.00 H new ATOM 0 HG22 THR A 40 -3.857 -8.579 -9.708 1.00 50.00 H new ATOM 0 HG23 THR A 40 -4.116 -6.823 -9.577 1.00 50.00 H new ATOM 679 N ALA A 41 -2.269 -7.037 -6.568 1.00 10.00 N ATOM 680 CA ALA A 41 -3.092 -6.395 -5.522 1.00 10.00 C ATOM 681 C ALA A 41 -2.501 -6.686 -4.137 1.00 10.00 C ATOM 682 O ALA A 41 -2.099 -7.813 -3.854 1.00 50.00 O ATOM 683 CB ALA A 41 -4.542 -6.895 -5.624 1.00 50.00 C ATOM 0 H ALA A 41 -1.820 -7.902 -6.268 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.091 -5.315 -5.669 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.146 -6.420 -4.851 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.945 -6.644 -6.605 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.564 -7.976 -5.488 1.00 50.00 H new ATOM 689 N LEU A 42 -2.419 -5.658 -3.285 1.00 10.00 N ATOM 690 CA LEU A 42 -1.803 -5.768 -1.952 1.00 10.00 C ATOM 691 C LEU A 42 -2.853 -5.505 -0.879 1.00 10.00 C ATOM 692 O LEU A 42 -3.484 -4.447 -0.868 1.00 50.00 O ATOM 693 CB LEU A 42 -0.630 -4.753 -1.811 1.00 50.00 C ATOM 694 CG LEU A 42 0.481 -4.842 -2.903 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.669 -3.923 -2.568 1.00 50.00 C ATOM 696 CD2 LEU A 42 0.953 -6.288 -3.129 1.00 50.00 C ATOM 0 H LEU A 42 -2.776 -4.726 -3.497 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.406 -6.776 -1.828 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -1.044 -3.745 -1.822 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.166 -4.896 -0.835 1.00 50.00 H new ATOM 0 HG LEU A 42 0.037 -4.496 -3.836 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.426 -4.008 -3.348 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.325 -2.891 -2.507 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.099 -4.219 -1.611 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.726 -6.302 -3.897 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.357 -6.688 -2.199 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.110 -6.900 -3.451 1.00 50.00 H new ATOM 708 N LYS A 43 -2.999 -6.456 0.038 1.00 10.00 N ATOM 709 CA LYS A 43 -3.920 -6.328 1.161 1.00 10.00 C ATOM 710 C LYS A 43 -3.215 -5.542 2.274 1.00 10.00 C ATOM 711 O LYS A 43 -2.289 -6.049 2.921 1.00 50.00 O ATOM 712 CB LYS A 43 -4.334 -7.738 1.658 1.00 50.00 C ATOM 713 CG LYS A 43 -5.169 -7.752 2.964 1.00 50.00 C ATOM 714 CD LYS A 43 -5.613 -9.179 3.355 1.00 50.00 C ATOM 715 CE LYS A 43 -6.486 -9.842 2.277 1.00 50.00 C ATOM 716 NZ LYS A 43 -7.699 -9.038 1.997 1.00 75.00 N ATOM 0 H LYS A 43 -2.483 -7.336 0.023 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.823 -5.797 0.859 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -4.907 -8.230 0.872 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.433 -8.331 1.814 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -4.581 -7.321 3.774 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.049 -7.121 2.838 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -4.731 -9.794 3.532 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -6.167 -9.139 4.293 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -5.908 -9.963 1.361 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -6.776 -10.840 2.604 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.363 -9.598 1.425 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.154 -8.772 2.894 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -7.433 -8.178 1.475 1.00 75.00 H new ATOM 730 N VAL A 44 -3.666 -4.295 2.453 1.00 10.00 N ATOM 731 CA VAL A 44 -3.135 -3.344 3.436 1.00 10.00 C ATOM 732 C VAL A 44 -4.170 -3.192 4.567 1.00 10.00 C ATOM 733 O VAL A 44 -5.375 -3.352 4.331 1.00 50.00 O ATOM 734 CB VAL A 44 -2.853 -1.942 2.750 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.219 -0.940 3.738 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.971 -2.108 1.489 1.00 50.00 C ATOM 0 H VAL A 44 -4.433 -3.909 1.902 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.193 -3.712 3.842 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.815 -1.532 2.441 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.041 0.008 3.231 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.895 -0.781 4.578 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.273 -1.339 4.104 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.793 -1.132 1.038 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -1.018 -2.558 1.768 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.480 -2.752 0.771 1.00 50.00 H new ATOM 746 N ASP A 45 -3.701 -2.911 5.792 1.00 10.00 N ATOM 747 CA ASP A 45 -4.580 -2.610 6.934 1.00 10.00 C ATOM 748 C ASP A 45 -5.268 -1.243 6.728 1.00 10.00 C ATOM 749 O ASP A 45 -4.646 -0.293 6.230 1.00 50.00 O ATOM 750 CB ASP A 45 -3.746 -2.619 8.231 1.00 50.00 C ATOM 751 CG ASP A 45 -4.555 -2.250 9.488 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.384 -3.069 9.937 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.354 -1.153 10.056 1.00 50.00 O ATOM 0 H ASP A 45 -2.707 -2.886 6.019 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.359 -3.369 7.010 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.312 -3.610 8.367 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.917 -1.919 8.125 1.00 50.00 H new ATOM 758 N GLY A 46 -6.550 -1.161 7.111 1.00 10.00 N ATOM 759 CA GLY A 46 -7.356 0.045 6.902 1.00 10.00 C ATOM 760 C GLY A 46 -8.074 0.056 5.561 1.00 10.00 C ATOM 761 O GLY A 46 -8.691 1.060 5.198 1.00 50.00 O ATOM 0 H GLY A 46 -7.051 -1.922 7.570 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.092 0.127 7.702 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -6.712 0.922 6.970 1.00 10.00 H new ATOM 765 N ILE A 47 -7.958 -1.057 4.801 1.00 10.00 N ATOM 766 CA ILE A 47 -8.509 -1.191 3.435 1.00 10.00 C ATOM 767 C ILE A 47 -9.584 -2.298 3.398 1.00 10.00 C ATOM 768 O ILE A 47 -9.505 -3.265 4.167 1.00 50.00 O ATOM 769 CB ILE A 47 -7.340 -1.510 2.416 1.00 50.00 C ATOM 770 CG1 ILE A 47 -6.247 -0.384 2.454 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.858 -1.743 0.971 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.745 1.022 2.137 1.00 50.00 C ATOM 0 H ILE A 47 -7.474 -1.895 5.123 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.979 -0.252 3.145 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.883 -2.446 2.736 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.793 -0.375 3.445 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.460 -0.641 1.745 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -7.016 -1.958 0.313 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.549 -2.586 0.964 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.373 -0.849 0.621 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.912 1.724 2.190 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -7.171 1.040 1.134 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.508 1.309 2.860 1.00 50.00 H new ATOM 784 N ALA A 48 -10.570 -2.143 2.481 1.00 10.00 N ATOM 785 CA ALA A 48 -11.704 -3.075 2.324 1.00 10.00 C ATOM 786 C ALA A 48 -11.237 -4.523 2.049 1.00 10.00 C ATOM 787 O ALA A 48 -11.647 -5.457 2.750 1.00 50.00 O ATOM 788 CB ALA A 48 -12.631 -2.576 1.196 1.00 50.00 C ATOM 0 H ALA A 48 -10.597 -1.361 1.827 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.254 -3.096 3.265 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.468 -3.265 1.081 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -13.009 -1.585 1.447 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.072 -2.525 0.262 1.00 50.00 H new ATOM 794 N ALA A 49 -10.352 -4.690 1.044 1.00 10.00 N ATOM 795 CA ALA A 49 -9.813 -6.013 0.676 1.00 10.00 C ATOM 796 C ALA A 49 -8.394 -5.896 0.091 1.00 10.00 C ATOM 797 O ALA A 49 -7.454 -6.509 0.605 1.00 50.00 O ATOM 798 CB ALA A 49 -10.766 -6.711 -0.310 1.00 50.00 C ATOM 0 H ALA A 49 -9.996 -3.923 0.473 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.739 -6.620 1.578 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.362 -7.687 -0.577 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.743 -6.838 0.156 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.869 -6.103 -1.209 1.00 50.00 H new ATOM 804 N TRP A 50 -8.247 -5.097 -0.985 1.00 10.00 N ATOM 805 CA TRP A 50 -6.952 -4.921 -1.691 1.00 10.00 C ATOM 806 C TRP A 50 -6.770 -3.475 -2.176 1.00 10.00 C ATOM 807 O TRP A 50 -7.740 -2.732 -2.342 1.00 50.00 O ATOM 808 CB TRP A 50 -6.828 -5.866 -2.919 1.00 50.00 C ATOM 809 CG TRP A 50 -6.839 -7.352 -2.622 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.805 -8.111 -2.148 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.930 -8.260 -2.840 1.00 50.00 C ATOM 812 NE1 TRP A 50 -6.196 -9.425 -2.042 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.492 -9.539 -2.460 1.00 50.00 C ATOM 814 CE3 TRP A 50 -9.235 -8.105 -3.317 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -8.318 -10.658 -2.546 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -10.055 -9.213 -3.394 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.593 -10.478 -3.011 1.00 50.00 C ATOM 0 H TRP A 50 -9.012 -4.558 -1.390 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.177 -5.168 -0.966 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.647 -5.647 -3.604 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.902 -5.628 -3.443 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.825 -7.734 -1.894 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.613 -10.191 -1.706 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.596 -7.133 -3.621 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -7.964 -11.636 -2.255 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -11.067 -9.102 -3.755 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -10.255 -11.328 -3.084 1.00 50.00 H new ATOM 828 N ILE A 51 -5.501 -3.107 -2.403 1.00 10.00 N ATOM 829 CA ILE A 51 -5.093 -1.904 -3.143 1.00 10.00 C ATOM 830 C ILE A 51 -4.218 -2.376 -4.307 1.00 10.00 C ATOM 831 O ILE A 51 -3.170 -2.984 -4.064 1.00 50.00 O ATOM 832 CB ILE A 51 -4.275 -0.889 -2.236 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.161 -0.289 -1.105 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.639 0.244 -3.078 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.319 0.570 -1.594 1.00 50.00 C ATOM 0 H ILE A 51 -4.708 -3.653 -2.067 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.979 -1.370 -3.487 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.471 -1.460 -1.772 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.560 -1.105 -0.503 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.532 0.312 -0.449 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.088 0.919 -2.423 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.958 -0.187 -3.812 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.423 0.799 -3.593 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.881 0.945 -0.738 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.931 1.410 -2.170 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.976 -0.029 -2.224 1.00 50.00 H new ATOM 847 N HIS A 52 -4.647 -2.110 -5.559 1.00 10.00 N ATOM 848 CA HIS A 52 -3.909 -2.522 -6.767 1.00 10.00 C ATOM 849 C HIS A 52 -2.482 -1.929 -6.693 1.00 10.00 C ATOM 850 O HIS A 52 -2.345 -0.718 -6.527 1.00 50.00 O ATOM 851 CB HIS A 52 -4.655 -2.032 -8.038 1.00 50.00 C ATOM 852 CG HIS A 52 -4.154 -2.628 -9.326 1.00 50.00 C ATOM 853 ND1 HIS A 52 -3.031 -2.180 -9.985 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.631 -3.658 -10.069 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.846 -2.904 -11.069 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.797 -3.805 -11.142 1.00 50.00 N ATOM 0 H HIS A 52 -5.511 -1.606 -5.758 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.844 -3.609 -6.821 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.715 -2.264 -7.933 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.570 -0.947 -8.098 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -5.507 -4.252 -9.853 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -2.044 -2.777 -11.781 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -3.898 -4.502 -11.880 1.00 50.00 H new ATOM 865 N ALA A 53 -1.458 -2.800 -6.852 1.00 10.00 N ATOM 866 CA ALA A 53 -0.053 -2.574 -6.393 1.00 10.00 C ATOM 867 C ALA A 53 0.621 -1.270 -6.895 1.00 10.00 C ATOM 868 O ALA A 53 1.542 -0.766 -6.241 1.00 50.00 O ATOM 869 CB ALA A 53 0.810 -3.811 -6.741 1.00 50.00 C ATOM 0 H ALA A 53 -1.581 -3.702 -7.312 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.119 -2.436 -5.314 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.834 -3.646 -6.406 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.403 -4.691 -6.243 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.802 -3.969 -7.820 1.00 50.00 H new ATOM 875 N ALA A 54 0.149 -0.716 -8.025 1.00 10.00 N ATOM 876 CA ALA A 54 0.679 0.560 -8.576 1.00 10.00 C ATOM 877 C ALA A 54 0.286 1.785 -7.703 1.00 10.00 C ATOM 878 O ALA A 54 0.801 2.891 -7.902 1.00 50.00 O ATOM 879 CB ALA A 54 0.196 0.740 -10.021 1.00 50.00 C ATOM 0 H ALA A 54 -0.600 -1.127 -8.582 1.00 10.00 H new ATOM 0 HA ALA A 54 1.768 0.504 -8.564 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.586 1.676 -10.421 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.552 -0.091 -10.630 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.894 0.764 -10.040 1.00 50.00 H new ATOM 885 N HIS A 55 -0.624 1.557 -6.744 1.00 10.00 N ATOM 886 CA HIS A 55 -1.062 2.551 -5.748 1.00 10.00 C ATOM 887 C HIS A 55 -0.393 2.302 -4.382 1.00 10.00 C ATOM 888 O HIS A 55 -0.862 2.800 -3.361 1.00 50.00 O ATOM 889 CB HIS A 55 -2.609 2.500 -5.587 1.00 50.00 C ATOM 890 CG HIS A 55 -3.391 2.963 -6.781 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.388 4.270 -7.209 1.00 50.00 N ATOM 892 CD2 HIS A 55 -4.230 2.303 -7.612 1.00 50.00 C ATOM 893 CE1 HIS A 55 -4.192 4.393 -8.244 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.717 3.217 -8.511 1.00 50.00 N ATOM 0 H HIS A 55 -1.088 0.655 -6.636 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.764 3.537 -6.104 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.901 1.475 -5.357 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.889 3.112 -4.730 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -2.847 5.026 -6.790 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.472 1.251 -7.574 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.388 5.307 -8.784 1.00 50.00 H new ATOM 903 N VAL A 56 0.700 1.527 -4.364 1.00 10.00 N ATOM 904 CA VAL A 56 1.504 1.280 -3.148 1.00 10.00 C ATOM 905 C VAL A 56 2.989 1.482 -3.491 1.00 10.00 C ATOM 906 O VAL A 56 3.409 1.211 -4.628 1.00 50.00 O ATOM 907 CB VAL A 56 1.281 -0.182 -2.559 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.144 -0.436 -1.301 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.206 -0.458 -2.245 1.00 50.00 C ATOM 0 H VAL A 56 1.057 1.050 -5.192 1.00 10.00 H new ATOM 0 HA VAL A 56 1.184 1.984 -2.380 1.00 10.00 H new ATOM 0 HB VAL A 56 1.600 -0.875 -3.338 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.961 -1.445 -0.932 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.198 -0.328 -1.555 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.882 0.286 -0.528 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.312 -1.467 -1.845 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.563 0.263 -1.510 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.794 -0.366 -3.158 1.00 50.00 H new ATOM 919 N LYS A 57 3.782 1.975 -2.516 1.00 10.00 N ATOM 920 CA LYS A 57 5.240 2.061 -2.641 1.00 10.00 C ATOM 921 C LYS A 57 5.865 1.834 -1.258 1.00 10.00 C ATOM 922 O LYS A 57 5.414 2.435 -0.280 1.00 50.00 O ATOM 923 CB LYS A 57 5.682 3.437 -3.208 1.00 50.00 C ATOM 924 CG LYS A 57 7.138 3.449 -3.728 1.00 50.00 C ATOM 925 CD LYS A 57 7.656 4.862 -4.066 1.00 50.00 C ATOM 926 CE LYS A 57 7.881 5.717 -2.810 1.00 50.00 C ATOM 927 NZ LYS A 57 8.874 5.087 -1.889 1.00 75.00 N ATOM 0 H LYS A 57 3.424 2.322 -1.626 1.00 10.00 H new ATOM 0 HA LYS A 57 5.580 1.297 -3.340 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.012 3.719 -4.020 1.00 50.00 H new ATOM 0 HB3 LYS A 57 5.576 4.193 -2.430 1.00 50.00 H new ATOM 0 HG2 LYS A 57 7.788 3.002 -2.976 1.00 50.00 H new ATOM 0 HG3 LYS A 57 7.203 2.824 -4.618 1.00 50.00 H new ATOM 0 HD2 LYS A 57 8.591 4.781 -4.620 1.00 50.00 H new ATOM 0 HD3 LYS A 57 6.941 5.362 -4.720 1.00 50.00 H new ATOM 0 HE2 LYS A 57 8.231 6.708 -3.101 1.00 50.00 H new ATOM 0 HE3 LYS A 57 6.934 5.854 -2.287 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 9.219 5.797 -1.212 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 8.421 4.306 -1.372 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 9.674 4.718 -2.441 1.00 75.00 H new ATOM 941 N ALA A 58 6.908 0.980 -1.197 1.00 10.00 N ATOM 942 CA ALA A 58 7.599 0.610 0.057 1.00 10.00 C ATOM 943 C ALA A 58 8.219 1.843 0.750 1.00 10.00 C ATOM 944 O ALA A 58 8.726 2.752 0.079 1.00 50.00 O ATOM 945 CB ALA A 58 8.672 -0.452 -0.240 1.00 50.00 C ATOM 0 H ALA A 58 7.297 0.524 -2.022 1.00 10.00 H new ATOM 0 HA ALA A 58 6.864 0.193 0.746 1.00 10.00 H new ATOM 0 HB1 ALA A 58 9.181 -0.724 0.685 1.00 50.00 H new ATOM 0 HB2 ALA A 58 8.200 -1.336 -0.668 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.397 -0.049 -0.948 1.00 50.00 H new ATOM 951 N ALA A 59 8.161 1.861 2.094 1.00 10.00 N ATOM 952 CA ALA A 59 8.629 2.987 2.927 1.00 10.00 C ATOM 953 C ALA A 59 9.560 2.490 4.043 1.00 10.00 C ATOM 954 O ALA A 59 9.425 1.357 4.519 1.00 50.00 O ATOM 955 CB ALA A 59 7.425 3.720 3.537 1.00 50.00 C ATOM 0 H ALA A 59 7.784 1.086 2.640 1.00 10.00 H new ATOM 0 HA ALA A 59 9.189 3.676 2.294 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.777 4.550 4.150 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.790 4.103 2.739 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.853 3.028 4.156 1.00 50.00 H new ATOM 961 N ASP A 60 10.532 3.332 4.425 1.00 10.00 N ATOM 962 CA ASP A 60 11.456 3.051 5.534 1.00 10.00 C ATOM 963 C ASP A 60 10.783 3.496 6.855 1.00 50.00 C ATOM 964 O ASP A 60 10.429 4.675 6.984 1.00 50.00 O ATOM 965 CB ASP A 60 12.817 3.785 5.307 1.00 50.00 C ATOM 966 CG ASP A 60 13.969 3.376 6.269 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.786 2.500 7.139 1.00 50.00 O ATOM 968 OD2 ASP A 60 15.081 3.927 6.137 1.00 75.00 O ATOM 0 H ASP A 60 10.700 4.230 3.972 1.00 10.00 H new ATOM 0 HA ASP A 60 11.672 1.984 5.586 1.00 10.00 H new ATOM 0 HB2 ASP A 60 13.141 3.603 4.282 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.651 4.858 5.403 1.00 50.00 H new ATOM 973 N PRO A 61 10.586 2.560 7.849 1.00 50.00 N ATOM 974 CA PRO A 61 10.074 2.923 9.192 1.00 50.00 C ATOM 975 C PRO A 61 11.037 3.857 9.967 1.00 50.00 C ATOM 976 O PRO A 61 10.619 4.579 10.883 1.00 75.00 O ATOM 977 CB PRO A 61 9.915 1.556 9.912 1.00 75.00 C ATOM 978 CG PRO A 61 9.984 0.508 8.833 1.00 75.00 C ATOM 979 CD PRO A 61 10.835 1.092 7.737 1.00 50.00 C ATOM 0 HA PRO A 61 9.142 3.486 9.130 1.00 50.00 H new ATOM 0 HB2 PRO A 61 10.704 1.409 10.649 1.00 75.00 H new ATOM 0 HB3 PRO A 61 8.966 1.504 10.446 1.00 75.00 H new ATOM 0 HG2 PRO A 61 10.420 -0.416 9.214 1.00 75.00 H new ATOM 0 HG3 PRO A 61 8.988 0.262 8.464 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.889 0.852 7.876 1.00 50.00 H new ATOM 0 HD3 PRO A 61 10.547 0.709 6.758 1.00 50.00 H new ATOM 987 N GLY A 62 12.334 3.815 9.588 1.00 50.00 N ATOM 988 CA GLY A 62 13.388 4.613 10.223 1.00 50.00 C ATOM 989 C GLY A 62 14.145 3.821 11.285 1.00 75.00 C ATOM 990 O GLY A 62 15.377 3.858 11.344 1.00 75.00 O ATOM 0 H GLY A 62 12.672 3.222 8.830 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.088 4.960 9.463 1.00 50.00 H new ATOM 0 HA3 GLY A 62 12.947 5.500 10.678 1.00 50.00 H new ATOM 994 N GLY A 63 13.384 3.089 12.109 1.00 75.00 N ATOM 995 CA GLY A 63 13.934 2.206 13.136 1.00 75.00 C ATOM 996 C GLY A 63 12.993 1.048 13.407 1.00 75.00 C ATOM 997 O GLY A 63 12.766 0.674 14.561 1.00 75.00 O ATOM 0 H GLY A 63 12.364 3.095 12.079 1.00 75.00 H new ATOM 0 HA2 GLY A 63 14.904 1.826 12.814 1.00 75.00 H new ATOM 0 HA3 GLY A 63 14.101 2.768 14.055 1.00 75.00 H new ATOM 1001 N GLY A 64 12.428 0.482 12.317 1.00 75.00 N ATOM 1002 CA GLY A 64 11.465 -0.621 12.406 1.00 75.00 C ATOM 1003 C GLY A 64 12.121 -1.981 12.607 1.00 75.00 C ATOM 1004 O GLY A 64 13.350 -2.067 12.638 1.00 75.00 O ATOM 0 H GLY A 64 12.629 0.779 11.362 1.00 75.00 H new ATOM 0 HA2 GLY A 64 10.780 -0.430 13.232 1.00 75.00 H new ATOM 0 HA3 GLY A 64 10.866 -0.645 11.495 1.00 75.00 H new ATOM 1008 N PRO A 65 11.318 -3.081 12.738 1.00 75.00 N ATOM 1009 CA PRO A 65 11.841 -4.432 13.062 1.00 75.00 C ATOM 1010 C PRO A 65 12.627 -5.068 11.897 1.00 75.00 C ATOM 1011 O PRO A 65 12.592 -4.576 10.761 1.00 75.00 O ATOM 1012 CB PRO A 65 10.553 -5.227 13.377 1.00 75.00 C ATOM 1013 CG PRO A 65 9.491 -4.570 12.553 1.00 75.00 C ATOM 1014 CD PRO A 65 9.836 -3.095 12.559 1.00 75.00 C ATOM 0 HA PRO A 65 12.560 -4.415 13.881 1.00 75.00 H new ATOM 0 HB2 PRO A 65 10.663 -6.279 13.115 1.00 75.00 H new ATOM 0 HB3 PRO A 65 10.312 -5.186 14.439 1.00 75.00 H new ATOM 0 HG2 PRO A 65 9.479 -4.967 11.538 1.00 75.00 H new ATOM 0 HG3 PRO A 65 8.501 -4.744 12.975 1.00 75.00 H new ATOM 0 HD2 PRO A 65 9.540 -2.610 11.629 1.00 75.00 H new ATOM 0 HD3 PRO A 65 9.330 -2.568 13.368 1.00 75.00 H new ATOM 1022 N SER A 66 13.346 -6.161 12.209 1.00 75.00 N ATOM 1023 CA SER A 66 14.111 -6.942 11.220 1.00 75.00 C ATOM 1024 C SER A 66 13.164 -7.659 10.236 1.00 75.00 C ATOM 1025 O SER A 66 13.540 -7.945 9.090 1.00 75.00 O ATOM 1026 CB SER A 66 15.011 -7.971 11.947 1.00 75.00 C ATOM 1027 OG SER A 66 15.859 -8.670 11.036 1.00 75.00 O ATOM 0 H SER A 66 13.413 -6.529 13.158 1.00 75.00 H new ATOM 0 HA SER A 66 14.739 -6.259 10.648 1.00 75.00 H new ATOM 0 HB2 SER A 66 15.621 -7.459 12.691 1.00 75.00 H new ATOM 0 HB3 SER A 66 14.386 -8.685 12.483 1.00 75.00 H new ATOM 0 HG SER A 66 16.413 -9.309 11.530 1.00 75.00 H new ATOM 1033 N SER A 67 11.937 -7.962 10.708 1.00 75.00 N ATOM 1034 CA SER A 67 10.928 -8.706 9.938 1.00 75.00 C ATOM 1035 C SER A 67 9.511 -8.233 10.331 1.00 75.00 C ATOM 1036 O SER A 67 8.761 -7.711 9.497 1.00 75.00 O ATOM 1037 CB SER A 67 11.094 -10.229 10.187 1.00 75.00 C ATOM 1038 OG SER A 67 12.411 -10.679 9.893 1.00 75.00 O ATOM 0 H SER A 67 11.620 -7.694 11.640 1.00 75.00 H new ATOM 0 HA SER A 67 11.069 -8.514 8.874 1.00 75.00 H new ATOM 0 HB2 SER A 67 10.858 -10.454 11.227 1.00 75.00 H new ATOM 0 HB3 SER A 67 10.379 -10.776 9.573 1.00 75.00 H new ATOM 0 HG SER A 67 12.474 -11.642 10.064 1.00 75.00 H new ATOM 1044 N ARG A 68 9.164 -8.417 11.624 1.00 75.00 N ATOM 1045 CA ARG A 68 7.858 -8.004 12.191 1.00 75.00 C ATOM 1046 C ARG A 68 7.987 -7.864 13.727 1.00 75.00 C ATOM 1047 O ARG A 68 8.948 -8.386 14.319 1.00 75.00 O ATOM 1048 CB ARG A 68 6.719 -9.018 11.798 1.00 75.00 C ATOM 1049 CG ARG A 68 6.554 -10.293 12.671 1.00 75.00 C ATOM 1050 CD ARG A 68 7.807 -11.196 12.746 1.00 75.00 C ATOM 1051 NE ARG A 68 8.182 -11.794 11.454 1.00 75.00 N ATOM 1052 CZ ARG A 68 9.094 -12.774 11.296 1.00 75.00 C ATOM 1053 NH1 ARG A 68 9.745 -13.292 12.331 1.00 75.00 N ATOM 1054 NH2 ARG A 68 9.379 -13.207 10.087 1.00 75.00 N ATOM 0 H ARG A 68 9.782 -8.857 12.306 1.00 75.00 H new ATOM 0 HA ARG A 68 7.578 -7.037 11.772 1.00 75.00 H new ATOM 0 HB2 ARG A 68 5.772 -8.479 11.809 1.00 75.00 H new ATOM 0 HB3 ARG A 68 6.893 -9.336 10.770 1.00 75.00 H new ATOM 0 HG2 ARG A 68 6.281 -9.991 13.682 1.00 75.00 H new ATOM 0 HG3 ARG A 68 5.724 -10.880 12.278 1.00 75.00 H new ATOM 0 HD2 ARG A 68 8.645 -10.609 13.122 1.00 75.00 H new ATOM 0 HD3 ARG A 68 7.627 -11.993 13.467 1.00 75.00 H new ATOM 0 HE ARG A 68 7.718 -11.441 10.617 1.00 75.00 H new ATOM 0 HH11 ARG A 68 9.560 -12.949 13.274 1.00 75.00 H new ATOM 0 HH12 ARG A 68 10.430 -14.033 12.183 1.00 75.00 H new ATOM 0 HH21 ARG A 68 8.911 -12.801 9.277 1.00 75.00 H new ATOM 0 HH22 ARG A 68 10.068 -13.948 9.960 1.00 75.00 H new ATOM 1068 N LEU A 69 7.040 -7.145 14.359 1.00 75.00 N ATOM 1069 CA LEU A 69 7.004 -6.993 15.828 1.00 75.00 C ATOM 1070 C LEU A 69 6.363 -8.239 16.472 1.00 75.00 C ATOM 1071 O LEU A 69 7.069 -9.109 17.003 1.00 75.00 O ATOM 1072 CB LEU A 69 6.255 -5.686 16.242 1.00 75.00 C ATOM 1073 CG LEU A 69 6.935 -4.337 15.831 1.00 75.00 C ATOM 1074 CD1 LEU A 69 6.051 -3.128 16.220 1.00 75.00 C ATOM 1075 CD2 LEU A 69 8.358 -4.215 16.436 1.00 75.00 C ATOM 0 H LEU A 69 6.286 -6.658 13.874 1.00 75.00 H new ATOM 0 HA LEU A 69 8.027 -6.906 16.194 1.00 75.00 H new ATOM 0 HB2 LEU A 69 5.256 -5.712 15.807 1.00 75.00 H new ATOM 0 HB3 LEU A 69 6.131 -5.691 17.325 1.00 75.00 H new ATOM 0 HG LEU A 69 7.041 -4.335 14.746 1.00 75.00 H new ATOM 0 HD11 LEU A 69 6.547 -2.204 15.923 1.00 75.00 H new ATOM 0 HD12 LEU A 69 5.089 -3.202 15.713 1.00 75.00 H new ATOM 0 HD13 LEU A 69 5.893 -3.125 17.299 1.00 75.00 H new ATOM 0 HD21 LEU A 69 8.803 -3.267 16.132 1.00 75.00 H new ATOM 0 HD22 LEU A 69 8.296 -4.254 17.524 1.00 75.00 H new ATOM 0 HD23 LEU A 69 8.977 -5.038 16.078 1.00 75.00 H new ATOM 1087 N THR A 70 5.021 -8.324 16.387 1.00 75.00 N ATOM 1088 CA THR A 70 4.227 -9.447 16.907 1.00 75.00 C ATOM 1089 C THR A 70 2.775 -9.314 16.387 1.00 75.00 C ATOM 1090 O THR A 70 2.070 -8.346 16.702 1.00 75.00 O ATOM 1091 CB THR A 70 4.275 -9.540 18.492 1.00 75.00 C ATOM 1092 OG1 THR A 70 3.461 -10.625 18.955 1.00 75.00 O ATOM 1093 CG2 THR A 70 3.866 -8.228 19.208 1.00 75.00 C ATOM 0 H THR A 70 4.452 -7.601 15.947 1.00 75.00 H new ATOM 0 HA THR A 70 4.660 -10.379 16.544 1.00 75.00 H new ATOM 0 HB THR A 70 5.319 -9.719 18.750 1.00 75.00 H new ATOM 0 HG1 THR A 70 3.502 -10.671 19.933 1.00 75.00 H new ATOM 0 HG21 THR A 70 3.923 -8.369 20.287 1.00 75.00 H new ATOM 0 HG22 THR A 70 4.541 -7.426 18.911 1.00 75.00 H new ATOM 0 HG23 THR A 70 2.845 -7.965 18.930 1.00 75.00 H new ATOM 1101 N TRP A 71 2.364 -10.257 15.521 1.00 75.00 N ATOM 1102 CA TRP A 71 1.014 -10.298 14.919 1.00 75.00 C ATOM 1103 C TRP A 71 0.556 -11.763 14.825 1.00 75.00 C ATOM 1104 O TRP A 71 -0.446 -12.160 15.431 1.00 75.00 O ATOM 1105 CB TRP A 71 1.004 -9.674 13.493 1.00 75.00 C ATOM 1106 CG TRP A 71 1.344 -8.202 13.425 1.00 75.00 C ATOM 1107 CD1 TRP A 71 2.576 -7.632 13.203 1.00 75.00 C ATOM 1108 CD2 TRP A 71 0.428 -7.111 13.596 1.00 75.00 C ATOM 1109 NE1 TRP A 71 2.471 -6.265 13.223 1.00 75.00 N ATOM 1110 CE2 TRP A 71 1.163 -5.922 13.459 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -0.948 -7.030 13.844 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 0.570 -4.669 13.564 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -1.535 -5.785 13.951 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -0.776 -4.619 13.810 1.00 75.00 C ATOM 0 H TRP A 71 2.965 -11.022 15.214 1.00 75.00 H new ATOM 0 HA TRP A 71 0.340 -9.718 15.550 1.00 75.00 H new ATOM 0 HB2 TRP A 71 1.712 -10.222 12.871 1.00 75.00 H new ATOM 0 HB3 TRP A 71 0.016 -9.821 13.058 1.00 75.00 H new ATOM 0 HD1 TRP A 71 3.491 -8.181 13.037 1.00 75.00 H new ATOM 0 HE1 TRP A 71 3.240 -5.609 13.085 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -1.540 -7.927 13.950 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 1.151 -3.765 13.455 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -2.595 -5.711 14.146 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -1.262 -3.658 13.897 1.00 75.00 H new ATOM 1125 N ARG A 72 1.353 -12.560 14.057 1.00 75.00 N ATOM 1126 CA ARG A 72 1.091 -13.981 13.753 1.00 75.00 C ATOM 1127 C ARG A 72 -0.221 -14.150 12.962 1.00 75.00 C ATOM 1128 O ARG A 72 -1.272 -14.438 13.538 1.00 75.00 O ATOM 1129 CB ARG A 72 1.077 -14.855 15.037 1.00 75.00 C ATOM 1130 CG ARG A 72 2.385 -14.856 15.853 1.00 75.00 C ATOM 1131 CD ARG A 72 2.248 -15.640 17.171 1.00 75.00 C ATOM 1132 NE ARG A 72 1.902 -17.059 16.951 1.00 75.00 N ATOM 1133 CZ ARG A 72 0.702 -17.624 17.197 1.00 75.00 C ATOM 1134 NH1 ARG A 72 -0.312 -16.908 17.669 1.00 75.00 N ATOM 1135 NH2 ARG A 72 0.535 -18.917 16.979 1.00 75.00 N ATOM 0 H ARG A 72 2.212 -12.216 13.627 1.00 75.00 H new ATOM 0 HA ARG A 72 1.913 -14.330 13.128 1.00 75.00 H new ATOM 0 HB2 ARG A 72 0.268 -14.511 15.681 1.00 75.00 H new ATOM 0 HB3 ARG A 72 0.845 -15.882 14.754 1.00 75.00 H new ATOM 0 HG2 ARG A 72 3.184 -15.292 15.254 1.00 75.00 H new ATOM 0 HG3 ARG A 72 2.675 -13.828 16.072 1.00 75.00 H new ATOM 0 HD2 ARG A 72 3.185 -15.579 17.725 1.00 75.00 H new ATOM 0 HD3 ARG A 72 1.481 -15.174 17.789 1.00 75.00 H new ATOM 0 HE ARG A 72 2.634 -17.665 16.581 1.00 75.00 H new ATOM 0 HH11 ARG A 72 -0.191 -15.912 17.852 1.00 75.00 H new ATOM 0 HH12 ARG A 72 -1.212 -17.354 17.848 1.00 75.00 H new ATOM 0 HH21 ARG A 72 1.310 -19.479 16.628 1.00 75.00 H new ATOM 0 HH22 ARG A 72 -0.369 -19.353 17.162 1.00 75.00 H new ATOM 1149 N VAL A 73 -0.152 -13.943 11.645 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.299 -14.150 10.733 1.00 75.00 C ATOM 1151 C VAL A 73 -1.077 -15.428 9.906 1.00 75.00 C ATOM 1152 O VAL A 73 -1.967 -16.283 9.819 1.00 75.00 O ATOM 1153 CB VAL A 73 -1.537 -12.893 9.815 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.655 -13.138 8.766 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -1.851 -11.653 10.693 1.00 50.00 C ATOM 0 H VAL A 73 0.695 -13.628 11.173 1.00 75.00 H new ATOM 0 HA VAL A 73 -2.204 -14.277 11.327 1.00 75.00 H new ATOM 0 HB VAL A 73 -0.622 -12.707 9.253 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -2.784 -12.244 8.156 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -2.377 -13.976 8.127 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -3.590 -13.366 9.277 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -2.015 -10.786 10.053 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -2.747 -11.843 11.283 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -1.012 -11.458 11.360 1.00 50.00 H new ATOM 1165 N GLN A 74 0.123 -15.561 9.317 1.00 75.00 N ATOM 1166 CA GLN A 74 0.512 -16.764 8.555 1.00 75.00 C ATOM 1167 C GLN A 74 1.343 -17.698 9.456 1.00 75.00 C ATOM 1168 O GLN A 74 2.543 -17.469 9.670 1.00 75.00 O ATOM 1169 CB GLN A 74 1.322 -16.375 7.281 1.00 75.00 C ATOM 1170 CG GLN A 74 1.640 -17.558 6.328 1.00 75.00 C ATOM 1171 CD GLN A 74 0.413 -18.156 5.630 1.00 75.00 C ATOM 1172 OE1 GLN A 74 -0.591 -17.478 5.408 1.00 75.00 O ATOM 1173 NE2 GLN A 74 0.501 -19.415 5.246 1.00 75.00 N ATOM 0 H GLN A 74 0.848 -14.844 9.354 1.00 75.00 H new ATOM 0 HA GLN A 74 -0.390 -17.284 8.233 1.00 75.00 H new ATOM 0 HB2 GLN A 74 0.762 -15.621 6.728 1.00 75.00 H new ATOM 0 HB3 GLN A 74 2.260 -15.913 7.590 1.00 75.00 H new ATOM 0 HG2 GLN A 74 2.345 -17.218 5.569 1.00 75.00 H new ATOM 0 HG3 GLN A 74 2.138 -18.343 6.897 1.00 75.00 H new ATOM 0 HE21 GLN A 74 1.346 -19.951 5.444 1.00 75.00 H new ATOM 0 HE22 GLN A 74 -0.276 -19.853 4.751 1.00 75.00 H new ATOM 1182 N ARG A 75 0.677 -18.697 10.044 1.00 75.00 N ATOM 1183 CA ARG A 75 1.337 -19.763 10.820 1.00 75.00 C ATOM 1184 C ARG A 75 1.179 -21.084 10.061 1.00 75.00 C ATOM 1185 O ARG A 75 2.166 -21.744 9.728 1.00 75.00 O ATOM 1186 CB ARG A 75 0.748 -19.905 12.259 1.00 75.00 C ATOM 1187 CG ARG A 75 0.759 -18.608 13.117 1.00 75.00 C ATOM 1188 CD ARG A 75 -0.517 -17.764 12.957 1.00 75.00 C ATOM 1189 NE ARG A 75 -1.715 -18.513 13.384 1.00 75.00 N ATOM 1190 CZ ARG A 75 -2.773 -18.005 14.038 1.00 75.00 C ATOM 1191 NH1 ARG A 75 -2.827 -16.717 14.372 1.00 75.00 N ATOM 1192 NH2 ARG A 75 -3.790 -18.801 14.342 1.00 75.00 N ATOM 0 H ARG A 75 -0.337 -18.793 9.998 1.00 75.00 H new ATOM 0 HA ARG A 75 2.389 -19.502 10.934 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -0.280 -20.258 12.179 1.00 75.00 H new ATOM 0 HB3 ARG A 75 1.309 -20.675 12.788 1.00 75.00 H new ATOM 0 HG2 ARG A 75 0.880 -18.876 14.167 1.00 75.00 H new ATOM 0 HG3 ARG A 75 1.623 -18.004 12.840 1.00 75.00 H new ATOM 0 HD2 ARG A 75 -0.428 -16.851 13.546 1.00 75.00 H new ATOM 0 HD3 ARG A 75 -0.627 -17.462 11.916 1.00 75.00 H new ATOM 0 HE ARG A 75 -1.742 -19.508 13.162 1.00 75.00 H new ATOM 0 HH11 ARG A 75 -2.055 -16.095 14.131 1.00 75.00 H new ATOM 0 HH12 ARG A 75 -3.640 -16.353 14.868 1.00 75.00 H new ATOM 0 HH21 ARG A 75 -3.763 -19.786 14.079 1.00 75.00 H new ATOM 0 HH22 ARG A 75 -4.599 -18.428 14.838 1.00 75.00 H new ATOM 1206 N SER A 76 -0.090 -21.444 9.793 1.00 75.00 N ATOM 1207 CA SER A 76 -0.460 -22.659 9.046 1.00 75.00 C ATOM 1208 C SER A 76 -0.238 -22.472 7.535 1.00 75.00 C ATOM 1209 O SER A 76 -0.106 -21.338 7.062 1.00 75.00 O ATOM 1210 CB SER A 76 -1.946 -22.993 9.317 1.00 75.00 C ATOM 1211 OG SER A 76 -2.173 -23.237 10.690 1.00 75.00 O ATOM 0 H SER A 76 -0.895 -20.893 10.092 1.00 75.00 H new ATOM 0 HA SER A 76 0.175 -23.479 9.383 1.00 75.00 H new ATOM 0 HB2 SER A 76 -2.574 -22.167 8.983 1.00 75.00 H new ATOM 0 HB3 SER A 76 -2.236 -23.869 8.737 1.00 75.00 H new ATOM 0 HG SER A 76 -3.120 -23.444 10.833 1.00 75.00 H new ATOM 1217 N GLN A 77 -0.229 -23.605 6.803 1.00 75.00 N ATOM 1218 CA GLN A 77 -0.104 -23.655 5.330 1.00 75.00 C ATOM 1219 C GLN A 77 1.223 -23.010 4.866 1.00 75.00 C ATOM 1220 O GLN A 77 1.227 -22.050 4.077 1.00 75.00 O ATOM 1221 CB GLN A 77 -1.348 -22.999 4.632 1.00 75.00 C ATOM 1222 CG GLN A 77 -1.453 -23.267 3.115 1.00 75.00 C ATOM 1223 CD GLN A 77 -2.570 -22.469 2.439 1.00 75.00 C ATOM 1224 OE1 GLN A 77 -2.352 -21.360 1.946 1.00 75.00 O ATOM 1225 NE2 GLN A 77 -3.774 -23.025 2.431 1.00 75.00 N ATOM 0 H GLN A 77 -0.310 -24.529 7.227 1.00 75.00 H new ATOM 0 HA GLN A 77 -0.081 -24.702 5.027 1.00 75.00 H new ATOM 0 HB2 GLN A 77 -2.254 -23.365 5.115 1.00 75.00 H new ATOM 0 HB3 GLN A 77 -1.313 -21.922 4.795 1.00 75.00 H new ATOM 0 HG2 GLN A 77 -0.502 -23.021 2.642 1.00 75.00 H new ATOM 0 HG3 GLN A 77 -1.625 -24.331 2.951 1.00 75.00 H new ATOM 0 HE21 GLN A 77 -3.914 -23.945 2.849 1.00 75.00 H new ATOM 0 HE22 GLN A 77 -4.560 -22.533 2.006 1.00 75.00 H new ATOM 1234 N ASN A 78 2.343 -23.560 5.398 1.00 75.00 N ATOM 1235 CA ASN A 78 3.717 -23.080 5.123 1.00 75.00 C ATOM 1236 C ASN A 78 3.947 -21.644 5.673 1.00 75.00 C ATOM 1237 O ASN A 78 3.290 -20.692 5.224 1.00 75.00 O ATOM 1238 CB ASN A 78 4.042 -23.160 3.600 1.00 75.00 C ATOM 1239 CG ASN A 78 5.390 -22.562 3.178 1.00 75.00 C ATOM 1240 OD1 ASN A 78 5.490 -21.953 2.115 1.00 75.00 O ATOM 1241 ND2 ASN A 78 6.442 -22.767 3.964 1.00 75.00 N ATOM 0 H ASN A 78 2.316 -24.356 6.035 1.00 75.00 H new ATOM 0 HA ASN A 78 4.405 -23.741 5.650 1.00 75.00 H new ATOM 0 HB2 ASN A 78 4.018 -24.206 3.296 1.00 75.00 H new ATOM 0 HB3 ASN A 78 3.251 -22.650 3.051 1.00 75.00 H new ATOM 0 HD21 ASN A 78 7.360 -22.416 3.690 1.00 75.00 H new ATOM 0 HD22 ASN A 78 6.332 -23.276 4.841 1.00 75.00 H new ATOM 1248 N PRO A 79 4.903 -21.448 6.638 1.00 75.00 N ATOM 1249 CA PRO A 79 5.253 -20.094 7.124 1.00 75.00 C ATOM 1250 C PRO A 79 6.018 -19.299 6.045 1.00 75.00 C ATOM 1251 O PRO A 79 6.741 -19.884 5.225 1.00 75.00 O ATOM 1252 CB PRO A 79 6.129 -20.379 8.374 1.00 75.00 C ATOM 1253 CG PRO A 79 6.763 -21.709 8.094 1.00 75.00 C ATOM 1254 CD PRO A 79 5.730 -22.499 7.311 1.00 75.00 C ATOM 0 HA PRO A 79 4.384 -19.479 7.359 1.00 75.00 H new ATOM 0 HB2 PRO A 79 6.881 -19.603 8.517 1.00 75.00 H new ATOM 0 HB3 PRO A 79 5.527 -20.410 9.282 1.00 75.00 H new ATOM 0 HG2 PRO A 79 7.683 -21.592 7.521 1.00 75.00 H new ATOM 0 HG3 PRO A 79 7.027 -22.220 9.020 1.00 75.00 H new ATOM 0 HD2 PRO A 79 6.201 -23.162 6.585 1.00 75.00 H new ATOM 0 HD3 PRO A 79 5.124 -23.124 7.967 1.00 75.00 H new ATOM 1262 N LEU A 80 5.830 -17.974 6.029 1.00 75.00 N ATOM 1263 CA LEU A 80 6.534 -17.076 5.086 1.00 75.00 C ATOM 1264 C LEU A 80 7.967 -16.814 5.568 1.00 75.00 C ATOM 1265 O LEU A 80 8.319 -17.170 6.696 1.00 75.00 O ATOM 1266 CB LEU A 80 5.754 -15.743 4.926 1.00 75.00 C ATOM 1267 CG LEU A 80 4.290 -15.892 4.414 1.00 75.00 C ATOM 1268 CD1 LEU A 80 3.582 -14.528 4.297 1.00 75.00 C ATOM 1269 CD2 LEU A 80 4.223 -16.679 3.086 1.00 75.00 C ATOM 0 H LEU A 80 5.192 -17.490 6.661 1.00 75.00 H new ATOM 0 HA LEU A 80 6.585 -17.562 4.111 1.00 75.00 H new ATOM 0 HB2 LEU A 80 5.736 -15.233 5.889 1.00 75.00 H new ATOM 0 HB3 LEU A 80 6.301 -15.101 4.235 1.00 75.00 H new ATOM 0 HG LEU A 80 3.751 -16.473 5.162 1.00 75.00 H new ATOM 0 HD11 LEU A 80 2.564 -14.676 3.937 1.00 75.00 H new ATOM 0 HD12 LEU A 80 3.555 -14.047 5.275 1.00 75.00 H new ATOM 0 HD13 LEU A 80 4.126 -13.895 3.596 1.00 75.00 H new ATOM 0 HD21 LEU A 80 3.185 -16.761 2.763 1.00 75.00 H new ATOM 0 HD22 LEU A 80 4.800 -16.156 2.323 1.00 75.00 H new ATOM 0 HD23 LEU A 80 4.637 -17.677 3.233 1.00 75.00 H new ATOM 1281 N LYS A 81 8.776 -16.195 4.694 1.00 75.00 N ATOM 1282 CA LYS A 81 10.171 -15.828 4.985 1.00 75.00 C ATOM 1283 C LYS A 81 10.649 -14.873 3.888 1.00 75.00 C ATOM 1284 O LYS A 81 10.677 -15.251 2.708 1.00 75.00 O ATOM 1285 CB LYS A 81 11.085 -17.099 5.044 1.00 75.00 C ATOM 1286 CG LYS A 81 12.559 -16.893 5.506 1.00 75.00 C ATOM 1287 CD LYS A 81 12.729 -16.697 7.046 1.00 75.00 C ATOM 1288 CE LYS A 81 12.617 -15.234 7.500 1.00 75.00 C ATOM 1289 NZ LYS A 81 13.727 -14.396 6.976 1.00 75.00 N ATOM 0 H LYS A 81 8.477 -15.932 3.755 1.00 75.00 H new ATOM 0 HA LYS A 81 10.229 -15.342 5.959 1.00 75.00 H new ATOM 0 HB2 LYS A 81 10.618 -17.820 5.715 1.00 75.00 H new ATOM 0 HB3 LYS A 81 11.101 -17.550 4.052 1.00 75.00 H new ATOM 0 HG2 LYS A 81 13.149 -17.755 5.194 1.00 75.00 H new ATOM 0 HG3 LYS A 81 12.970 -16.023 4.993 1.00 75.00 H new ATOM 0 HD2 LYS A 81 11.973 -17.287 7.564 1.00 75.00 H new ATOM 0 HD3 LYS A 81 13.701 -17.088 7.348 1.00 75.00 H new ATOM 0 HE2 LYS A 81 11.665 -14.823 7.165 1.00 75.00 H new ATOM 0 HE3 LYS A 81 12.616 -15.193 8.589 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 13.983 -13.678 7.683 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 14.552 -14.997 6.778 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 13.423 -13.926 6.099 1.00 75.00 H new ATOM 1303 N ILE A 82 10.987 -13.624 4.263 1.00 75.00 N ATOM 1304 CA ILE A 82 11.524 -12.621 3.319 1.00 75.00 C ATOM 1305 C ILE A 82 13.014 -12.362 3.639 1.00 75.00 C ATOM 1306 O ILE A 82 13.552 -12.871 4.639 1.00 75.00 O ATOM 1307 CB ILE A 82 10.703 -11.263 3.359 1.00 75.00 C ATOM 1308 CG1 ILE A 82 10.958 -10.490 4.696 1.00 75.00 C ATOM 1309 CG2 ILE A 82 9.180 -11.515 3.157 1.00 75.00 C ATOM 1310 CD1 ILE A 82 10.329 -9.113 4.793 1.00 75.00 C ATOM 0 H ILE A 82 10.897 -13.283 5.220 1.00 75.00 H new ATOM 0 HA ILE A 82 11.427 -13.020 2.309 1.00 75.00 H new ATOM 0 HB ILE A 82 11.055 -10.645 2.533 1.00 75.00 H new ATOM 0 HG12 ILE A 82 10.586 -11.097 5.521 1.00 75.00 H new ATOM 0 HG13 ILE A 82 12.034 -10.388 4.835 1.00 75.00 H new ATOM 0 HG21 ILE A 82 8.647 -10.565 3.190 1.00 75.00 H new ATOM 0 HG22 ILE A 82 9.015 -11.991 2.190 1.00 75.00 H new ATOM 0 HG23 ILE A 82 8.811 -12.166 3.949 1.00 75.00 H new ATOM 0 HD11 ILE A 82 10.570 -8.670 5.759 1.00 75.00 H new ATOM 0 HD12 ILE A 82 10.717 -8.479 3.996 1.00 75.00 H new ATOM 0 HD13 ILE A 82 9.247 -9.199 4.693 1.00 75.00 H new ATOM 1322 N ARG A 83 13.657 -11.562 2.779 1.00 75.00 N ATOM 1323 CA ARG A 83 15.067 -11.173 2.910 1.00 75.00 C ATOM 1324 C ARG A 83 15.307 -9.841 2.162 1.00 75.00 C ATOM 1325 O ARG A 83 15.615 -9.817 0.964 1.00 75.00 O ATOM 1326 CB ARG A 83 15.994 -12.319 2.402 1.00 75.00 C ATOM 1327 CG ARG A 83 15.641 -12.873 0.996 1.00 75.00 C ATOM 1328 CD ARG A 83 16.557 -14.021 0.557 1.00 75.00 C ATOM 1329 NE ARG A 83 16.385 -15.220 1.393 1.00 75.00 N ATOM 1330 CZ ARG A 83 17.217 -16.274 1.411 1.00 75.00 C ATOM 1331 NH1 ARG A 83 18.316 -16.287 0.652 1.00 75.00 N ATOM 1332 NH2 ARG A 83 16.916 -17.338 2.158 1.00 75.00 N ATOM 0 H ARG A 83 13.204 -11.160 1.958 1.00 75.00 H new ATOM 0 HA ARG A 83 15.313 -11.011 3.960 1.00 75.00 H new ATOM 0 HB2 ARG A 83 17.021 -11.955 2.385 1.00 75.00 H new ATOM 0 HB3 ARG A 83 15.959 -13.139 3.119 1.00 75.00 H new ATOM 0 HG2 ARG A 83 14.608 -13.220 0.997 1.00 75.00 H new ATOM 0 HG3 ARG A 83 15.705 -12.065 0.267 1.00 75.00 H new ATOM 0 HD2 ARG A 83 16.349 -14.272 -0.483 1.00 75.00 H new ATOM 0 HD3 ARG A 83 17.596 -13.693 0.604 1.00 75.00 H new ATOM 0 HE ARG A 83 15.571 -15.253 2.006 1.00 75.00 H new ATOM 0 HH11 ARG A 83 18.530 -15.491 0.051 1.00 75.00 H new ATOM 0 HH12 ARG A 83 18.941 -17.093 0.673 1.00 75.00 H new ATOM 0 HH21 ARG A 83 16.059 -17.347 2.710 1.00 75.00 H new ATOM 0 HH22 ARG A 83 17.543 -18.142 2.176 1.00 75.00 H new ATOM 1346 N LEU A 84 15.106 -8.723 2.878 1.00 75.00 N ATOM 1347 CA LEU A 84 15.239 -7.361 2.322 1.00 75.00 C ATOM 1348 C LEU A 84 16.394 -6.636 3.025 1.00 75.00 C ATOM 1349 O LEU A 84 16.204 -6.008 4.078 1.00 75.00 O ATOM 1350 CB LEU A 84 13.901 -6.580 2.461 1.00 75.00 C ATOM 1351 CG LEU A 84 12.688 -7.185 1.689 1.00 75.00 C ATOM 1352 CD1 LEU A 84 11.408 -6.367 1.934 1.00 75.00 C ATOM 1353 CD2 LEU A 84 12.991 -7.320 0.181 1.00 75.00 C ATOM 0 H LEU A 84 14.845 -8.736 3.864 1.00 75.00 H new ATOM 0 HA LEU A 84 15.466 -7.422 1.258 1.00 75.00 H new ATOM 0 HB2 LEU A 84 13.643 -6.520 3.518 1.00 75.00 H new ATOM 0 HB3 LEU A 84 14.058 -5.559 2.113 1.00 75.00 H new ATOM 0 HG LEU A 84 12.517 -8.189 2.078 1.00 75.00 H new ATOM 0 HD11 LEU A 84 10.580 -6.813 1.383 1.00 75.00 H new ATOM 0 HD12 LEU A 84 11.176 -6.365 2.999 1.00 75.00 H new ATOM 0 HD13 LEU A 84 11.560 -5.343 1.594 1.00 75.00 H new ATOM 0 HD21 LEU A 84 12.125 -7.745 -0.327 1.00 75.00 H new ATOM 0 HD22 LEU A 84 13.210 -6.337 -0.235 1.00 75.00 H new ATOM 0 HD23 LEU A 84 13.852 -7.974 0.040 1.00 75.00 H new ATOM 1365 N THR A 85 17.602 -6.808 2.470 1.00 75.00 N ATOM 1366 CA THR A 85 18.828 -6.172 2.963 1.00 75.00 C ATOM 1367 C THR A 85 19.342 -5.188 1.900 1.00 75.00 C ATOM 1368 O THR A 85 19.710 -5.604 0.794 1.00 75.00 O ATOM 1369 CB THR A 85 19.930 -7.248 3.285 1.00 75.00 C ATOM 1370 OG1 THR A 85 20.197 -8.057 2.123 1.00 75.00 O ATOM 1371 CG2 THR A 85 19.505 -8.170 4.440 1.00 75.00 C ATOM 0 H THR A 85 17.755 -7.401 1.655 1.00 75.00 H new ATOM 0 HA THR A 85 18.605 -5.637 3.886 1.00 75.00 H new ATOM 0 HB THR A 85 20.829 -6.706 3.580 1.00 75.00 H new ATOM 0 HG1 THR A 85 19.996 -7.543 1.313 1.00 75.00 H new ATOM 0 HG21 THR A 85 20.292 -8.899 4.632 1.00 75.00 H new ATOM 0 HG22 THR A 85 19.335 -7.575 5.337 1.00 75.00 H new ATOM 0 HG23 THR A 85 18.586 -8.691 4.171 1.00 75.00 H new ATOM 1379 N ARG A 86 19.309 -3.883 2.212 1.00 75.00 N ATOM 1380 CA ARG A 86 19.843 -2.828 1.338 1.00 75.00 C ATOM 1381 C ARG A 86 21.107 -2.248 1.979 1.00 75.00 C ATOM 1382 O ARG A 86 21.091 -1.831 3.147 1.00 75.00 O ATOM 1383 CB ARG A 86 18.781 -1.724 1.103 1.00 75.00 C ATOM 1384 CG ARG A 86 17.432 -2.240 0.543 1.00 75.00 C ATOM 1385 CD ARG A 86 16.517 -1.098 0.065 1.00 75.00 C ATOM 1386 NE ARG A 86 17.105 -0.397 -1.102 1.00 75.00 N ATOM 1387 CZ ARG A 86 17.002 0.919 -1.358 1.00 75.00 C ATOM 1388 NH1 ARG A 86 16.330 1.731 -0.538 1.00 75.00 N ATOM 1389 NH2 ARG A 86 17.571 1.421 -2.453 1.00 75.00 N ATOM 0 H ARG A 86 18.909 -3.529 3.081 1.00 75.00 H new ATOM 0 HA ARG A 86 20.095 -3.250 0.365 1.00 75.00 H new ATOM 0 HB2 ARG A 86 18.596 -1.209 2.046 1.00 75.00 H new ATOM 0 HB3 ARG A 86 19.189 -0.986 0.412 1.00 75.00 H new ATOM 0 HG2 ARG A 86 17.623 -2.920 -0.287 1.00 75.00 H new ATOM 0 HG3 ARG A 86 16.918 -2.815 1.314 1.00 75.00 H new ATOM 0 HD2 ARG A 86 15.539 -1.499 -0.202 1.00 75.00 H new ATOM 0 HD3 ARG A 86 16.360 -0.389 0.878 1.00 75.00 H new ATOM 0 HE ARG A 86 17.633 -0.962 -1.768 1.00 75.00 H new ATOM 0 HH11 ARG A 86 15.884 1.355 0.299 1.00 75.00 H new ATOM 0 HH12 ARG A 86 16.263 2.727 -0.749 1.00 75.00 H new ATOM 0 HH21 ARG A 86 18.080 0.808 -3.090 1.00 75.00 H new ATOM 0 HH22 ARG A 86 17.498 2.418 -2.655 1.00 75.00 H new ATOM 1403 N GLU A 87 22.190 -2.221 1.201 1.00 75.00 N ATOM 1404 CA GLU A 87 23.518 -1.790 1.643 1.00 75.00 C ATOM 1405 C GLU A 87 23.935 -0.543 0.846 1.00 75.00 C ATOM 1406 O GLU A 87 24.237 -0.616 -0.357 1.00 75.00 O ATOM 1407 CB GLU A 87 24.541 -2.975 1.512 1.00 75.00 C ATOM 1408 CG GLU A 87 24.689 -3.640 0.115 1.00 75.00 C ATOM 1409 CD GLU A 87 23.450 -4.429 -0.362 1.00 75.00 C ATOM 1410 OE1 GLU A 87 23.165 -5.503 0.203 1.00 75.00 O ATOM 1411 OE2 GLU A 87 22.751 -3.971 -1.301 1.00 75.00 O ATOM 0 H GLU A 87 22.168 -2.505 0.222 1.00 75.00 H new ATOM 0 HA GLU A 87 23.500 -1.513 2.697 1.00 75.00 H new ATOM 0 HB2 GLU A 87 25.521 -2.609 1.817 1.00 75.00 H new ATOM 0 HB3 GLU A 87 24.254 -3.748 2.225 1.00 75.00 H new ATOM 0 HG2 GLU A 87 24.913 -2.865 -0.618 1.00 75.00 H new ATOM 0 HG3 GLU A 87 25.545 -4.315 0.138 1.00 75.00 H new ATOM 1418 N ALA A 88 23.886 0.611 1.530 1.00 75.00 N ATOM 1419 CA ALA A 88 24.214 1.925 0.947 1.00 75.00 C ATOM 1420 C ALA A 88 25.719 2.002 0.578 1.00 75.00 C ATOM 1421 O ALA A 88 26.567 1.742 1.441 1.00 75.00 O ATOM 1422 CB ALA A 88 23.819 3.049 1.925 1.00 75.00 C ATOM 0 H ALA A 88 23.615 0.660 2.512 1.00 75.00 H new ATOM 0 HA ALA A 88 23.644 2.055 0.027 1.00 75.00 H new ATOM 0 HB1 ALA A 88 24.065 4.016 1.486 1.00 75.00 H new ATOM 0 HB2 ALA A 88 22.748 3.001 2.121 1.00 75.00 H new ATOM 0 HB3 ALA A 88 24.365 2.926 2.860 1.00 75.00 H new ATOM 1428 N PRO A 89 26.074 2.306 -0.718 1.00 75.00 N ATOM 1429 CA PRO A 89 27.486 2.362 -1.191 1.00 75.00 C ATOM 1430 C PRO A 89 28.308 3.472 -0.478 1.00 75.00 C ATOM 1431 O PRO A 89 27.970 4.670 -0.639 1.00 75.00 O ATOM 1432 CB PRO A 89 27.357 2.633 -2.725 1.00 75.00 C ATOM 1433 CG PRO A 89 25.938 2.281 -3.065 1.00 75.00 C ATOM 1434 CD PRO A 89 25.138 2.629 -1.831 1.00 75.00 C ATOM 1435 OXT PRO A 89 29.277 3.148 0.241 1.00 75.00 O ATOM 0 HA PRO A 89 28.028 1.443 -0.969 1.00 75.00 H new ATOM 0 HB2 PRO A 89 27.572 3.675 -2.961 1.00 75.00 H new ATOM 0 HB3 PRO A 89 28.061 2.025 -3.293 1.00 75.00 H new ATOM 0 HG2 PRO A 89 25.590 2.843 -3.932 1.00 75.00 H new ATOM 0 HG3 PRO A 89 25.843 1.223 -3.311 1.00 75.00 H new ATOM 0 HD2 PRO A 89 24.848 3.680 -1.822 1.00 75.00 H new ATOM 0 HD3 PRO A 89 24.220 2.045 -1.768 1.00 75.00 H new TER 1443 PRO A 89