USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot 158:sc= -2.57 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -4.25! C(o=-12!,f=-19!) USER MOD Set 1.3: A 34 CYS SG : rot -133:sc= -0.664 USER MOD Set 1.4: A 37 CYS SG : rot -86:sc= -4.18! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 159:sc= -0.161 (180deg=-0.841) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.592 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0331 K(o=-0.033,f=-0.75) USER MOD Single : A 59 LYS NZ :NH3+ -134:sc= -0.18 (180deg=-0.581) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -17.346 0.227 -19.547 1.00 0.00 N ATOM 2 CA ALA A 2 -16.477 1.428 -19.445 1.00 0.00 C ATOM 3 C ALA A 2 -15.343 1.372 -20.462 1.00 0.00 C ATOM 4 O ALA A 2 -14.600 0.393 -20.526 1.00 0.00 O ATOM 5 CB ALA A 2 -15.915 1.551 -18.036 1.00 0.00 C ATOM 0 HA ALA A 2 -17.084 2.306 -19.663 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.280 2.435 -17.973 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.735 1.642 -17.324 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.327 0.664 -17.800 1.00 0.00 H new ATOM 10 N SER A 3 -15.215 2.431 -21.256 1.00 0.00 N ATOM 11 CA SER A 3 -14.169 2.503 -22.271 1.00 0.00 C ATOM 12 C SER A 3 -13.323 3.759 -22.091 1.00 0.00 C ATOM 13 O SER A 3 -12.758 4.282 -23.052 1.00 0.00 O ATOM 14 CB SER A 3 -14.787 2.485 -23.671 1.00 0.00 C ATOM 15 OG SER A 3 -16.088 1.925 -23.648 1.00 0.00 O ATOM 0 H SER A 3 -15.822 3.250 -21.216 1.00 0.00 H new ATOM 0 HA SER A 3 -13.523 1.633 -22.155 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.832 3.500 -24.065 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.152 1.910 -24.345 1.00 0.00 H new ATOM 0 HG SER A 3 -16.461 1.927 -24.554 1.00 0.00 H new ATOM 21 N THR A 4 -13.237 4.239 -20.854 1.00 0.00 N ATOM 22 CA THR A 4 -12.458 5.434 -20.549 1.00 0.00 C ATOM 23 C THR A 4 -11.321 5.119 -19.578 1.00 0.00 C ATOM 24 O THR A 4 -10.773 6.018 -18.942 1.00 0.00 O ATOM 25 CB THR A 4 -13.362 6.518 -19.960 1.00 0.00 C ATOM 26 OG1 THR A 4 -14.476 5.939 -19.303 1.00 0.00 O ATOM 27 CG2 THR A 4 -13.892 7.485 -20.997 1.00 0.00 C ATOM 0 H THR A 4 -13.697 3.819 -20.047 1.00 0.00 H new ATOM 0 HA THR A 4 -12.021 5.797 -21.479 1.00 0.00 H new ATOM 0 HB THR A 4 -12.734 7.070 -19.261 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.041 6.648 -18.931 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.526 8.227 -20.512 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.057 7.985 -21.488 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.475 6.939 -21.739 1.00 0.00 H new ATOM 35 N SER A 5 -10.969 3.840 -19.470 1.00 0.00 N ATOM 36 CA SER A 5 -9.896 3.418 -18.577 1.00 0.00 C ATOM 37 C SER A 5 -8.549 3.469 -19.289 1.00 0.00 C ATOM 38 O SER A 5 -8.460 3.902 -20.439 1.00 0.00 O ATOM 39 CB SER A 5 -10.162 2.002 -18.060 1.00 0.00 C ATOM 40 OG SER A 5 -10.898 2.031 -16.850 1.00 0.00 O ATOM 0 H SER A 5 -11.410 3.081 -19.989 1.00 0.00 H new ATOM 0 HA SER A 5 -9.866 4.105 -17.731 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.712 1.435 -18.811 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.215 1.486 -17.901 1.00 0.00 H new ATOM 0 HG SER A 5 -11.056 1.114 -16.541 1.00 0.00 H new ATOM 46 N ARG A 6 -7.499 3.028 -18.602 1.00 0.00 N ATOM 47 CA ARG A 6 -6.158 3.028 -19.177 1.00 0.00 C ATOM 48 C ARG A 6 -5.467 1.680 -18.959 1.00 0.00 C ATOM 49 O ARG A 6 -5.634 0.757 -19.755 1.00 0.00 O ATOM 50 CB ARG A 6 -5.326 4.166 -18.579 1.00 0.00 C ATOM 51 CG ARG A 6 -5.627 5.525 -19.187 1.00 0.00 C ATOM 52 CD ARG A 6 -4.863 5.735 -20.484 1.00 0.00 C ATOM 53 NE ARG A 6 -5.627 6.522 -21.449 1.00 0.00 N ATOM 54 CZ ARG A 6 -5.926 7.808 -21.286 1.00 0.00 C ATOM 55 NH1 ARG A 6 -5.528 8.457 -20.198 1.00 0.00 N ATOM 56 NH2 ARG A 6 -6.625 8.448 -22.213 1.00 0.00 N ATOM 0 H ARG A 6 -7.551 2.667 -17.649 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.246 3.188 -20.252 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.506 4.210 -17.505 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.268 3.942 -18.716 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.697 5.612 -19.375 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.364 6.309 -18.477 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.920 6.238 -20.272 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.616 4.767 -20.920 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.950 6.058 -22.298 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.990 7.970 -19.482 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.760 9.443 -20.079 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.933 7.954 -23.051 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.855 9.434 -22.089 1.00 0.00 H new ATOM 70 N LEU A 7 -4.692 1.568 -17.879 1.00 0.00 N ATOM 71 CA LEU A 7 -3.985 0.330 -17.570 1.00 0.00 C ATOM 72 C LEU A 7 -3.847 0.151 -16.052 1.00 0.00 C ATOM 73 O LEU A 7 -4.826 0.302 -15.321 1.00 0.00 O ATOM 74 CB LEU A 7 -2.610 0.324 -18.253 1.00 0.00 C ATOM 75 CG LEU A 7 -2.632 0.523 -19.769 1.00 0.00 C ATOM 76 CD1 LEU A 7 -2.528 2.001 -20.117 1.00 0.00 C ATOM 77 CD2 LEU A 7 -1.504 -0.262 -20.422 1.00 0.00 C ATOM 0 H LEU A 7 -4.540 2.320 -17.206 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.563 -0.511 -17.954 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.999 1.110 -17.809 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.118 -0.624 -18.035 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.581 0.149 -20.153 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.545 2.122 -21.200 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.369 2.538 -19.678 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.595 2.403 -19.722 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.532 -0.111 -21.501 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.547 0.084 -20.032 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.624 -1.323 -20.201 1.00 0.00 H new ATOM 89 N ASP A 8 -2.641 -0.172 -15.577 1.00 0.00 N ATOM 90 CA ASP A 8 -2.406 -0.368 -14.146 1.00 0.00 C ATOM 91 C ASP A 8 -3.095 -1.640 -13.661 1.00 0.00 C ATOM 92 O ASP A 8 -2.437 -2.615 -13.298 1.00 0.00 O ATOM 93 CB ASP A 8 -2.905 0.837 -13.341 1.00 0.00 C ATOM 94 CG ASP A 8 -2.750 2.151 -14.085 1.00 0.00 C ATOM 95 OD1 ASP A 8 -1.672 2.772 -13.974 1.00 0.00 O ATOM 96 OD2 ASP A 8 -3.707 2.559 -14.775 1.00 0.00 O ATOM 0 H ASP A 8 -1.815 -0.303 -16.161 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.332 -0.467 -13.992 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.955 0.690 -13.090 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.357 0.891 -12.400 1.00 0.00 H new ATOM 101 N ALA A 9 -4.424 -1.623 -13.666 1.00 0.00 N ATOM 102 CA ALA A 9 -5.213 -2.772 -13.237 1.00 0.00 C ATOM 103 C ALA A 9 -4.846 -3.216 -11.824 1.00 0.00 C ATOM 104 O ALA A 9 -4.283 -4.293 -11.629 1.00 0.00 O ATOM 105 CB ALA A 9 -5.038 -3.924 -14.215 1.00 0.00 C ATOM 0 H ALA A 9 -4.980 -0.821 -13.964 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.260 -2.468 -13.224 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.632 -4.776 -13.884 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.370 -3.614 -15.206 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.987 -4.209 -14.257 1.00 0.00 H new ATOM 111 N LEU A 10 -5.179 -2.387 -10.838 1.00 0.00 N ATOM 112 CA LEU A 10 -4.893 -2.712 -9.446 1.00 0.00 C ATOM 113 C LEU A 10 -6.165 -2.766 -8.588 1.00 0.00 C ATOM 114 O LEU A 10 -6.091 -2.603 -7.370 1.00 0.00 O ATOM 115 CB LEU A 10 -3.910 -1.696 -8.851 1.00 0.00 C ATOM 116 CG LEU A 10 -4.193 -0.226 -9.178 1.00 0.00 C ATOM 117 CD1 LEU A 10 -3.833 0.083 -10.623 1.00 0.00 C ATOM 118 CD2 LEU A 10 -5.649 0.120 -8.902 1.00 0.00 C ATOM 0 H LEU A 10 -5.645 -1.490 -10.977 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.445 -3.705 -9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.906 -1.814 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.907 -1.940 -9.202 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.569 0.390 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.042 1.132 -10.834 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.773 -0.116 -10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.425 -0.546 -11.288 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.826 1.169 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.295 -0.507 -9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.871 -0.054 -7.849 1.00 0.00 H new ATOM 130 N PRO A 11 -7.356 -2.998 -9.190 1.00 0.00 N ATOM 131 CA PRO A 11 -8.609 -3.069 -8.436 1.00 0.00 C ATOM 132 C PRO A 11 -8.839 -4.445 -7.823 1.00 0.00 C ATOM 133 O PRO A 11 -9.238 -5.381 -8.514 1.00 0.00 O ATOM 134 CB PRO A 11 -9.655 -2.793 -9.508 1.00 0.00 C ATOM 135 CG PRO A 11 -9.082 -3.422 -10.728 1.00 0.00 C ATOM 136 CD PRO A 11 -7.590 -3.215 -10.637 1.00 0.00 C ATOM 0 HA PRO A 11 -8.628 -2.376 -7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.620 -3.229 -9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.815 -1.724 -9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.327 -4.483 -10.773 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.486 -2.963 -11.631 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.042 -4.082 -11.006 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.267 -2.358 -11.228 1.00 0.00 H new ATOM 144 N ARG A 12 -8.589 -4.566 -6.524 1.00 0.00 N ATOM 145 CA ARG A 12 -8.776 -5.835 -5.831 1.00 0.00 C ATOM 146 C ARG A 12 -8.509 -5.688 -4.338 1.00 0.00 C ATOM 147 O ARG A 12 -7.984 -4.670 -3.886 1.00 0.00 O ATOM 148 CB ARG A 12 -7.861 -6.907 -6.426 1.00 0.00 C ATOM 149 CG ARG A 12 -6.384 -6.662 -6.164 1.00 0.00 C ATOM 150 CD ARG A 12 -5.905 -7.427 -4.942 1.00 0.00 C ATOM 151 NE ARG A 12 -4.671 -6.867 -4.398 1.00 0.00 N ATOM 152 CZ ARG A 12 -3.471 -7.066 -4.934 1.00 0.00 C ATOM 153 NH1 ARG A 12 -3.338 -7.819 -6.020 1.00 0.00 N ATOM 154 NH2 ARG A 12 -2.400 -6.513 -4.382 1.00 0.00 N ATOM 0 H ARG A 12 -8.258 -3.804 -5.932 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.814 -6.141 -5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.138 -7.878 -6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.027 -6.957 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.803 -6.964 -7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.210 -5.596 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.680 -7.410 -4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.743 -8.472 -5.208 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.733 -6.290 -3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.159 -8.248 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.415 -7.968 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.497 -5.936 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.479 -6.665 -4.792 1.00 0.00 H new ATOM 168 N VAL A 13 -8.881 -6.711 -3.576 1.00 0.00 N ATOM 169 CA VAL A 13 -8.688 -6.699 -2.130 1.00 0.00 C ATOM 170 C VAL A 13 -7.913 -7.926 -1.651 1.00 0.00 C ATOM 171 O VAL A 13 -7.311 -7.906 -0.577 1.00 0.00 O ATOM 172 CB VAL A 13 -10.038 -6.636 -1.388 1.00 0.00 C ATOM 173 CG1 VAL A 13 -9.826 -6.332 0.087 1.00 0.00 C ATOM 174 CG2 VAL A 13 -10.951 -5.599 -2.027 1.00 0.00 C ATOM 0 H VAL A 13 -9.318 -7.560 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.107 -5.805 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.520 -7.611 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.791 -6.292 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.214 -7.114 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.321 -5.372 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.899 -5.569 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.476 -4.619 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.132 -5.866 -3.068 1.00 0.00 H new ATOM 184 N THR A 14 -7.929 -8.993 -2.447 1.00 0.00 N ATOM 185 CA THR A 14 -7.224 -10.220 -2.088 1.00 0.00 C ATOM 186 C THR A 14 -6.750 -10.970 -3.331 1.00 0.00 C ATOM 187 O THR A 14 -7.280 -10.780 -4.426 1.00 0.00 O ATOM 188 CB THR A 14 -8.129 -11.124 -1.249 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.425 -11.201 -1.814 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.280 -10.656 0.183 1.00 0.00 C ATOM 0 H THR A 14 -8.420 -9.032 -3.340 1.00 0.00 H new ATOM 0 HA THR A 14 -6.348 -9.943 -1.502 1.00 0.00 H new ATOM 0 HB THR A 14 -7.641 -12.099 -1.247 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.988 -11.785 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.934 -11.341 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.302 -10.634 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.713 -9.656 0.195 1.00 0.00 H new ATOM 198 N CYS A 15 -5.745 -11.820 -3.148 1.00 0.00 N ATOM 199 CA CYS A 15 -5.185 -12.606 -4.244 1.00 0.00 C ATOM 200 C CYS A 15 -6.234 -13.544 -4.842 1.00 0.00 C ATOM 201 O CYS A 15 -6.997 -14.177 -4.112 1.00 0.00 O ATOM 202 CB CYS A 15 -3.994 -13.422 -3.735 1.00 0.00 C ATOM 203 SG CYS A 15 -3.106 -14.339 -5.016 1.00 0.00 S ATOM 0 H CYS A 15 -5.299 -11.983 -2.246 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.856 -11.920 -5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.295 -12.749 -3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.348 -14.126 -2.982 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.899 -14.598 -4.607 1.00 0.00 H new ATOM 209 N PRO A 16 -6.280 -13.659 -6.183 1.00 0.00 N ATOM 210 CA PRO A 16 -7.234 -14.539 -6.865 1.00 0.00 C ATOM 211 C PRO A 16 -6.996 -16.004 -6.514 1.00 0.00 C ATOM 212 O PRO A 16 -7.926 -16.810 -6.496 1.00 0.00 O ATOM 213 CB PRO A 16 -6.957 -14.290 -8.353 1.00 0.00 C ATOM 214 CG PRO A 16 -5.565 -13.765 -8.393 1.00 0.00 C ATOM 215 CD PRO A 16 -5.401 -12.958 -7.136 1.00 0.00 C ATOM 0 HA PRO A 16 -8.265 -14.332 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.051 -15.208 -8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.663 -13.574 -8.773 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.840 -14.578 -8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.404 -13.149 -9.278 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.365 -12.944 -6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.704 -11.921 -7.278 1.00 0.00 H new ATOM 223 N ASN A 17 -5.741 -16.333 -6.228 1.00 0.00 N ATOM 224 CA ASN A 17 -5.370 -17.692 -5.868 1.00 0.00 C ATOM 225 C ASN A 17 -5.374 -17.863 -4.354 1.00 0.00 C ATOM 226 O ASN A 17 -5.392 -18.985 -3.845 1.00 0.00 O ATOM 227 CB ASN A 17 -3.989 -18.034 -6.435 1.00 0.00 C ATOM 228 CG ASN A 17 -4.067 -18.984 -7.615 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.107 -18.558 -8.768 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.088 -20.281 -7.329 1.00 0.00 N ATOM 0 H ASN A 17 -4.963 -15.673 -6.239 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.104 -18.375 -6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.489 -17.116 -6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.378 -18.482 -5.651 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.139 -20.968 -8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.053 -20.590 -6.357 1.00 0.00 H new ATOM 237 N HIS A 18 -5.359 -16.743 -3.637 1.00 0.00 N ATOM 238 CA HIS A 18 -5.361 -16.774 -2.184 1.00 0.00 C ATOM 239 C HIS A 18 -6.407 -15.827 -1.611 1.00 0.00 C ATOM 240 O HIS A 18 -6.103 -14.681 -1.276 1.00 0.00 O ATOM 241 CB HIS A 18 -3.986 -16.405 -1.644 1.00 0.00 C ATOM 242 CG HIS A 18 -2.924 -17.385 -2.011 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.789 -17.039 -2.707 1.00 0.00 N ATOM 244 CD2 HIS A 18 -2.819 -18.707 -1.751 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.025 -18.105 -2.862 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.630 -19.134 -2.291 1.00 0.00 N ATOM 0 H HIS A 18 -5.345 -15.806 -4.040 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.610 -17.789 -1.876 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.708 -15.421 -2.021 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.039 -16.327 -0.558 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.536 -19.314 -1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.071 -18.132 -3.368 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.272 -20.089 -2.257 1.00 0.00 H new ATOM 255 N PRO A 19 -7.657 -16.295 -1.478 1.00 0.00 N ATOM 256 CA PRO A 19 -8.741 -15.480 -0.930 1.00 0.00 C ATOM 257 C PRO A 19 -8.495 -15.124 0.532 1.00 0.00 C ATOM 258 O PRO A 19 -8.528 -13.952 0.908 1.00 0.00 O ATOM 259 CB PRO A 19 -9.978 -16.375 -1.069 1.00 0.00 C ATOM 260 CG PRO A 19 -9.445 -17.763 -1.167 1.00 0.00 C ATOM 261 CD PRO A 19 -8.107 -17.649 -1.843 1.00 0.00 C ATOM 0 HA PRO A 19 -8.841 -14.527 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.641 -16.267 -0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.557 -16.112 -1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.345 -18.213 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.119 -18.400 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.412 -18.412 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.191 -17.767 -2.923 1.00 0.00 H new ATOM 269 N ASP A 20 -8.250 -16.141 1.356 1.00 0.00 N ATOM 270 CA ASP A 20 -8.002 -15.935 2.779 1.00 0.00 C ATOM 271 C ASP A 20 -6.662 -15.243 3.025 1.00 0.00 C ATOM 272 O ASP A 20 -6.415 -14.737 4.120 1.00 0.00 O ATOM 273 CB ASP A 20 -8.041 -17.272 3.520 1.00 0.00 C ATOM 274 CG ASP A 20 -9.433 -17.624 4.006 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.847 -17.093 5.057 1.00 0.00 O ATOM 276 OD2 ASP A 20 -10.109 -18.432 3.335 1.00 0.00 O ATOM 0 H ASP A 20 -8.218 -17.117 1.061 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.789 -15.285 3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.680 -18.061 2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.361 -17.232 4.371 1.00 0.00 H new ATOM 281 N ALA A 21 -5.804 -15.205 2.008 1.00 0.00 N ATOM 282 CA ALA A 21 -4.508 -14.552 2.142 1.00 0.00 C ATOM 283 C ALA A 21 -4.540 -13.171 1.500 1.00 0.00 C ATOM 284 O ALA A 21 -4.700 -13.037 0.286 1.00 0.00 O ATOM 285 CB ALA A 21 -3.411 -15.413 1.540 1.00 0.00 C ATOM 0 H ALA A 21 -5.982 -15.615 1.091 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.289 -14.426 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.451 -14.909 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.378 -16.373 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.616 -15.576 0.482 1.00 0.00 H new ATOM 291 N ILE A 22 -4.404 -12.148 2.331 1.00 0.00 N ATOM 292 CA ILE A 22 -4.435 -10.769 1.862 1.00 0.00 C ATOM 293 C ILE A 22 -3.040 -10.251 1.533 1.00 0.00 C ATOM 294 O ILE A 22 -2.131 -10.315 2.361 1.00 0.00 O ATOM 295 CB ILE A 22 -5.083 -9.839 2.906 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.404 -10.432 3.397 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.302 -8.454 2.317 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.935 -9.770 4.650 1.00 0.00 C ATOM 0 H ILE A 22 -4.271 -12.247 3.337 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.035 -10.765 0.952 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.410 -9.747 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.149 -10.344 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.266 -11.496 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.760 -7.808 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.344 -8.033 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.959 -8.527 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.874 -10.241 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.209 -9.881 5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.105 -8.711 4.458 1.00 0.00 H new ATOM 310 N LEU A 23 -2.885 -9.713 0.320 1.00 0.00 N ATOM 311 CA LEU A 23 -1.611 -9.160 -0.108 1.00 0.00 C ATOM 312 C LEU A 23 -1.211 -8.041 0.838 1.00 0.00 C ATOM 313 O LEU A 23 -1.739 -6.938 0.772 1.00 0.00 O ATOM 314 CB LEU A 23 -1.705 -8.622 -1.541 1.00 0.00 C ATOM 315 CG LEU A 23 -1.317 -9.615 -2.644 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.546 -10.365 -3.131 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.638 -8.888 -3.789 1.00 0.00 C ATOM 0 H LEU A 23 -3.628 -9.652 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.859 -9.949 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.727 -8.288 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.064 -7.744 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.614 -10.341 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.258 -11.067 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.992 -10.912 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.271 -9.655 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.368 -9.604 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.319 -8.144 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.261 -8.393 -3.423 1.00 0.00 H new ATOM 329 N VAL A 24 -0.299 -8.338 1.734 1.00 0.00 N ATOM 330 CA VAL A 24 0.140 -7.360 2.709 1.00 0.00 C ATOM 331 C VAL A 24 0.881 -6.211 2.056 1.00 0.00 C ATOM 332 O VAL A 24 1.405 -6.335 0.951 1.00 0.00 O ATOM 333 CB VAL A 24 1.017 -8.010 3.781 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.113 -7.123 5.012 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.450 -9.374 4.126 1.00 0.00 C ATOM 0 H VAL A 24 0.155 -9.248 1.810 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.755 -6.958 3.184 1.00 0.00 H new ATOM 0 HB VAL A 24 2.029 -8.135 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.741 -7.606 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.550 -6.163 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.117 -6.963 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.070 -9.843 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.566 -9.261 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.438 -9.999 3.233 1.00 0.00 H new ATOM 345 N GLU A 25 0.898 -5.093 2.752 1.00 0.00 N ATOM 346 CA GLU A 25 1.548 -3.899 2.265 1.00 0.00 C ATOM 347 C GLU A 25 3.008 -3.913 2.648 1.00 0.00 C ATOM 348 O GLU A 25 3.376 -3.637 3.788 1.00 0.00 O ATOM 349 CB GLU A 25 0.864 -2.646 2.815 1.00 0.00 C ATOM 350 CG GLU A 25 -0.188 -2.068 1.883 1.00 0.00 C ATOM 351 CD GLU A 25 0.343 -0.925 1.038 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.293 -0.248 1.485 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.193 -0.706 -0.068 1.00 0.00 O ATOM 0 H GLU A 25 0.462 -4.989 3.668 1.00 0.00 H new ATOM 0 HA GLU A 25 1.468 -3.879 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.398 -2.886 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.620 -1.886 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.560 -2.856 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.035 -1.716 2.472 1.00 0.00 H new ATOM 360 N ASP A 26 3.827 -4.234 1.673 1.00 0.00 N ATOM 361 CA ASP A 26 5.260 -4.287 1.843 1.00 0.00 C ATOM 362 C ASP A 26 5.680 -5.467 2.706 1.00 0.00 C ATOM 363 O ASP A 26 5.318 -5.566 3.875 1.00 0.00 O ATOM 364 CB ASP A 26 5.783 -2.981 2.441 1.00 0.00 C ATOM 365 CG ASP A 26 5.238 -1.749 1.743 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.020 -1.702 1.477 1.00 0.00 O ATOM 367 OD2 ASP A 26 6.035 -0.828 1.461 1.00 0.00 O ATOM 0 H ASP A 26 3.514 -4.468 0.731 1.00 0.00 H new ATOM 0 HA ASP A 26 5.700 -4.422 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.518 -2.940 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.871 -2.972 2.384 1.00 0.00 H new ATOM 372 N TYR A 27 6.454 -6.362 2.118 1.00 0.00 N ATOM 373 CA TYR A 27 6.934 -7.536 2.824 1.00 0.00 C ATOM 374 C TYR A 27 7.774 -8.387 1.892 1.00 0.00 C ATOM 375 O TYR A 27 7.736 -9.610 1.963 1.00 0.00 O ATOM 376 CB TYR A 27 5.766 -8.360 3.366 1.00 0.00 C ATOM 377 CG TYR A 27 5.896 -8.707 4.833 1.00 0.00 C ATOM 378 CD1 TYR A 27 6.267 -7.746 5.765 1.00 0.00 C ATOM 379 CD2 TYR A 27 5.646 -9.997 5.283 1.00 0.00 C ATOM 380 CE1 TYR A 27 6.386 -8.063 7.106 1.00 0.00 C ATOM 381 CE2 TYR A 27 5.763 -10.321 6.622 1.00 0.00 C ATOM 382 CZ TYR A 27 6.134 -9.351 7.528 1.00 0.00 C ATOM 383 OH TYR A 27 6.252 -9.670 8.861 1.00 0.00 O ATOM 0 H TYR A 27 6.765 -6.297 1.149 1.00 0.00 H new ATOM 0 HA TYR A 27 7.544 -7.207 3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.840 -7.806 3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.684 -9.281 2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.465 -6.736 5.438 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.355 -10.759 4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.675 -7.305 7.819 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.565 -11.329 6.956 1.00 0.00 H new ATOM 0 HH TYR A 27 6.039 -10.618 8.991 1.00 0.00 H new ATOM 393 N ARG A 28 8.527 -7.731 1.018 1.00 0.00 N ATOM 394 CA ARG A 28 9.382 -8.415 0.054 1.00 0.00 C ATOM 395 C ARG A 28 9.933 -7.397 -0.939 1.00 0.00 C ATOM 396 O ARG A 28 11.025 -6.863 -0.749 1.00 0.00 O ATOM 397 CB ARG A 28 8.601 -9.519 -0.672 1.00 0.00 C ATOM 398 CG ARG A 28 9.344 -10.115 -1.859 1.00 0.00 C ATOM 399 CD ARG A 28 8.605 -11.310 -2.437 1.00 0.00 C ATOM 400 NE ARG A 28 9.121 -11.690 -3.751 1.00 0.00 N ATOM 401 CZ ARG A 28 8.648 -12.709 -4.466 1.00 0.00 C ATOM 402 NH1 ARG A 28 7.652 -13.451 -3.999 1.00 0.00 N ATOM 403 NH2 ARG A 28 9.172 -12.986 -5.651 1.00 0.00 N ATOM 0 H ARG A 28 8.563 -6.713 0.957 1.00 0.00 H new ATOM 0 HA ARG A 28 10.213 -8.887 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.369 -10.314 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.650 -9.112 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.468 -9.355 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.343 -10.420 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.693 -12.155 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.544 -11.075 -2.518 1.00 0.00 H new ATOM 0 HE ARG A 28 9.888 -11.143 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.244 -13.242 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.294 -14.230 -4.551 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.937 -12.419 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.810 -13.766 -6.199 1.00 0.00 H new ATOM 417 N ALA A 29 9.154 -7.098 -1.974 1.00 0.00 N ATOM 418 CA ALA A 29 9.555 -6.107 -2.960 1.00 0.00 C ATOM 419 C ALA A 29 9.275 -4.716 -2.407 1.00 0.00 C ATOM 420 O ALA A 29 9.968 -3.749 -2.724 1.00 0.00 O ATOM 421 CB ALA A 29 8.820 -6.322 -4.273 1.00 0.00 C ATOM 0 H ALA A 29 8.245 -7.527 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 29 10.621 -6.209 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.136 -5.569 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.050 -7.315 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.746 -6.237 -4.107 1.00 0.00 H new ATOM 427 N GLY A 30 8.257 -4.640 -1.552 1.00 0.00 N ATOM 428 CA GLY A 30 7.890 -3.389 -0.924 1.00 0.00 C ATOM 429 C GLY A 30 6.514 -2.893 -1.338 1.00 0.00 C ATOM 430 O GLY A 30 6.005 -1.925 -0.775 1.00 0.00 O ATOM 0 H GLY A 30 7.676 -5.434 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.914 -3.512 0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.633 -2.632 -1.175 1.00 0.00 H new ATOM 434 N ASP A 31 5.903 -3.557 -2.313 1.00 0.00 N ATOM 435 CA ASP A 31 4.571 -3.180 -2.778 1.00 0.00 C ATOM 436 C ASP A 31 3.519 -3.980 -2.005 1.00 0.00 C ATOM 437 O ASP A 31 3.441 -3.871 -0.791 1.00 0.00 O ATOM 438 CB ASP A 31 4.465 -3.392 -4.294 1.00 0.00 C ATOM 439 CG ASP A 31 5.613 -2.752 -5.048 1.00 0.00 C ATOM 440 OD1 ASP A 31 5.739 -1.511 -4.998 1.00 0.00 O ATOM 441 OD2 ASP A 31 6.390 -3.493 -5.688 1.00 0.00 O ATOM 0 H ASP A 31 6.308 -4.359 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 31 4.391 -2.122 -2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.444 -4.461 -4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.523 -2.977 -4.651 1.00 0.00 H new ATOM 446 N MET A 32 2.717 -4.774 -2.700 1.00 0.00 N ATOM 447 CA MET A 32 1.687 -5.585 -2.064 1.00 0.00 C ATOM 448 C MET A 32 1.981 -7.061 -2.301 1.00 0.00 C ATOM 449 O MET A 32 1.892 -7.540 -3.430 1.00 0.00 O ATOM 450 CB MET A 32 0.330 -5.222 -2.647 1.00 0.00 C ATOM 451 CG MET A 32 -0.246 -3.929 -2.091 1.00 0.00 C ATOM 452 SD MET A 32 -1.946 -4.112 -1.518 1.00 0.00 S ATOM 453 CE MET A 32 -2.849 -3.470 -2.925 1.00 0.00 C ATOM 0 H MET A 32 2.761 -4.875 -3.714 1.00 0.00 H new ATOM 0 HA MET A 32 1.679 -5.394 -0.991 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.421 -5.133 -3.730 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.369 -6.035 -2.451 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.376 -3.585 -1.265 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.208 -3.159 -2.861 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.873 -3.843 -2.901 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.858 -2.381 -2.885 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.366 -3.795 -3.846 1.00 0.00 H new ATOM 463 N ILE A 33 2.363 -7.775 -1.246 1.00 0.00 N ATOM 464 CA ILE A 33 2.710 -9.184 -1.367 1.00 0.00 C ATOM 465 C ILE A 33 1.726 -10.105 -0.668 1.00 0.00 C ATOM 466 O ILE A 33 1.298 -9.850 0.458 1.00 0.00 O ATOM 467 CB ILE A 33 4.103 -9.466 -0.778 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.243 -10.963 -0.526 1.00 0.00 C ATOM 469 CG2 ILE A 33 4.310 -8.681 0.509 1.00 0.00 C ATOM 470 CD1 ILE A 33 5.653 -11.471 -0.574 1.00 0.00 C ATOM 0 H ILE A 33 2.439 -7.400 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 33 2.688 -9.389 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 33 4.867 -9.147 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.819 -11.196 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.651 -11.501 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.301 -8.894 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.224 -7.614 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.554 -8.972 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.660 -12.544 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.077 -11.274 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.248 -10.964 0.186 1.00 0.00 H new ATOM 482 N CYS A 34 1.433 -11.217 -1.327 1.00 0.00 N ATOM 483 CA CYS A 34 0.567 -12.229 -0.759 1.00 0.00 C ATOM 484 C CYS A 34 1.434 -13.237 -0.018 1.00 0.00 C ATOM 485 O CYS A 34 2.047 -14.092 -0.641 1.00 0.00 O ATOM 486 CB CYS A 34 -0.231 -12.933 -1.853 1.00 0.00 C ATOM 487 SG CYS A 34 -1.372 -14.192 -1.239 1.00 0.00 S ATOM 0 H CYS A 34 1.786 -11.438 -2.258 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.142 -11.762 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.796 -12.188 -2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.464 -13.398 -2.553 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.252 -15.272 -1.953 1.00 0.00 H new ATOM 493 N PRO A 35 1.490 -13.162 1.322 1.00 0.00 N ATOM 494 CA PRO A 35 2.308 -14.057 2.149 1.00 0.00 C ATOM 495 C PRO A 35 2.298 -15.505 1.675 1.00 0.00 C ATOM 496 O PRO A 35 3.190 -16.285 2.007 1.00 0.00 O ATOM 497 CB PRO A 35 1.683 -13.936 3.549 1.00 0.00 C ATOM 498 CG PRO A 35 0.517 -13.009 3.408 1.00 0.00 C ATOM 499 CD PRO A 35 0.744 -12.220 2.149 1.00 0.00 C ATOM 0 HA PRO A 35 3.360 -13.773 2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.363 -14.911 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.406 -13.546 4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.417 -13.568 3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.441 -12.348 4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.194 -11.922 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.310 -11.308 2.337 1.00 0.00 H new ATOM 507 N GLU A 36 1.279 -15.858 0.921 1.00 0.00 N ATOM 508 CA GLU A 36 1.123 -17.208 0.418 1.00 0.00 C ATOM 509 C GLU A 36 1.985 -17.426 -0.817 1.00 0.00 C ATOM 510 O GLU A 36 2.984 -18.140 -0.768 1.00 0.00 O ATOM 511 CB GLU A 36 -0.344 -17.455 0.101 1.00 0.00 C ATOM 512 CG GLU A 36 -1.198 -17.709 1.331 1.00 0.00 C ATOM 513 CD GLU A 36 -1.133 -19.145 1.805 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.016 -19.696 1.884 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.203 -19.718 2.096 1.00 0.00 O ATOM 0 H GLU A 36 0.536 -15.219 0.639 1.00 0.00 H new ATOM 0 HA GLU A 36 1.451 -17.916 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.741 -16.593 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.423 -18.311 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.872 -17.051 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.233 -17.451 1.108 1.00 0.00 H new ATOM 522 N CYS A 37 1.633 -16.762 -1.910 1.00 0.00 N ATOM 523 CA CYS A 37 2.426 -16.862 -3.130 1.00 0.00 C ATOM 524 C CYS A 37 3.502 -15.803 -3.074 1.00 0.00 C ATOM 525 O CYS A 37 4.495 -15.861 -3.789 1.00 0.00 O ATOM 526 CB CYS A 37 1.578 -16.671 -4.394 1.00 0.00 C ATOM 527 SG CYS A 37 0.435 -15.275 -4.332 1.00 0.00 S ATOM 0 H CYS A 37 0.815 -16.156 -1.979 1.00 0.00 H new ATOM 0 HA CYS A 37 2.856 -17.862 -3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.245 -16.539 -5.246 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.008 -17.582 -4.574 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.675 -15.648 -3.767 1.00 0.00 H new ATOM 533 N GLY A 38 3.259 -14.829 -2.207 1.00 0.00 N ATOM 534 CA GLY A 38 4.157 -13.725 -2.013 1.00 0.00 C ATOM 535 C GLY A 38 4.239 -12.840 -3.231 1.00 0.00 C ATOM 536 O GLY A 38 5.203 -12.099 -3.424 1.00 0.00 O ATOM 0 H GLY A 38 2.425 -14.793 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.826 -13.135 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.150 -14.104 -1.773 1.00 0.00 H new ATOM 540 N LEU A 39 3.204 -12.913 -4.047 1.00 0.00 N ATOM 541 CA LEU A 39 3.123 -12.109 -5.248 1.00 0.00 C ATOM 542 C LEU A 39 3.196 -10.640 -4.864 1.00 0.00 C ATOM 543 O LEU A 39 2.636 -10.244 -3.850 1.00 0.00 O ATOM 544 CB LEU A 39 1.810 -12.394 -5.978 1.00 0.00 C ATOM 545 CG LEU A 39 0.630 -11.559 -5.493 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.564 -10.275 -6.280 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.676 -12.323 -5.596 1.00 0.00 C ATOM 0 H LEU A 39 2.403 -13.526 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 39 3.951 -12.356 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.954 -12.215 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.565 -13.450 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 39 0.782 -11.327 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.280 -9.678 -5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.488 -9.714 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.436 -10.503 -7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.494 -11.695 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.855 -12.599 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.619 -13.224 -4.986 1.00 0.00 H new ATOM 559 N VAL A 40 3.894 -9.843 -5.654 1.00 0.00 N ATOM 560 CA VAL A 40 4.037 -8.433 -5.359 1.00 0.00 C ATOM 561 C VAL A 40 3.325 -7.595 -6.403 1.00 0.00 C ATOM 562 O VAL A 40 3.507 -7.797 -7.604 1.00 0.00 O ATOM 563 CB VAL A 40 5.520 -8.024 -5.286 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.664 -6.655 -4.639 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.324 -9.072 -4.526 1.00 0.00 C ATOM 0 H VAL A 40 4.369 -10.150 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 40 3.582 -8.253 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 40 5.914 -7.962 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.718 -6.382 -4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.122 -5.915 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.255 -6.685 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.370 -8.768 -4.483 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.932 -9.167 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.246 -10.032 -5.037 1.00 0.00 H new ATOM 575 N VAL A 41 2.520 -6.643 -5.946 1.00 0.00 N ATOM 576 CA VAL A 41 1.793 -5.766 -6.846 1.00 0.00 C ATOM 577 C VAL A 41 1.994 -4.311 -6.442 1.00 0.00 C ATOM 578 O VAL A 41 1.812 -3.953 -5.280 1.00 0.00 O ATOM 579 CB VAL A 41 0.278 -6.053 -6.844 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.408 -5.323 -7.986 1.00 0.00 C ATOM 581 CG2 VAL A 41 0.014 -7.540 -6.915 1.00 0.00 C ATOM 0 H VAL A 41 2.356 -6.461 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 41 2.187 -5.952 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.139 -5.682 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.476 -5.539 -7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.253 -4.250 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.012 -5.656 -8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.061 -7.719 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.447 -7.943 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.466 -8.031 -6.053 1.00 0.00 H new ATOM 591 N GLY A 42 2.356 -3.476 -7.406 1.00 0.00 N ATOM 592 CA GLY A 42 2.562 -2.076 -7.128 1.00 0.00 C ATOM 593 C GLY A 42 3.949 -1.626 -7.491 1.00 0.00 C ATOM 594 O GLY A 42 4.835 -2.448 -7.721 1.00 0.00 O ATOM 0 H GLY A 42 2.510 -3.748 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.833 -1.486 -7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.386 -1.887 -6.069 1.00 0.00 H new ATOM 598 N ASP A 43 4.118 -0.314 -7.540 1.00 0.00 N ATOM 599 CA ASP A 43 5.385 0.321 -7.877 1.00 0.00 C ATOM 600 C ASP A 43 5.107 1.503 -8.790 1.00 0.00 C ATOM 601 O ASP A 43 5.509 2.632 -8.507 1.00 0.00 O ATOM 602 CB ASP A 43 6.360 -0.651 -8.563 1.00 0.00 C ATOM 603 CG ASP A 43 7.584 0.048 -9.126 1.00 0.00 C ATOM 604 OD1 ASP A 43 8.126 0.942 -8.441 1.00 0.00 O ATOM 605 OD2 ASP A 43 8.001 -0.300 -10.251 1.00 0.00 O ATOM 0 H ASP A 43 3.369 0.350 -7.344 1.00 0.00 H new ATOM 0 HA ASP A 43 5.860 0.649 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.677 -1.408 -7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.841 -1.172 -9.368 1.00 0.00 H new ATOM 610 N ARG A 44 4.408 1.233 -9.890 1.00 0.00 N ATOM 611 CA ARG A 44 4.055 2.264 -10.861 1.00 0.00 C ATOM 612 C ARG A 44 5.280 3.066 -11.293 1.00 0.00 C ATOM 613 O ARG A 44 6.416 2.689 -11.004 1.00 0.00 O ATOM 614 CB ARG A 44 2.989 3.196 -10.280 1.00 0.00 C ATOM 615 CG ARG A 44 1.640 3.077 -10.968 1.00 0.00 C ATOM 616 CD ARG A 44 1.657 3.722 -12.345 1.00 0.00 C ATOM 617 NE ARG A 44 2.393 2.918 -13.320 1.00 0.00 N ATOM 618 CZ ARG A 44 1.865 1.899 -13.995 1.00 0.00 C ATOM 619 NH1 ARG A 44 0.601 1.547 -13.801 1.00 0.00 N ATOM 620 NH2 ARG A 44 2.607 1.228 -14.867 1.00 0.00 N ATOM 0 H ARG A 44 4.073 0.300 -10.132 1.00 0.00 H new ATOM 0 HA ARG A 44 3.652 1.768 -11.744 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.867 2.979 -9.219 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.337 4.226 -10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.370 2.025 -11.061 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.874 3.550 -10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.633 3.863 -12.691 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.110 4.711 -12.276 1.00 0.00 H new ATOM 0 HE ARG A 44 3.370 3.152 -13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.026 2.058 -13.131 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.204 0.765 -14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.580 1.493 -15.019 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.204 0.447 -15.385 1.00 0.00 H new ATOM 634 N VAL A 45 5.038 4.173 -11.985 1.00 0.00 N ATOM 635 CA VAL A 45 6.120 5.031 -12.458 1.00 0.00 C ATOM 636 C VAL A 45 6.360 6.194 -11.499 1.00 0.00 C ATOM 637 O VAL A 45 7.269 6.147 -10.670 1.00 0.00 O ATOM 638 CB VAL A 45 5.853 5.585 -13.881 1.00 0.00 C ATOM 639 CG1 VAL A 45 6.539 4.716 -14.924 1.00 0.00 C ATOM 640 CG2 VAL A 45 4.361 5.686 -14.173 1.00 0.00 C ATOM 0 H VAL A 45 4.103 4.498 -12.231 1.00 0.00 H new ATOM 0 HA VAL A 45 7.011 4.405 -12.499 1.00 0.00 H new ATOM 0 HB VAL A 45 6.269 6.592 -13.928 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.343 5.117 -15.918 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.614 4.708 -14.742 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.153 3.699 -14.861 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.213 6.078 -15.179 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.908 4.697 -14.098 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.893 6.355 -13.450 1.00 0.00 H new ATOM 650 N ILE A 46 5.544 7.237 -11.611 1.00 0.00 N ATOM 651 CA ILE A 46 5.676 8.405 -10.749 1.00 0.00 C ATOM 652 C ILE A 46 4.907 8.213 -9.446 1.00 0.00 C ATOM 653 O ILE A 46 3.717 7.896 -9.457 1.00 0.00 O ATOM 654 CB ILE A 46 5.169 9.683 -11.446 1.00 0.00 C ATOM 655 CG1 ILE A 46 5.688 9.750 -12.885 1.00 0.00 C ATOM 656 CG2 ILE A 46 5.595 10.915 -10.663 1.00 0.00 C ATOM 657 CD1 ILE A 46 4.624 9.471 -13.924 1.00 0.00 C ATOM 0 H ILE A 46 4.785 7.297 -12.290 1.00 0.00 H new ATOM 0 HA ILE A 46 6.738 8.518 -10.531 1.00 0.00 H new ATOM 0 HB ILE A 46 4.080 9.654 -11.477 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.110 10.739 -13.065 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.499 9.031 -13.004 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.230 11.810 -11.167 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.178 10.869 -9.657 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.683 10.950 -10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.062 9.535 -14.920 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.218 8.471 -13.770 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.824 10.205 -13.832 1.00 0.00 H new ATOM 669 N ASP A 47 5.593 8.408 -8.325 1.00 0.00 N ATOM 670 CA ASP A 47 4.973 8.257 -7.014 1.00 0.00 C ATOM 671 C ASP A 47 3.858 9.281 -6.819 1.00 0.00 C ATOM 672 O ASP A 47 2.676 8.941 -6.857 1.00 0.00 O ATOM 673 CB ASP A 47 6.019 8.407 -5.909 1.00 0.00 C ATOM 674 CG ASP A 47 7.020 7.269 -5.901 1.00 0.00 C ATOM 675 OD1 ASP A 47 6.587 6.097 -5.917 1.00 0.00 O ATOM 676 OD2 ASP A 47 8.237 7.548 -5.879 1.00 0.00 O ATOM 0 H ASP A 47 6.578 8.671 -8.298 1.00 0.00 H new ATOM 0 HA ASP A 47 4.539 7.258 -6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.548 9.351 -6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.518 8.453 -4.942 1.00 0.00 H new ATOM 681 N VAL A 48 4.244 10.535 -6.612 1.00 0.00 N ATOM 682 CA VAL A 48 3.278 11.609 -6.411 1.00 0.00 C ATOM 683 C VAL A 48 3.843 12.949 -6.870 1.00 0.00 C ATOM 684 O VAL A 48 5.044 13.196 -6.766 1.00 0.00 O ATOM 685 CB VAL A 48 2.862 11.721 -4.932 1.00 0.00 C ATOM 686 CG1 VAL A 48 1.715 12.708 -4.773 1.00 0.00 C ATOM 687 CG2 VAL A 48 2.482 10.356 -4.380 1.00 0.00 C ATOM 0 H VAL A 48 5.219 10.833 -6.579 1.00 0.00 H new ATOM 0 HA VAL A 48 2.401 11.362 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 48 3.712 12.094 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.435 12.774 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.028 13.690 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.859 12.368 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.191 10.455 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.647 9.952 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.335 9.682 -4.457 1.00 0.00 H new ATOM 697 N GLY A 49 2.968 13.811 -7.379 1.00 0.00 N ATOM 698 CA GLY A 49 3.399 15.116 -7.846 1.00 0.00 C ATOM 699 C GLY A 49 2.427 15.730 -8.833 1.00 0.00 C ATOM 700 O GLY A 49 2.321 16.952 -8.933 1.00 0.00 O ATOM 0 H GLY A 49 1.969 13.629 -7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.515 15.784 -6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.379 15.025 -8.315 1.00 0.00 H new ATOM 704 N SER A 50 1.714 14.879 -9.565 1.00 0.00 N ATOM 705 CA SER A 50 0.745 15.345 -10.550 1.00 0.00 C ATOM 706 C SER A 50 -0.456 15.991 -9.867 1.00 0.00 C ATOM 707 O SER A 50 -0.780 17.149 -10.125 1.00 0.00 O ATOM 708 CB SER A 50 0.283 14.182 -11.429 1.00 0.00 C ATOM 709 OG SER A 50 1.361 13.647 -12.179 1.00 0.00 O ATOM 0 H SER A 50 1.789 13.864 -9.494 1.00 0.00 H new ATOM 0 HA SER A 50 1.230 16.094 -11.176 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.152 13.401 -10.805 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.501 14.523 -12.106 1.00 0.00 H new ATOM 0 HG SER A 50 1.039 12.904 -12.731 1.00 0.00 H new ATOM 715 N GLU A 51 -1.111 15.232 -8.994 1.00 0.00 N ATOM 716 CA GLU A 51 -2.276 15.732 -8.273 1.00 0.00 C ATOM 717 C GLU A 51 -1.864 16.744 -7.209 1.00 0.00 C ATOM 718 O GLU A 51 -0.730 16.728 -6.728 1.00 0.00 O ATOM 719 CB GLU A 51 -3.037 14.572 -7.625 1.00 0.00 C ATOM 720 CG GLU A 51 -4.184 14.050 -8.474 1.00 0.00 C ATOM 721 CD GLU A 51 -5.476 14.806 -8.236 1.00 0.00 C ATOM 722 OE1 GLU A 51 -6.212 14.440 -7.296 1.00 0.00 O ATOM 723 OE2 GLU A 51 -5.752 15.762 -8.990 1.00 0.00 O ATOM 0 H GLU A 51 -0.855 14.270 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.929 16.231 -8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.341 13.757 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.428 14.898 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.914 14.122 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.340 12.993 -8.257 1.00 0.00 H new ATOM 730 N TRP A 52 -2.792 17.624 -6.847 1.00 0.00 N ATOM 731 CA TRP A 52 -2.525 18.644 -5.840 1.00 0.00 C ATOM 732 C TRP A 52 -2.257 18.009 -4.479 1.00 0.00 C ATOM 733 O TRP A 52 -1.113 17.940 -4.030 1.00 0.00 O ATOM 734 CB TRP A 52 -3.706 19.613 -5.739 1.00 0.00 C ATOM 735 CG TRP A 52 -3.723 20.648 -6.824 1.00 0.00 C ATOM 736 CD1 TRP A 52 -2.669 21.044 -7.597 1.00 0.00 C ATOM 737 CD2 TRP A 52 -4.849 21.421 -7.254 1.00 0.00 C ATOM 738 NE1 TRP A 52 -3.073 22.016 -8.482 1.00 0.00 N ATOM 739 CE2 TRP A 52 -4.406 22.264 -8.290 1.00 0.00 C ATOM 740 CE3 TRP A 52 -6.190 21.480 -6.863 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -5.256 23.155 -8.941 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -7.033 22.366 -7.509 1.00 0.00 C ATOM 743 CH2 TRP A 52 -6.563 23.192 -8.538 1.00 0.00 C ATOM 0 H TRP A 52 -3.735 17.651 -7.236 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.636 19.195 -6.145 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.636 19.045 -5.774 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.674 20.113 -4.771 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.666 20.651 -7.524 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.477 22.477 -9.169 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -6.561 20.846 -6.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.897 23.793 -9.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -8.071 22.422 -7.215 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -7.247 23.872 -9.024 1.00 0.00 H new ATOM 754 N ARG A 53 -3.319 17.544 -3.829 1.00 0.00 N ATOM 755 CA ARG A 53 -3.198 16.913 -2.520 1.00 0.00 C ATOM 756 C ARG A 53 -2.584 17.875 -1.506 1.00 0.00 C ATOM 757 O ARG A 53 -1.362 18.006 -1.423 1.00 0.00 O ATOM 758 CB ARG A 53 -2.348 15.646 -2.618 1.00 0.00 C ATOM 759 CG ARG A 53 -2.824 14.522 -1.712 1.00 0.00 C ATOM 760 CD ARG A 53 -2.657 14.881 -0.245 1.00 0.00 C ATOM 761 NE ARG A 53 -3.360 13.946 0.631 1.00 0.00 N ATOM 762 CZ ARG A 53 -3.290 13.980 1.959 1.00 0.00 C ATOM 763 NH1 ARG A 53 -2.552 14.898 2.569 1.00 0.00 N ATOM 764 NH2 ARG A 53 -3.962 13.093 2.681 1.00 0.00 N ATOM 0 H ARG A 53 -4.273 17.592 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.198 16.645 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.351 15.295 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.316 15.891 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.872 14.307 -1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.263 13.614 -1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.597 14.888 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.032 15.890 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.938 13.225 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.034 15.583 2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.503 14.918 3.588 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.532 12.385 2.218 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.909 13.119 3.699 1.00 0.00 H new ATOM 778 N THR A 54 -3.438 18.543 -0.739 1.00 0.00 N ATOM 779 CA THR A 54 -2.979 19.491 0.269 1.00 0.00 C ATOM 780 C THR A 54 -4.046 19.711 1.336 1.00 0.00 C ATOM 781 O THR A 54 -5.178 19.247 1.201 1.00 0.00 O ATOM 782 CB THR A 54 -2.614 20.825 -0.384 1.00 0.00 C ATOM 783 OG1 THR A 54 -2.081 20.620 -1.681 1.00 0.00 O ATOM 784 CG2 THR A 54 -1.601 21.622 0.408 1.00 0.00 C ATOM 0 H THR A 54 -4.452 18.446 -0.796 1.00 0.00 H new ATOM 0 HA THR A 54 -2.093 19.073 0.747 1.00 0.00 H new ATOM 0 HB THR A 54 -3.545 21.390 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.855 21.485 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.387 22.556 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.003 21.840 1.397 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.682 21.044 0.509 1.00 0.00 H new ATOM 792 N PHE A 55 -3.677 20.420 2.398 1.00 0.00 N ATOM 793 CA PHE A 55 -4.603 20.701 3.489 1.00 0.00 C ATOM 794 C PHE A 55 -4.800 22.205 3.661 1.00 0.00 C ATOM 795 O PHE A 55 -4.545 22.757 4.731 1.00 0.00 O ATOM 796 CB PHE A 55 -4.088 20.086 4.792 1.00 0.00 C ATOM 797 CG PHE A 55 -2.668 20.459 5.113 1.00 0.00 C ATOM 798 CD1 PHE A 55 -1.611 19.829 4.475 1.00 0.00 C ATOM 799 CD2 PHE A 55 -2.391 21.438 6.053 1.00 0.00 C ATOM 800 CE1 PHE A 55 -0.304 20.169 4.768 1.00 0.00 C ATOM 801 CE2 PHE A 55 -1.086 21.782 6.352 1.00 0.00 C ATOM 802 CZ PHE A 55 -0.042 21.147 5.708 1.00 0.00 C ATOM 0 H PHE A 55 -2.743 20.810 2.526 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.566 20.254 3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.732 20.402 5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.164 19.001 4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.811 19.063 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.204 21.938 6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.511 19.671 4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.883 22.546 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.978 21.415 5.939 1.00 0.00 H new ATOM 812 N SER A 56 -5.255 22.861 2.599 1.00 0.00 N ATOM 813 CA SER A 56 -5.488 24.300 2.632 1.00 0.00 C ATOM 814 C SER A 56 -4.196 25.053 2.934 1.00 0.00 C ATOM 815 O SER A 56 -3.122 24.456 3.015 1.00 0.00 O ATOM 816 CB SER A 56 -6.549 24.644 3.678 1.00 0.00 C ATOM 817 OG SER A 56 -7.724 23.876 3.482 1.00 0.00 O ATOM 0 H SER A 56 -5.470 22.419 1.705 1.00 0.00 H new ATOM 0 HA SER A 56 -5.846 24.607 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.153 24.461 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.790 25.705 3.621 1.00 0.00 H new ATOM 0 HG SER A 56 -8.387 24.113 4.164 1.00 0.00 H new ATOM 823 N ASN A 57 -4.306 26.367 3.101 1.00 0.00 N ATOM 824 CA ASN A 57 -3.146 27.201 3.395 1.00 0.00 C ATOM 825 C ASN A 57 -3.254 27.813 4.789 1.00 0.00 C ATOM 826 O ASN A 57 -4.178 27.508 5.542 1.00 0.00 O ATOM 827 CB ASN A 57 -3.010 28.308 2.347 1.00 0.00 C ATOM 828 CG ASN A 57 -2.034 27.944 1.246 1.00 0.00 C ATOM 829 OD1 ASN A 57 -1.788 26.767 0.983 1.00 0.00 O ATOM 830 ND2 ASN A 57 -1.473 28.957 0.595 1.00 0.00 N ATOM 0 H ASN A 57 -5.187 26.877 3.038 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.258 26.570 3.364 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.987 28.513 1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.680 29.226 2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.808 28.775 -0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.707 29.917 0.847 1.00 0.00 H new ATOM 837 N ASP A 58 -2.302 28.678 5.124 1.00 0.00 N ATOM 838 CA ASP A 58 -2.289 29.333 6.426 1.00 0.00 C ATOM 839 C ASP A 58 -2.803 30.766 6.320 1.00 0.00 C ATOM 840 O ASP A 58 -3.458 31.270 7.232 1.00 0.00 O ATOM 841 CB ASP A 58 -0.873 29.329 7.008 1.00 0.00 C ATOM 842 CG ASP A 58 -0.847 29.737 8.467 1.00 0.00 C ATOM 843 OD1 ASP A 58 -1.354 28.964 9.309 1.00 0.00 O ATOM 844 OD2 ASP A 58 -0.319 30.827 8.770 1.00 0.00 O ATOM 0 H ASP A 58 -1.530 28.941 4.512 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.950 28.777 7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.443 28.333 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.245 30.008 6.432 1.00 0.00 H new ATOM 849 N LYS A 59 -2.502 31.415 5.200 1.00 0.00 N ATOM 850 CA LYS A 59 -2.937 32.790 4.974 1.00 0.00 C ATOM 851 C LYS A 59 -4.319 32.824 4.332 1.00 0.00 C ATOM 852 O LYS A 59 -4.859 31.739 4.033 1.00 0.00 O ATOM 853 CB LYS A 59 -1.929 33.525 4.087 1.00 0.00 C ATOM 854 CG LYS A 59 -0.865 34.278 4.870 1.00 0.00 C ATOM 855 CD LYS A 59 0.506 33.640 4.707 1.00 0.00 C ATOM 856 CE LYS A 59 0.544 32.238 5.296 1.00 0.00 C ATOM 857 NZ LYS A 59 0.626 31.193 4.239 1.00 0.00 N ATOM 0 H LYS A 59 -1.960 31.013 4.436 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.994 33.292 5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.443 32.804 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.464 34.228 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.828 35.313 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.135 34.297 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.765 33.598 3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.257 34.261 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.401 32.148 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.348 32.074 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.056 30.435 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.404 31.616 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.587 30.797 4.216 1.00 0.00 H new TER 871 LYS A 59