USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 635 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 23 THR OG1 : rot -42:sc= 1.28 USER MOD Set 1.2: A 26 THR OG1 : rot -150:sc= 1.55 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 8 THR OG1 : rot 53:sc= 0.438 USER MOD Single : A 13 GLN : amide:sc= -0.154 K(o=-0.15,f=-3.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.544 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.063 USER MOD Single : A 38 SER OG : rot 111:sc= 0.159 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -2.19 F(o=-3!,f=-2.2) USER MOD Single : A 40 MET CE :methyl -173:sc=-0.00194 (180deg=-0.111) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 45 SER OG : rot 73:sc= 1.11 USER MOD Single : A 49 HIS :FLIP no HD1:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 50 TYR OH : rot -72:sc=-0.00025 USER MOD Single : A 51 LYS NZ :NH3+ -137:sc= 0.358 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0.378 (180deg=0.377) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.52 F(o=-2.1!,f=-1.5) USER MOD Single : A 74 LYS NZ :NH3+ -125:sc= -0.37 (180deg=-0.499) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 0.675 (180deg=0.668) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= -1.1 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -9.888 3.865 6.912 1.00 0.00 N ATOM 21 CA PRO A 2 -9.550 5.311 6.892 1.00 0.00 C ATOM 22 C PRO A 2 -8.719 5.690 5.647 1.00 0.00 C ATOM 23 O PRO A 2 -7.833 6.543 5.723 1.00 0.00 O ATOM 24 CB PRO A 2 -8.731 5.420 8.199 1.00 0.00 C ATOM 25 CG PRO A 2 -7.924 4.151 8.251 1.00 0.00 C ATOM 26 CD PRO A 2 -8.707 3.107 7.453 1.00 0.00 C ATOM 0 HA PRO A 2 -10.407 5.982 6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.087 6.299 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.382 5.511 9.068 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.933 4.303 7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.780 3.824 9.281 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.103 2.685 6.650 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.022 2.277 8.085 1.00 0.00 H new ATOM 34 N THR A 3 -9.071 5.073 4.504 1.00 0.00 N ATOM 35 CA THR A 3 -8.247 5.067 3.281 1.00 0.00 C ATOM 36 C THR A 3 -7.855 6.491 2.790 1.00 0.00 C ATOM 37 O THR A 3 -6.726 6.907 3.011 1.00 0.00 O ATOM 38 CB THR A 3 -8.946 4.210 2.158 1.00 0.00 C ATOM 39 OG1 THR A 3 -10.366 4.446 2.165 1.00 0.00 O ATOM 40 CG2 THR A 3 -8.662 2.698 2.326 1.00 0.00 C ATOM 0 H THR A 3 -9.946 4.559 4.403 1.00 0.00 H new ATOM 0 HA THR A 3 -7.298 4.593 3.532 1.00 0.00 H new ATOM 0 HB THR A 3 -8.529 4.522 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.790 3.910 1.463 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.162 2.143 1.532 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.588 2.521 2.271 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.036 2.363 3.293 1.00 0.00 H new ATOM 48 N LEU A 4 -8.779 7.239 2.171 1.00 0.00 N ATOM 49 CA LEU A 4 -8.502 8.634 1.730 1.00 0.00 C ATOM 50 C LEU A 4 -8.548 9.598 2.932 1.00 0.00 C ATOM 51 O LEU A 4 -7.780 10.560 2.996 1.00 0.00 O ATOM 52 CB LEU A 4 -9.519 9.092 0.656 1.00 0.00 C ATOM 53 CG LEU A 4 -9.541 8.277 -0.674 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.621 8.825 -1.631 1.00 0.00 C ATOM 55 CD2 LEU A 4 -8.145 8.248 -1.343 1.00 0.00 C ATOM 0 H LEU A 4 -9.722 6.914 1.960 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.504 8.652 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.517 9.057 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.313 10.135 0.414 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.800 7.246 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.620 8.243 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.599 8.751 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.408 9.869 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.196 7.672 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.828 9.266 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.427 7.785 -0.666 1.00 0.00 H new ATOM 67 N ASP A 5 -9.463 9.284 3.878 1.00 0.00 N ATOM 68 CA ASP A 5 -9.801 10.128 5.064 1.00 0.00 C ATOM 69 C ASP A 5 -8.552 10.530 5.869 1.00 0.00 C ATOM 70 O ASP A 5 -8.287 11.719 6.081 1.00 0.00 O ATOM 71 CB ASP A 5 -10.776 9.376 6.013 1.00 0.00 C ATOM 72 CG ASP A 5 -11.902 8.661 5.269 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.707 7.487 4.884 1.00 0.00 O ATOM 74 OD2 ASP A 5 -12.974 9.259 5.054 1.00 0.00 O ATOM 0 H ASP A 5 -10.003 8.419 3.844 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.272 11.031 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.215 8.647 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.208 10.086 6.718 1.00 0.00 H new ATOM 79 N ALA A 6 -7.783 9.513 6.274 1.00 0.00 N ATOM 80 CA ALA A 6 -6.595 9.676 7.131 1.00 0.00 C ATOM 81 C ALA A 6 -5.417 10.251 6.325 1.00 0.00 C ATOM 82 O ALA A 6 -4.514 10.868 6.892 1.00 0.00 O ATOM 83 CB ALA A 6 -6.213 8.327 7.771 1.00 0.00 C ATOM 0 H ALA A 6 -7.966 8.543 6.016 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.834 10.382 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.334 8.460 8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.043 7.964 8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.991 7.602 6.987 1.00 0.00 H new ATOM 89 N LEU A 7 -5.443 10.044 4.993 1.00 0.00 N ATOM 90 CA LEU A 7 -4.390 10.537 4.091 1.00 0.00 C ATOM 91 C LEU A 7 -4.535 12.038 3.799 1.00 0.00 C ATOM 92 O LEU A 7 -3.541 12.689 3.521 1.00 0.00 O ATOM 93 CB LEU A 7 -4.359 9.744 2.756 1.00 0.00 C ATOM 94 CG LEU A 7 -3.968 8.236 2.846 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.719 7.645 1.442 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.767 7.998 3.783 1.00 0.00 C ATOM 0 H LEU A 7 -6.189 9.535 4.518 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.446 10.380 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.345 9.813 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.658 10.238 2.083 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.814 7.709 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.448 6.593 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.625 7.736 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.908 8.188 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.534 6.934 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.902 8.549 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.015 8.343 4.787 1.00 0.00 H new ATOM 108 N THR A 8 -5.769 12.587 3.854 1.00 0.00 N ATOM 109 CA THR A 8 -6.019 14.004 3.473 1.00 0.00 C ATOM 110 C THR A 8 -5.169 15.023 4.320 1.00 0.00 C ATOM 111 O THR A 8 -4.533 15.904 3.720 1.00 0.00 O ATOM 112 CB THR A 8 -7.548 14.370 3.489 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.281 13.371 2.761 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.822 15.751 2.852 1.00 0.00 C ATOM 0 H THR A 8 -6.602 12.081 4.154 1.00 0.00 H new ATOM 0 HA THR A 8 -5.680 14.096 2.441 1.00 0.00 H new ATOM 0 HB THR A 8 -7.868 14.408 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.056 12.482 3.108 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.891 15.961 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.283 16.520 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.485 15.747 1.815 1.00 0.00 H new ATOM 122 N PRO A 9 -5.096 14.916 5.708 1.00 0.00 N ATOM 123 CA PRO A 9 -4.173 15.759 6.521 1.00 0.00 C ATOM 124 C PRO A 9 -2.675 15.484 6.223 1.00 0.00 C ATOM 125 O PRO A 9 -1.845 16.403 6.326 1.00 0.00 O ATOM 126 CB PRO A 9 -4.543 15.418 7.998 1.00 0.00 C ATOM 127 CG PRO A 9 -5.897 14.772 7.914 1.00 0.00 C ATOM 128 CD PRO A 9 -5.907 14.035 6.594 1.00 0.00 C ATOM 0 HA PRO A 9 -4.293 16.818 6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.811 14.745 8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.570 16.315 8.616 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.059 14.088 8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.691 15.517 7.954 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.469 13.041 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.920 13.904 6.214 1.00 0.00 H new ATOM 136 N ILE A 10 -2.346 14.226 5.817 1.00 0.00 N ATOM 137 CA ILE A 10 -0.955 13.828 5.478 1.00 0.00 C ATOM 138 C ILE A 10 -0.474 14.618 4.251 1.00 0.00 C ATOM 139 O ILE A 10 0.528 15.317 4.314 1.00 0.00 O ATOM 140 CB ILE A 10 -0.804 12.279 5.169 1.00 0.00 C ATOM 141 CG1 ILE A 10 -1.200 11.400 6.398 1.00 0.00 C ATOM 142 CG2 ILE A 10 0.635 11.938 4.678 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.295 11.537 7.611 1.00 0.00 C ATOM 0 H ILE A 10 -3.027 13.473 5.718 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.349 14.051 6.356 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.499 12.044 4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.218 11.655 6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.210 10.355 6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.706 10.870 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.850 12.496 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.356 12.210 5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.655 10.887 8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.722 11.251 7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.302 12.571 7.955 1.00 0.00 H new ATOM 155 N PHE A 11 -1.248 14.510 3.155 1.00 0.00 N ATOM 156 CA PHE A 11 -0.897 15.070 1.840 1.00 0.00 C ATOM 157 C PHE A 11 -0.877 16.606 1.902 1.00 0.00 C ATOM 158 O PHE A 11 0.064 17.235 1.417 1.00 0.00 O ATOM 159 CB PHE A 11 -1.880 14.552 0.743 1.00 0.00 C ATOM 160 CG PHE A 11 -1.680 13.081 0.330 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.640 12.058 1.279 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.520 12.723 -1.010 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.461 10.740 0.906 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.342 11.403 -1.375 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.312 10.414 -0.422 1.00 0.00 C ATOM 0 H PHE A 11 -2.145 14.025 3.160 1.00 0.00 H new ATOM 0 HA PHE A 11 0.104 14.734 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.901 14.677 1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.776 15.179 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.751 12.302 2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.536 13.489 -1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.438 9.965 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.226 11.146 -2.418 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.172 9.384 -0.715 1.00 0.00 H new ATOM 175 N ARG A 12 -1.890 17.199 2.560 1.00 0.00 N ATOM 176 CA ARG A 12 -1.953 18.664 2.769 1.00 0.00 C ATOM 177 C ARG A 12 -0.702 19.176 3.524 1.00 0.00 C ATOM 178 O ARG A 12 -0.213 20.265 3.240 1.00 0.00 O ATOM 179 CB ARG A 12 -3.259 19.067 3.513 1.00 0.00 C ATOM 180 CG ARG A 12 -4.530 19.047 2.626 1.00 0.00 C ATOM 181 CD ARG A 12 -5.804 19.469 3.385 1.00 0.00 C ATOM 182 NE ARG A 12 -6.953 19.640 2.472 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.249 19.493 2.791 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.620 19.084 3.994 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.171 19.732 1.876 1.00 0.00 N ATOM 0 H ARG A 12 -2.679 16.689 2.958 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.966 19.139 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.407 18.391 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.134 20.068 3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.383 19.713 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.669 18.044 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.045 18.718 4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.619 20.403 3.916 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.741 19.894 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.915 18.873 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.610 18.979 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.895 20.025 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.159 19.624 2.107 1.00 0.00 H new ATOM 199 N GLN A 13 -0.186 18.374 4.470 1.00 0.00 N ATOM 200 CA GLN A 13 1.041 18.713 5.221 1.00 0.00 C ATOM 201 C GLN A 13 2.297 18.607 4.321 1.00 0.00 C ATOM 202 O GLN A 13 3.097 19.552 4.244 1.00 0.00 O ATOM 203 CB GLN A 13 1.182 17.795 6.470 1.00 0.00 C ATOM 204 CG GLN A 13 2.449 18.024 7.329 1.00 0.00 C ATOM 205 CD GLN A 13 2.487 19.351 8.113 1.00 0.00 C ATOM 206 OE1 GLN A 13 1.885 20.355 7.727 1.00 0.00 O ATOM 207 NE2 GLN A 13 3.222 19.365 9.216 1.00 0.00 N ATOM 0 H GLN A 13 -0.600 17.481 4.736 1.00 0.00 H new ATOM 0 HA GLN A 13 0.958 19.747 5.555 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.306 17.936 7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.172 16.757 6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.540 17.201 8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.322 17.982 6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.710 18.521 9.514 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.299 20.220 9.767 1.00 0.00 H new ATOM 216 N VAL A 14 2.446 17.445 3.647 1.00 0.00 N ATOM 217 CA VAL A 14 3.605 17.117 2.776 1.00 0.00 C ATOM 218 C VAL A 14 3.846 18.187 1.701 1.00 0.00 C ATOM 219 O VAL A 14 4.956 18.719 1.574 1.00 0.00 O ATOM 220 CB VAL A 14 3.406 15.712 2.082 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.487 15.435 0.998 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.384 14.582 3.139 1.00 0.00 C ATOM 0 H VAL A 14 1.756 16.695 3.691 1.00 0.00 H new ATOM 0 HA VAL A 14 4.481 17.084 3.424 1.00 0.00 H new ATOM 0 HB VAL A 14 2.442 15.735 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.310 14.458 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.435 16.204 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.475 15.449 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.246 13.622 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.327 14.576 3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.563 14.751 3.836 1.00 0.00 H new ATOM 232 N PHE A 15 2.789 18.491 0.944 1.00 0.00 N ATOM 233 CA PHE A 15 2.860 19.424 -0.188 1.00 0.00 C ATOM 234 C PHE A 15 2.742 20.882 0.291 1.00 0.00 C ATOM 235 O PHE A 15 3.018 21.798 -0.485 1.00 0.00 O ATOM 236 CB PHE A 15 1.770 19.073 -1.243 1.00 0.00 C ATOM 237 CG PHE A 15 1.829 17.605 -1.685 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.932 17.110 -2.366 1.00 0.00 C ATOM 239 CD2 PHE A 15 0.808 16.714 -1.375 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.003 15.779 -2.714 1.00 0.00 C ATOM 241 CE2 PHE A 15 0.886 15.387 -1.714 1.00 0.00 C ATOM 242 CZ PHE A 15 1.982 14.919 -2.387 1.00 0.00 C ATOM 0 H PHE A 15 1.860 18.099 1.097 1.00 0.00 H new ATOM 0 HA PHE A 15 3.834 19.322 -0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.785 19.284 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.892 19.716 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.743 17.775 -2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.067 17.075 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.866 15.409 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.084 14.713 -1.450 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.044 13.876 -2.661 1.00 0.00 H new ATOM 252 N ASP A 16 2.348 21.068 1.582 1.00 0.00 N ATOM 253 CA ASP A 16 2.185 22.386 2.230 1.00 0.00 C ATOM 254 C ASP A 16 1.072 23.176 1.515 1.00 0.00 C ATOM 255 O ASP A 16 1.317 24.140 0.775 1.00 0.00 O ATOM 256 CB ASP A 16 3.542 23.153 2.315 1.00 0.00 C ATOM 257 CG ASP A 16 3.457 24.458 3.123 1.00 0.00 C ATOM 258 OD1 ASP A 16 3.199 24.384 4.344 1.00 0.00 O ATOM 259 OD2 ASP A 16 3.623 25.559 2.549 1.00 0.00 O ATOM 0 H ASP A 16 2.133 20.289 2.205 1.00 0.00 H new ATOM 0 HA ASP A 16 1.871 22.249 3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.291 22.503 2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.886 23.381 1.306 1.00 0.00 H new ATOM 264 N ASP A 17 -0.166 22.708 1.729 1.00 0.00 N ATOM 265 CA ASP A 17 -1.338 23.117 0.938 1.00 0.00 C ATOM 266 C ASP A 17 -2.626 22.867 1.757 1.00 0.00 C ATOM 267 O ASP A 17 -2.580 22.281 2.845 1.00 0.00 O ATOM 268 CB ASP A 17 -1.340 22.329 -0.417 1.00 0.00 C ATOM 269 CG ASP A 17 -2.223 22.965 -1.509 1.00 0.00 C ATOM 270 OD1 ASP A 17 -1.739 23.858 -2.229 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.406 22.597 -1.636 1.00 0.00 O ATOM 0 H ASP A 17 -0.385 22.031 2.460 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.295 24.182 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.317 22.259 -0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.683 21.311 -0.233 1.00 0.00 H new ATOM 276 N ASP A 18 -3.768 23.325 1.224 1.00 0.00 N ATOM 277 CA ASP A 18 -5.096 23.206 1.877 1.00 0.00 C ATOM 278 C ASP A 18 -6.191 22.897 0.832 1.00 0.00 C ATOM 279 O ASP A 18 -7.219 22.289 1.152 1.00 0.00 O ATOM 280 CB ASP A 18 -5.410 24.519 2.635 1.00 0.00 C ATOM 281 CG ASP A 18 -6.773 24.506 3.352 1.00 0.00 C ATOM 282 OD1 ASP A 18 -6.939 23.717 4.303 1.00 0.00 O ATOM 283 OD2 ASP A 18 -7.689 25.277 2.962 1.00 0.00 O ATOM 0 H ASP A 18 -3.805 23.794 0.319 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.077 22.380 2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.625 24.702 3.368 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.388 25.350 1.930 1.00 0.00 H new ATOM 288 N SER A 19 -5.934 23.302 -0.426 1.00 0.00 N ATOM 289 CA SER A 19 -6.863 23.106 -1.560 1.00 0.00 C ATOM 290 C SER A 19 -6.957 21.615 -1.965 1.00 0.00 C ATOM 291 O SER A 19 -7.933 21.208 -2.598 1.00 0.00 O ATOM 292 CB SER A 19 -6.395 23.957 -2.764 1.00 0.00 C ATOM 293 OG SER A 19 -6.203 25.311 -2.386 1.00 0.00 O ATOM 0 H SER A 19 -5.071 23.778 -0.688 1.00 0.00 H new ATOM 0 HA SER A 19 -7.857 23.427 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.464 23.551 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.134 23.900 -3.563 1.00 0.00 H new ATOM 0 HG SER A 19 -5.906 25.829 -3.163 1.00 0.00 H new ATOM 299 N ILE A 20 -5.931 20.819 -1.583 1.00 0.00 N ATOM 300 CA ILE A 20 -5.856 19.371 -1.880 1.00 0.00 C ATOM 301 C ILE A 20 -7.057 18.610 -1.285 1.00 0.00 C ATOM 302 O ILE A 20 -7.227 18.547 -0.073 1.00 0.00 O ATOM 303 CB ILE A 20 -4.493 18.743 -1.357 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.287 19.324 -2.161 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.490 17.192 -1.414 1.00 0.00 C ATOM 306 CD1 ILE A 20 -1.922 18.838 -1.722 1.00 0.00 C ATOM 0 H ILE A 20 -5.129 21.166 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.889 19.265 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.394 19.020 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.421 19.077 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.310 20.411 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.536 16.816 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.297 16.804 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.635 16.865 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.154 19.300 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.757 19.109 -0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.870 17.754 -1.828 1.00 0.00 H new ATOM 318 N VAL A 21 -7.895 18.066 -2.178 1.00 0.00 N ATOM 319 CA VAL A 21 -9.021 17.187 -1.831 1.00 0.00 C ATOM 320 C VAL A 21 -8.789 15.848 -2.546 1.00 0.00 C ATOM 321 O VAL A 21 -8.845 15.791 -3.777 1.00 0.00 O ATOM 322 CB VAL A 21 -10.403 17.807 -2.272 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.591 16.902 -1.859 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.570 19.239 -1.709 1.00 0.00 C ATOM 0 H VAL A 21 -7.808 18.228 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.066 17.056 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.405 17.869 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.526 17.361 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.486 15.925 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.598 16.782 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.530 19.645 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.531 19.209 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.766 19.873 -2.083 1.00 0.00 H new ATOM 334 N LEU A 22 -8.489 14.792 -1.776 1.00 0.00 N ATOM 335 CA LEU A 22 -8.047 13.505 -2.330 1.00 0.00 C ATOM 336 C LEU A 22 -9.221 12.683 -2.878 1.00 0.00 C ATOM 337 O LEU A 22 -10.305 12.648 -2.287 1.00 0.00 O ATOM 338 CB LEU A 22 -7.283 12.697 -1.253 1.00 0.00 C ATOM 339 CG LEU A 22 -5.973 13.364 -0.731 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.294 12.481 0.326 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.002 13.696 -1.890 1.00 0.00 C ATOM 0 H LEU A 22 -8.546 14.806 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.379 13.717 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.949 12.529 -0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.035 11.718 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.248 14.307 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.383 12.967 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.972 12.334 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.045 11.515 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.101 14.159 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.735 12.779 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.485 14.384 -2.584 1.00 0.00 H new ATOM 353 N THR A 23 -8.969 12.031 -4.018 1.00 0.00 N ATOM 354 CA THR A 23 -9.858 11.031 -4.617 1.00 0.00 C ATOM 355 C THR A 23 -9.001 9.791 -4.913 1.00 0.00 C ATOM 356 O THR A 23 -7.759 9.858 -4.868 1.00 0.00 O ATOM 357 CB THR A 23 -10.567 11.528 -5.935 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.606 11.718 -6.992 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.351 12.834 -5.711 1.00 0.00 C ATOM 0 H THR A 23 -8.121 12.188 -4.562 1.00 0.00 H new ATOM 0 HA THR A 23 -10.665 10.816 -3.917 1.00 0.00 H new ATOM 0 HB THR A 23 -11.276 10.752 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.808 12.158 -6.633 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.823 13.140 -6.645 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.117 12.673 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.668 13.615 -5.377 1.00 0.00 H new ATOM 367 N ARG A 24 -9.655 8.671 -5.228 1.00 0.00 N ATOM 368 CA ARG A 24 -8.974 7.394 -5.495 1.00 0.00 C ATOM 369 C ARG A 24 -8.118 7.448 -6.783 1.00 0.00 C ATOM 370 O ARG A 24 -7.228 6.618 -6.959 1.00 0.00 O ATOM 371 CB ARG A 24 -10.022 6.251 -5.566 1.00 0.00 C ATOM 372 CG ARG A 24 -10.860 6.097 -4.272 1.00 0.00 C ATOM 373 CD ARG A 24 -11.967 5.034 -4.370 1.00 0.00 C ATOM 374 NE ARG A 24 -11.419 3.678 -4.592 1.00 0.00 N ATOM 375 CZ ARG A 24 -11.610 2.614 -3.788 1.00 0.00 C ATOM 376 NH1 ARG A 24 -12.270 2.730 -2.640 1.00 0.00 N ATOM 377 NH2 ARG A 24 -11.115 1.432 -4.149 1.00 0.00 N ATOM 0 H ARG A 24 -10.671 8.620 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.285 7.198 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.694 6.437 -6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.509 5.311 -5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.194 5.840 -3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.313 7.058 -4.028 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.557 5.040 -3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.643 5.289 -5.186 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.848 3.536 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.642 3.636 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.405 1.913 -2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.599 1.341 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.252 0.618 -3.550 1.00 0.00 H new ATOM 391 N GLU A 25 -8.388 8.438 -7.670 1.00 0.00 N ATOM 392 CA GLU A 25 -7.656 8.600 -8.954 1.00 0.00 C ATOM 393 C GLU A 25 -6.822 9.904 -9.007 1.00 0.00 C ATOM 394 O GLU A 25 -6.281 10.245 -10.066 1.00 0.00 O ATOM 395 CB GLU A 25 -8.640 8.516 -10.150 1.00 0.00 C ATOM 396 CG GLU A 25 -9.436 7.195 -10.217 1.00 0.00 C ATOM 397 CD GLU A 25 -10.328 7.087 -11.459 1.00 0.00 C ATOM 398 OE1 GLU A 25 -9.788 6.807 -12.554 1.00 0.00 O ATOM 399 OE2 GLU A 25 -11.565 7.272 -11.352 1.00 0.00 O ATOM 0 H GLU A 25 -9.112 9.141 -7.519 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.944 7.778 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.341 9.348 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.080 8.638 -11.077 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.738 6.358 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.055 7.106 -9.324 1.00 0.00 H new ATOM 406 N THR A 26 -6.707 10.624 -7.869 1.00 0.00 N ATOM 407 CA THR A 26 -5.763 11.762 -7.740 1.00 0.00 C ATOM 408 C THR A 26 -4.307 11.258 -7.885 1.00 0.00 C ATOM 409 O THR A 26 -3.959 10.257 -7.274 1.00 0.00 O ATOM 410 CB THR A 26 -5.947 12.477 -6.358 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.292 12.929 -6.217 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.007 13.674 -6.165 1.00 0.00 C ATOM 0 H THR A 26 -7.253 10.440 -7.028 1.00 0.00 H new ATOM 0 HA THR A 26 -5.975 12.480 -8.532 1.00 0.00 H new ATOM 0 HB THR A 26 -5.701 11.736 -5.598 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.310 13.731 -5.654 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.186 14.124 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.972 13.337 -6.225 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.194 14.413 -6.944 1.00 0.00 H new ATOM 420 N SER A 27 -3.472 11.946 -8.678 1.00 0.00 N ATOM 421 CA SER A 27 -2.125 11.446 -9.033 1.00 0.00 C ATOM 422 C SER A 27 -1.165 12.593 -9.398 1.00 0.00 C ATOM 423 O SER A 27 -1.572 13.756 -9.480 1.00 0.00 O ATOM 424 CB SER A 27 -2.265 10.455 -10.215 1.00 0.00 C ATOM 425 OG SER A 27 -2.969 11.043 -11.301 1.00 0.00 O ATOM 0 H SER A 27 -3.701 12.851 -9.088 1.00 0.00 H new ATOM 0 HA SER A 27 -1.696 10.942 -8.167 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.276 10.140 -10.548 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.789 9.559 -9.881 1.00 0.00 H new ATOM 0 HG SER A 27 -3.041 10.396 -12.033 1.00 0.00 H new ATOM 431 N ALA A 28 0.119 12.245 -9.633 1.00 0.00 N ATOM 432 CA ALA A 28 1.125 13.161 -10.149 1.00 0.00 C ATOM 433 C ALA A 28 1.160 12.903 -11.649 1.00 0.00 C ATOM 434 O ALA A 28 1.895 12.030 -12.129 1.00 0.00 O ATOM 435 CB ALA A 28 2.478 12.891 -9.501 1.00 0.00 C ATOM 0 H ALA A 28 0.477 11.305 -9.463 1.00 0.00 H new ATOM 0 HA ALA A 28 0.891 14.203 -9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.217 13.586 -9.899 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.398 13.025 -8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.787 11.868 -9.717 1.00 0.00 H new ATOM 441 N ASN A 29 0.350 13.680 -12.360 1.00 0.00 N ATOM 442 CA ASN A 29 -0.281 13.314 -13.640 1.00 0.00 C ATOM 443 C ASN A 29 -1.518 14.208 -13.736 1.00 0.00 C ATOM 444 O ASN A 29 -1.652 15.034 -14.640 1.00 0.00 O ATOM 445 CB ASN A 29 -0.690 11.806 -13.718 1.00 0.00 C ATOM 446 CG ASN A 29 -1.365 11.411 -15.037 1.00 0.00 C ATOM 447 OD1 ASN A 29 -2.593 11.456 -15.163 1.00 0.00 O ATOM 448 ND2 ASN A 29 -0.574 11.026 -16.030 1.00 0.00 N ATOM 0 H ASN A 29 0.100 14.621 -12.055 1.00 0.00 H new ATOM 0 HA ASN A 29 0.418 13.457 -14.464 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.199 11.191 -13.578 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.366 11.580 -12.894 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.977 10.757 -16.928 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.437 10.999 -15.896 1.00 0.00 H new ATOM 455 N ASP A 30 -2.405 14.028 -12.741 1.00 0.00 N ATOM 456 CA ASP A 30 -3.555 14.909 -12.491 1.00 0.00 C ATOM 457 C ASP A 30 -3.110 16.212 -11.778 1.00 0.00 C ATOM 458 O ASP A 30 -3.815 17.223 -11.835 1.00 0.00 O ATOM 459 CB ASP A 30 -4.604 14.133 -11.645 1.00 0.00 C ATOM 460 CG ASP A 30 -5.868 14.955 -11.316 1.00 0.00 C ATOM 461 OD1 ASP A 30 -6.623 15.292 -12.260 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.097 15.288 -10.129 1.00 0.00 O ATOM 0 H ASP A 30 -2.340 13.254 -12.079 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.004 15.203 -13.440 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.898 13.232 -12.184 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.139 13.810 -10.714 1.00 0.00 H new ATOM 467 N ILE A 31 -1.910 16.194 -11.142 1.00 0.00 N ATOM 468 CA ILE A 31 -1.386 17.319 -10.323 1.00 0.00 C ATOM 469 C ILE A 31 0.062 17.641 -10.749 1.00 0.00 C ATOM 470 O ILE A 31 0.861 16.725 -10.974 1.00 0.00 O ATOM 471 CB ILE A 31 -1.435 16.997 -8.774 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.912 16.781 -8.304 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.733 18.104 -7.926 1.00 0.00 C ATOM 474 CD1 ILE A 31 -3.076 16.551 -6.811 1.00 0.00 C ATOM 0 H ILE A 31 -1.276 15.396 -11.183 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.025 18.184 -10.498 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.882 16.072 -8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.501 17.652 -8.590 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.327 15.926 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.790 17.843 -6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.312 18.183 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.231 19.059 -8.091 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.132 16.411 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.519 15.662 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.695 17.415 -6.266 1.00 0.00 H new ATOM 486 N ASP A 32 0.376 18.954 -10.857 1.00 0.00 N ATOM 487 CA ASP A 32 1.719 19.455 -11.242 1.00 0.00 C ATOM 488 C ASP A 32 2.635 19.566 -10.007 1.00 0.00 C ATOM 489 O ASP A 32 3.804 19.187 -10.063 1.00 0.00 O ATOM 490 CB ASP A 32 1.625 20.848 -11.929 1.00 0.00 C ATOM 491 CG ASP A 32 0.740 20.859 -13.182 1.00 0.00 C ATOM 492 OD1 ASP A 32 1.207 20.445 -14.267 1.00 0.00 O ATOM 493 OD2 ASP A 32 -0.430 21.285 -13.091 1.00 0.00 O ATOM 0 H ASP A 32 -0.297 19.699 -10.679 1.00 0.00 H new ATOM 0 HA ASP A 32 2.141 18.738 -11.946 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.234 21.571 -11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.628 21.178 -12.200 1.00 0.00 H new ATOM 498 N ALA A 33 2.064 20.064 -8.881 1.00 0.00 N ATOM 499 CA ALA A 33 2.816 20.369 -7.622 1.00 0.00 C ATOM 500 C ALA A 33 3.485 19.120 -7.001 1.00 0.00 C ATOM 501 O ALA A 33 4.409 19.235 -6.188 1.00 0.00 O ATOM 502 CB ALA A 33 1.865 21.018 -6.593 1.00 0.00 C ATOM 0 H ALA A 33 1.067 20.268 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 33 3.617 21.059 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.415 21.239 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.460 21.942 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.048 20.332 -6.369 1.00 0.00 H new ATOM 508 N TRP A 34 3.008 17.944 -7.406 1.00 0.00 N ATOM 509 CA TRP A 34 3.447 16.655 -6.874 1.00 0.00 C ATOM 510 C TRP A 34 4.614 16.105 -7.738 1.00 0.00 C ATOM 511 O TRP A 34 4.425 15.218 -8.571 1.00 0.00 O ATOM 512 CB TRP A 34 2.206 15.710 -6.846 1.00 0.00 C ATOM 513 CG TRP A 34 2.339 14.428 -6.056 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.465 13.881 -5.507 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.271 13.538 -5.730 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.159 12.698 -4.887 1.00 0.00 N ATOM 517 CE2 TRP A 34 1.820 12.468 -5.005 1.00 0.00 C ATOM 518 CE3 TRP A 34 -0.097 13.542 -5.993 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.053 11.417 -4.531 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.862 12.500 -5.522 1.00 0.00 C ATOM 521 CH2 TRP A 34 -0.283 11.446 -4.800 1.00 0.00 C ATOM 0 H TRP A 34 2.292 17.859 -8.127 1.00 0.00 H new ATOM 0 HA TRP A 34 3.834 16.743 -5.859 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.362 16.270 -6.443 1.00 0.00 H new ATOM 0 HB3 TRP A 34 1.955 15.450 -7.874 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.452 14.317 -5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.825 12.088 -4.414 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.548 14.347 -6.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.496 10.607 -3.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.925 12.493 -5.711 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.910 10.639 -4.449 1.00 0.00 H new ATOM 532 N ASP A 35 5.819 16.693 -7.559 1.00 0.00 N ATOM 533 CA ASP A 35 7.071 16.191 -8.194 1.00 0.00 C ATOM 534 C ASP A 35 7.606 14.952 -7.436 1.00 0.00 C ATOM 535 O ASP A 35 7.095 14.626 -6.363 1.00 0.00 O ATOM 536 CB ASP A 35 8.153 17.303 -8.254 1.00 0.00 C ATOM 537 CG ASP A 35 8.606 17.800 -6.874 1.00 0.00 C ATOM 538 OD1 ASP A 35 9.525 17.199 -6.281 1.00 0.00 O ATOM 539 OD2 ASP A 35 8.035 18.780 -6.372 1.00 0.00 O ATOM 0 H ASP A 35 5.956 17.520 -6.978 1.00 0.00 H new ATOM 0 HA ASP A 35 6.835 15.897 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.020 16.925 -8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.763 18.146 -8.824 1.00 0.00 H new ATOM 544 N SER A 36 8.662 14.295 -7.973 1.00 0.00 N ATOM 545 CA SER A 36 9.167 13.004 -7.448 1.00 0.00 C ATOM 546 C SER A 36 9.716 13.144 -6.011 1.00 0.00 C ATOM 547 O SER A 36 9.558 12.239 -5.188 1.00 0.00 O ATOM 548 CB SER A 36 10.236 12.348 -8.396 1.00 0.00 C ATOM 549 OG SER A 36 10.466 13.050 -9.625 1.00 0.00 O ATOM 0 H SER A 36 9.185 14.642 -8.777 1.00 0.00 H new ATOM 0 HA SER A 36 8.309 12.332 -7.415 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.180 12.271 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.918 11.332 -8.629 1.00 0.00 H new ATOM 0 HG SER A 36 11.144 12.576 -10.151 1.00 0.00 H new ATOM 554 N LEU A 37 10.355 14.287 -5.721 1.00 0.00 N ATOM 555 CA LEU A 37 10.896 14.586 -4.375 1.00 0.00 C ATOM 556 C LEU A 37 9.757 14.824 -3.361 1.00 0.00 C ATOM 557 O LEU A 37 9.924 14.577 -2.160 1.00 0.00 O ATOM 558 CB LEU A 37 11.881 15.794 -4.415 1.00 0.00 C ATOM 559 CG LEU A 37 13.265 15.538 -5.100 1.00 0.00 C ATOM 560 CD1 LEU A 37 13.985 14.345 -4.442 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.143 15.359 -6.632 1.00 0.00 C ATOM 0 H LEU A 37 10.514 15.029 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 37 11.461 13.715 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.390 16.618 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.061 16.122 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 37 13.873 16.429 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.945 14.184 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.149 14.557 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.371 13.450 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.131 15.184 -7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.499 14.507 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.713 16.260 -7.070 1.00 0.00 H new ATOM 573 N SER A 38 8.603 15.291 -3.859 1.00 0.00 N ATOM 574 CA SER A 38 7.372 15.403 -3.062 1.00 0.00 C ATOM 575 C SER A 38 6.770 14.007 -2.761 1.00 0.00 C ATOM 576 O SER A 38 6.154 13.832 -1.716 1.00 0.00 O ATOM 577 CB SER A 38 6.359 16.305 -3.791 1.00 0.00 C ATOM 578 OG SER A 38 6.871 17.612 -3.969 1.00 0.00 O ATOM 0 H SER A 38 8.496 15.602 -4.825 1.00 0.00 H new ATOM 0 HA SER A 38 7.616 15.860 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.115 15.872 -4.761 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.432 16.350 -3.220 1.00 0.00 H new ATOM 0 HG SER A 38 7.049 17.767 -4.920 1.00 0.00 H new ATOM 584 N HIS A 39 6.950 13.027 -3.689 1.00 0.00 N ATOM 585 CA HIS A 39 6.603 11.595 -3.427 1.00 0.00 C ATOM 586 C HIS A 39 7.485 11.022 -2.318 1.00 0.00 C ATOM 587 O HIS A 39 7.010 10.257 -1.480 1.00 0.00 O ATOM 588 CB HIS A 39 6.765 10.689 -4.672 1.00 0.00 C ATOM 589 CG HIS A 39 5.813 10.976 -5.781 1.00 0.00 C ATOM 590 ND1 HIS A 39 5.907 11.879 -6.765 1.00 0.00 N flip ATOM 591 CD2 HIS A 39 4.656 10.261 -5.945 1.00 0.00 C flip ATOM 592 CE1 HIS A 39 4.823 11.725 -7.561 1.00 0.00 C flip ATOM 593 NE2 HIS A 39 4.099 10.740 -7.034 1.00 0.00 N flip ATOM 0 H HIS A 39 7.330 13.197 -4.620 1.00 0.00 H new ATOM 0 HA HIS A 39 5.553 11.599 -3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.782 10.792 -5.049 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.642 9.650 -4.366 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.281 9.470 -5.312 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.591 12.291 -8.451 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.221 10.400 -7.427 1.00 0.00 H new ATOM 601 N MET A 40 8.782 11.368 -2.352 1.00 0.00 N ATOM 602 CA MET A 40 9.751 10.926 -1.337 1.00 0.00 C ATOM 603 C MET A 40 9.315 11.390 0.058 1.00 0.00 C ATOM 604 O MET A 40 9.252 10.586 0.983 1.00 0.00 O ATOM 605 CB MET A 40 11.180 11.434 -1.669 1.00 0.00 C ATOM 606 CG MET A 40 11.759 10.878 -2.976 1.00 0.00 C ATOM 607 SD MET A 40 11.691 9.074 -3.060 1.00 0.00 S ATOM 608 CE MET A 40 12.648 8.572 -1.618 1.00 0.00 C ATOM 0 H MET A 40 9.186 11.958 -3.079 1.00 0.00 H new ATOM 0 HA MET A 40 9.777 9.836 -1.344 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.162 12.522 -1.727 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.847 11.170 -0.848 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.210 11.297 -3.819 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.794 11.203 -3.077 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.784 7.491 -1.630 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.622 9.060 -1.640 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.118 8.861 -0.711 1.00 0.00 H new ATOM 618 N ASN A 41 8.949 12.682 0.161 1.00 0.00 N ATOM 619 CA ASN A 41 8.420 13.272 1.405 1.00 0.00 C ATOM 620 C ASN A 41 7.068 12.636 1.786 1.00 0.00 C ATOM 621 O ASN A 41 6.807 12.394 2.960 1.00 0.00 O ATOM 622 CB ASN A 41 8.277 14.812 1.281 1.00 0.00 C ATOM 623 CG ASN A 41 9.616 15.529 1.127 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.646 15.060 1.604 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.606 16.671 0.478 1.00 0.00 N ATOM 0 H ASN A 41 9.011 13.344 -0.613 1.00 0.00 H new ATOM 0 HA ASN A 41 9.136 13.061 2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.647 15.044 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.766 15.195 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.472 17.197 0.358 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.733 17.032 0.094 1.00 0.00 H new ATOM 632 N LEU A 42 6.240 12.346 0.769 1.00 0.00 N ATOM 633 CA LEU A 42 4.886 11.778 0.946 1.00 0.00 C ATOM 634 C LEU A 42 4.942 10.396 1.623 1.00 0.00 C ATOM 635 O LEU A 42 4.309 10.180 2.669 1.00 0.00 O ATOM 636 CB LEU A 42 4.166 11.734 -0.447 1.00 0.00 C ATOM 637 CG LEU A 42 2.623 11.470 -0.488 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.263 9.974 -0.350 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.900 12.326 0.565 1.00 0.00 C ATOM 0 H LEU A 42 6.490 12.499 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 42 4.306 12.415 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.352 12.685 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.650 10.961 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 42 2.275 11.770 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.180 9.856 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.716 9.414 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.638 9.596 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.829 12.129 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.275 12.075 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.083 13.382 0.364 1.00 0.00 H new ATOM 651 N ILE A 43 5.723 9.489 1.030 1.00 0.00 N ATOM 652 CA ILE A 43 5.842 8.098 1.485 1.00 0.00 C ATOM 653 C ILE A 43 6.491 8.039 2.880 1.00 0.00 C ATOM 654 O ILE A 43 5.976 7.340 3.747 1.00 0.00 O ATOM 655 CB ILE A 43 6.609 7.191 0.417 1.00 0.00 C ATOM 656 CG1 ILE A 43 5.628 6.654 -0.694 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.385 6.013 1.063 1.00 0.00 C ATOM 658 CD1 ILE A 43 4.971 7.711 -1.570 1.00 0.00 C ATOM 0 H ILE A 43 6.296 9.700 0.213 1.00 0.00 H new ATOM 0 HA ILE A 43 4.839 7.681 1.574 1.00 0.00 H new ATOM 0 HB ILE A 43 7.347 7.843 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.180 5.969 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.843 6.074 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.884 5.436 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.128 6.404 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.689 5.370 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.319 7.227 -2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.383 8.385 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.740 8.279 -2.094 1.00 0.00 H new ATOM 670 N VAL A 44 7.582 8.805 3.113 1.00 0.00 N ATOM 671 CA VAL A 44 8.285 8.774 4.411 1.00 0.00 C ATOM 672 C VAL A 44 7.419 9.357 5.547 1.00 0.00 C ATOM 673 O VAL A 44 7.561 8.948 6.702 1.00 0.00 O ATOM 674 CB VAL A 44 9.675 9.486 4.365 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.588 8.846 3.299 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.558 11.012 4.158 1.00 0.00 C ATOM 0 H VAL A 44 7.988 9.443 2.428 1.00 0.00 H new ATOM 0 HA VAL A 44 8.467 7.721 4.623 1.00 0.00 H new ATOM 0 HB VAL A 44 10.134 9.342 5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.549 9.360 3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.742 7.793 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.119 8.932 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.554 11.453 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.049 11.213 3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.988 11.448 4.978 1.00 0.00 H new ATOM 686 N SER A 45 6.524 10.310 5.202 1.00 0.00 N ATOM 687 CA SER A 45 5.508 10.835 6.139 1.00 0.00 C ATOM 688 C SER A 45 4.547 9.717 6.568 1.00 0.00 C ATOM 689 O SER A 45 4.219 9.595 7.739 1.00 0.00 O ATOM 690 CB SER A 45 4.707 12.000 5.518 1.00 0.00 C ATOM 691 OG SER A 45 5.540 13.111 5.240 1.00 0.00 O ATOM 0 H SER A 45 6.486 10.733 4.275 1.00 0.00 H new ATOM 0 HA SER A 45 6.037 11.215 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.227 11.664 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.912 12.301 6.200 1.00 0.00 H new ATOM 0 HG SER A 45 6.106 12.910 4.466 1.00 0.00 H new ATOM 697 N LEU A 46 4.128 8.888 5.604 1.00 0.00 N ATOM 698 CA LEU A 46 3.260 7.728 5.872 1.00 0.00 C ATOM 699 C LEU A 46 3.983 6.707 6.766 1.00 0.00 C ATOM 700 O LEU A 46 3.408 6.192 7.730 1.00 0.00 O ATOM 701 CB LEU A 46 2.827 7.073 4.540 1.00 0.00 C ATOM 702 CG LEU A 46 1.991 7.980 3.593 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.769 7.316 2.226 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.659 8.361 4.253 1.00 0.00 C ATOM 0 H LEU A 46 4.378 8.999 4.621 1.00 0.00 H new ATOM 0 HA LEU A 46 2.370 8.071 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.720 6.746 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.246 6.179 4.766 1.00 0.00 H new ATOM 0 HG LEU A 46 2.557 8.894 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.181 7.979 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.733 7.122 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.235 6.375 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.086 8.996 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.090 7.458 4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.853 8.901 5.180 1.00 0.00 H new ATOM 716 N GLU A 47 5.263 6.462 6.439 1.00 0.00 N ATOM 717 CA GLU A 47 6.106 5.480 7.128 1.00 0.00 C ATOM 718 C GLU A 47 6.305 5.851 8.608 1.00 0.00 C ATOM 719 O GLU A 47 6.198 4.993 9.472 1.00 0.00 O ATOM 720 CB GLU A 47 7.468 5.307 6.391 1.00 0.00 C ATOM 721 CG GLU A 47 7.344 4.724 4.962 1.00 0.00 C ATOM 722 CD GLU A 47 8.694 4.482 4.250 1.00 0.00 C ATOM 723 OE1 GLU A 47 9.506 5.430 4.146 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.945 3.347 3.770 1.00 0.00 O ATOM 0 H GLU A 47 5.743 6.947 5.681 1.00 0.00 H new ATOM 0 HA GLU A 47 5.591 4.519 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.964 6.276 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.109 4.655 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.801 3.781 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.745 5.404 4.356 1.00 0.00 H new ATOM 731 N VAL A 48 6.575 7.136 8.896 1.00 0.00 N ATOM 732 CA VAL A 48 6.807 7.597 10.279 1.00 0.00 C ATOM 733 C VAL A 48 5.488 7.790 11.076 1.00 0.00 C ATOM 734 O VAL A 48 5.424 7.412 12.254 1.00 0.00 O ATOM 735 CB VAL A 48 7.689 8.902 10.315 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.066 8.640 9.663 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.989 10.127 9.668 1.00 0.00 C ATOM 0 H VAL A 48 6.638 7.873 8.193 1.00 0.00 H new ATOM 0 HA VAL A 48 7.362 6.802 10.777 1.00 0.00 H new ATOM 0 HB VAL A 48 7.835 9.156 11.365 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.663 9.551 9.696 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.581 7.848 10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.925 8.335 8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.647 10.994 9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.765 9.909 8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.062 10.340 10.201 1.00 0.00 H new ATOM 747 N HIS A 49 4.452 8.385 10.438 1.00 0.00 N ATOM 748 CA HIS A 49 3.132 8.646 11.085 1.00 0.00 C ATOM 749 C HIS A 49 2.424 7.341 11.494 1.00 0.00 C ATOM 750 O HIS A 49 2.044 7.173 12.658 1.00 0.00 O ATOM 751 CB HIS A 49 2.195 9.500 10.174 1.00 0.00 C ATOM 752 CG HIS A 49 2.491 10.987 10.160 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.611 11.672 9.832 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 1.552 11.947 10.483 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 3.331 13.003 9.954 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 2.082 13.146 10.347 1.00 0.00 N flip ATOM 0 H HIS A 49 4.501 8.697 9.468 1.00 0.00 H new ATOM 0 HA HIS A 49 3.343 9.218 11.989 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.263 9.122 9.154 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.165 9.353 10.500 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.539 11.746 10.799 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.023 13.809 9.759 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.607 14.032 10.517 1.00 0.00 H new ATOM 765 N TYR A 50 2.256 6.432 10.524 1.00 0.00 N ATOM 766 CA TYR A 50 1.531 5.157 10.727 1.00 0.00 C ATOM 767 C TYR A 50 2.466 4.032 11.224 1.00 0.00 C ATOM 768 O TYR A 50 1.992 2.931 11.523 1.00 0.00 O ATOM 769 CB TYR A 50 0.828 4.723 9.411 1.00 0.00 C ATOM 770 CG TYR A 50 -0.200 5.723 8.860 1.00 0.00 C ATOM 771 CD1 TYR A 50 0.189 6.786 8.047 1.00 0.00 C ATOM 772 CD2 TYR A 50 -1.564 5.597 9.150 1.00 0.00 C ATOM 773 CE1 TYR A 50 -0.731 7.682 7.547 1.00 0.00 C ATOM 774 CE2 TYR A 50 -2.486 6.493 8.648 1.00 0.00 C ATOM 775 CZ TYR A 50 -2.062 7.533 7.845 1.00 0.00 C ATOM 776 OH TYR A 50 -2.974 8.427 7.345 1.00 0.00 O ATOM 0 H TYR A 50 2.615 6.553 9.577 1.00 0.00 H new ATOM 0 HA TYR A 50 0.781 5.328 11.500 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.589 4.552 8.650 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.329 3.769 9.582 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.234 6.910 7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.900 4.785 9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.405 8.500 6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.534 6.381 8.882 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.874 9.287 7.804 1.00 0.00 H new ATOM 786 N LYS A 51 3.791 4.318 11.322 1.00 0.00 N ATOM 787 CA LYS A 51 4.830 3.322 11.709 1.00 0.00 C ATOM 788 C LYS A 51 4.852 2.133 10.714 1.00 0.00 C ATOM 789 O LYS A 51 5.012 0.970 11.103 1.00 0.00 O ATOM 790 CB LYS A 51 4.676 2.844 13.198 1.00 0.00 C ATOM 791 CG LYS A 51 5.039 3.887 14.287 1.00 0.00 C ATOM 792 CD LYS A 51 4.080 5.091 14.333 1.00 0.00 C ATOM 793 CE LYS A 51 4.483 6.140 15.378 1.00 0.00 C ATOM 794 NZ LYS A 51 3.562 7.300 15.367 1.00 0.00 N ATOM 0 H LYS A 51 4.171 5.246 11.135 1.00 0.00 H new ATOM 0 HA LYS A 51 5.797 3.821 11.652 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.644 2.530 13.353 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.302 1.964 13.343 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.041 3.397 15.261 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.052 4.247 14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.047 5.560 13.350 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.072 4.737 14.551 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.485 5.686 16.369 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.500 6.480 15.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.111 8.180 15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.017 7.302 14.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.910 7.233 16.174 1.00 0.00 H new ATOM 808 N ILE A 52 4.721 2.464 9.417 1.00 0.00 N ATOM 809 CA ILE A 52 4.649 1.481 8.313 1.00 0.00 C ATOM 810 C ILE A 52 5.896 1.594 7.414 1.00 0.00 C ATOM 811 O ILE A 52 6.826 2.340 7.737 1.00 0.00 O ATOM 812 CB ILE A 52 3.327 1.672 7.475 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.296 3.046 6.738 1.00 0.00 C ATOM 814 CG2 ILE A 52 2.105 1.507 8.396 1.00 0.00 C ATOM 815 CD1 ILE A 52 2.022 3.329 5.954 1.00 0.00 C ATOM 0 H ILE A 52 4.661 3.431 9.099 1.00 0.00 H new ATOM 0 HA ILE A 52 4.627 0.480 8.743 1.00 0.00 H new ATOM 0 HB ILE A 52 3.298 0.904 6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.435 3.838 7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.143 3.093 6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.192 1.639 7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.114 0.510 8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.143 2.255 9.188 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.097 4.307 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.887 2.563 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.168 3.320 6.632 1.00 0.00 H new ATOM 827 N LYS A 53 5.913 0.843 6.291 1.00 0.00 N ATOM 828 CA LYS A 53 7.050 0.823 5.351 1.00 0.00 C ATOM 829 C LYS A 53 6.566 0.273 3.986 1.00 0.00 C ATOM 830 O LYS A 53 5.868 -0.745 3.940 1.00 0.00 O ATOM 831 CB LYS A 53 8.214 -0.034 5.967 1.00 0.00 C ATOM 832 CG LYS A 53 9.616 0.125 5.317 1.00 0.00 C ATOM 833 CD LYS A 53 9.783 -0.670 4.005 1.00 0.00 C ATOM 834 CE LYS A 53 11.159 -0.483 3.352 1.00 0.00 C ATOM 835 NZ LYS A 53 11.240 -1.209 2.058 1.00 0.00 N ATOM 0 H LYS A 53 5.141 0.237 6.013 1.00 0.00 H new ATOM 0 HA LYS A 53 7.438 1.828 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.299 0.217 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.930 -1.085 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.797 1.181 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.376 -0.200 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.626 -1.729 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.010 -0.362 3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.347 0.578 3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.937 -0.845 4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.186 -1.080 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.067 -2.222 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.524 -0.834 1.404 1.00 0.00 H new ATOM 849 N PHE A 54 6.934 0.967 2.887 1.00 0.00 N ATOM 850 CA PHE A 54 6.611 0.544 1.502 1.00 0.00 C ATOM 851 C PHE A 54 7.879 0.042 0.806 1.00 0.00 C ATOM 852 O PHE A 54 8.987 0.502 1.104 1.00 0.00 O ATOM 853 CB PHE A 54 6.017 1.717 0.672 1.00 0.00 C ATOM 854 CG PHE A 54 4.783 2.372 1.280 1.00 0.00 C ATOM 855 CD1 PHE A 54 4.919 3.401 2.216 1.00 0.00 C ATOM 856 CD2 PHE A 54 3.491 1.977 0.915 1.00 0.00 C ATOM 857 CE1 PHE A 54 3.812 4.008 2.760 1.00 0.00 C ATOM 858 CE2 PHE A 54 2.388 2.590 1.469 1.00 0.00 C ATOM 859 CZ PHE A 54 2.546 3.602 2.384 1.00 0.00 C ATOM 0 H PHE A 54 7.464 1.837 2.933 1.00 0.00 H new ATOM 0 HA PHE A 54 5.869 -0.252 1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.787 2.477 0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.762 1.348 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.905 3.723 2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.357 1.185 0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.932 4.803 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.396 2.273 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.678 4.082 2.811 1.00 0.00 H new ATOM 869 N ALA A 55 7.707 -0.887 -0.138 1.00 0.00 N ATOM 870 CA ALA A 55 8.785 -1.320 -1.038 1.00 0.00 C ATOM 871 C ALA A 55 8.772 -0.413 -2.276 1.00 0.00 C ATOM 872 O ALA A 55 7.704 0.045 -2.687 1.00 0.00 O ATOM 873 CB ALA A 55 8.604 -2.794 -1.433 1.00 0.00 C ATOM 0 H ALA A 55 6.819 -1.361 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 55 9.747 -1.238 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.413 -3.094 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.622 -3.415 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.649 -2.919 -1.942 1.00 0.00 H new ATOM 879 N LEU A 56 9.953 -0.148 -2.862 1.00 0.00 N ATOM 880 CA LEU A 56 10.077 0.630 -4.119 1.00 0.00 C ATOM 881 C LEU A 56 9.355 -0.120 -5.273 1.00 0.00 C ATOM 882 O LEU A 56 8.851 0.508 -6.203 1.00 0.00 O ATOM 883 CB LEU A 56 11.595 0.895 -4.431 1.00 0.00 C ATOM 884 CG LEU A 56 11.973 2.142 -5.317 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.559 1.986 -6.792 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.418 3.447 -4.704 1.00 0.00 C ATOM 0 H LEU A 56 10.847 -0.463 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 56 9.594 1.601 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.117 0.994 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.993 0.007 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 56 13.061 2.202 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.848 2.878 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.057 1.116 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.479 1.853 -6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.693 4.292 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.332 3.384 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.836 3.588 -3.707 1.00 0.00 H new ATOM 898 N GLY A 57 9.286 -1.464 -5.168 1.00 0.00 N ATOM 899 CA GLY A 57 8.468 -2.281 -6.073 1.00 0.00 C ATOM 900 C GLY A 57 6.986 -1.891 -6.014 1.00 0.00 C ATOM 901 O GLY A 57 6.310 -1.810 -7.048 1.00 0.00 O ATOM 0 H GLY A 57 9.790 -2.002 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.833 -2.168 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.577 -3.333 -5.811 1.00 0.00 H new ATOM 905 N GLU A 58 6.503 -1.613 -4.783 1.00 0.00 N ATOM 906 CA GLU A 58 5.127 -1.139 -4.539 1.00 0.00 C ATOM 907 C GLU A 58 4.948 0.302 -5.052 1.00 0.00 C ATOM 908 O GLU A 58 3.868 0.642 -5.516 1.00 0.00 O ATOM 909 CB GLU A 58 4.758 -1.230 -3.035 1.00 0.00 C ATOM 910 CG GLU A 58 4.893 -2.645 -2.435 1.00 0.00 C ATOM 911 CD GLU A 58 4.480 -2.735 -0.951 1.00 0.00 C ATOM 912 OE1 GLU A 58 4.797 -1.814 -0.171 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.859 -3.742 -0.550 1.00 0.00 O ATOM 0 H GLU A 58 7.057 -1.712 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 58 4.449 -1.790 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.396 -0.547 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.732 -0.888 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.281 -3.335 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.927 -2.975 -2.535 1.00 0.00 H new ATOM 920 N LEU A 59 6.022 1.129 -4.978 1.00 0.00 N ATOM 921 CA LEU A 59 6.045 2.521 -5.524 1.00 0.00 C ATOM 922 C LEU A 59 5.730 2.536 -7.036 1.00 0.00 C ATOM 923 O LEU A 59 5.028 3.434 -7.527 1.00 0.00 O ATOM 924 CB LEU A 59 7.430 3.208 -5.246 1.00 0.00 C ATOM 925 CG LEU A 59 7.580 4.025 -3.922 1.00 0.00 C ATOM 926 CD1 LEU A 59 6.747 5.311 -3.987 1.00 0.00 C ATOM 927 CD2 LEU A 59 7.223 3.190 -2.676 1.00 0.00 C ATOM 0 H LEU A 59 6.900 0.854 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 59 5.268 3.088 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.196 2.433 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.647 3.876 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 59 8.631 4.297 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.863 5.867 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.088 5.924 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.696 5.057 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.343 3.801 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.189 2.852 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.884 2.325 -2.616 1.00 0.00 H new ATOM 939 N GLN A 60 6.256 1.536 -7.759 1.00 0.00 N ATOM 940 CA GLN A 60 5.988 1.354 -9.206 1.00 0.00 C ATOM 941 C GLN A 60 4.511 0.975 -9.483 1.00 0.00 C ATOM 942 O GLN A 60 4.013 1.147 -10.600 1.00 0.00 O ATOM 943 CB GLN A 60 6.953 0.286 -9.792 1.00 0.00 C ATOM 944 CG GLN A 60 8.457 0.458 -9.429 1.00 0.00 C ATOM 945 CD GLN A 60 9.227 1.625 -10.093 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.600 2.770 -10.354 1.00 0.00 O flip ATOM 947 NE2 GLN A 60 10.429 1.499 -10.349 1.00 0.00 N flip ATOM 0 H GLN A 60 6.878 0.830 -7.365 1.00 0.00 H new ATOM 0 HA GLN A 60 6.167 2.308 -9.701 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.627 -0.697 -9.451 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.858 0.295 -10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.530 0.580 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.971 -0.470 -9.681 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.904 0.619 -10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.946 2.275 -10.763 1.00 0.00 H new ATOM 956 N LYS A 61 3.835 0.450 -8.450 1.00 0.00 N ATOM 957 CA LYS A 61 2.403 0.087 -8.496 1.00 0.00 C ATOM 958 C LYS A 61 1.511 1.213 -7.931 1.00 0.00 C ATOM 959 O LYS A 61 0.288 1.183 -8.111 1.00 0.00 O ATOM 960 CB LYS A 61 2.175 -1.234 -7.711 1.00 0.00 C ATOM 961 CG LYS A 61 2.915 -2.464 -8.294 1.00 0.00 C ATOM 962 CD LYS A 61 2.461 -2.812 -9.736 1.00 0.00 C ATOM 963 CE LYS A 61 0.958 -3.148 -9.829 1.00 0.00 C ATOM 964 NZ LYS A 61 0.547 -3.486 -11.214 1.00 0.00 N ATOM 0 H LYS A 61 4.269 0.262 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 61 2.121 -0.057 -9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.495 -1.089 -6.679 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.106 -1.447 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.988 -2.271 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.745 -3.325 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.681 -1.971 -10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.041 -3.661 -10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.733 -3.986 -9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.374 -2.298 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.470 -3.705 -11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.737 -2.677 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.085 -4.313 -11.544 1.00 0.00 H new ATOM 978 N LEU A 62 2.126 2.197 -7.241 1.00 0.00 N ATOM 979 CA LEU A 62 1.403 3.355 -6.674 1.00 0.00 C ATOM 980 C LEU A 62 1.176 4.386 -7.793 1.00 0.00 C ATOM 981 O LEU A 62 2.030 5.231 -8.028 1.00 0.00 O ATOM 982 CB LEU A 62 2.196 3.985 -5.478 1.00 0.00 C ATOM 983 CG LEU A 62 2.410 3.065 -4.233 1.00 0.00 C ATOM 984 CD1 LEU A 62 3.330 3.729 -3.188 1.00 0.00 C ATOM 985 CD2 LEU A 62 1.068 2.623 -3.618 1.00 0.00 C ATOM 0 H LEU A 62 3.130 2.212 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 62 0.441 3.027 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.173 4.301 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.671 4.884 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 62 2.916 2.163 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.456 3.060 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.302 3.933 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.883 4.664 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.256 1.985 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.505 3.502 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.493 2.069 -4.360 1.00 0.00 H new ATOM 997 N LYS A 63 0.054 4.249 -8.530 1.00 0.00 N ATOM 998 CA LYS A 63 -0.291 5.149 -9.657 1.00 0.00 C ATOM 999 C LYS A 63 -1.091 6.353 -9.130 1.00 0.00 C ATOM 1000 O LYS A 63 -1.019 7.448 -9.695 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.070 4.340 -10.753 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.197 4.998 -12.171 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.322 6.066 -12.294 1.00 0.00 C ATOM 1004 CE LYS A 63 -2.548 6.580 -13.735 1.00 0.00 C ATOM 1005 NZ LYS A 63 -1.354 7.260 -14.306 1.00 0.00 N ATOM 0 H LYS A 63 -0.636 3.517 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 63 0.613 5.541 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.581 3.373 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.075 4.145 -10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.245 5.462 -12.428 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.378 4.213 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.254 5.642 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.077 6.912 -11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.822 5.741 -14.375 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.390 7.272 -13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.567 7.582 -15.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.105 8.079 -13.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.555 6.595 -14.331 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.842 6.153 -8.026 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.730 7.193 -7.446 1.00 0.00 C ATOM 1021 C ASN A 64 -2.669 7.205 -5.910 1.00 0.00 C ATOM 1022 O ASN A 64 -2.038 6.351 -5.284 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.210 6.961 -7.871 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.400 6.814 -9.374 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.444 5.582 -9.864 1.00 0.00 O flip ATOM 1026 ND2 ASN A 64 -4.491 7.804 -10.084 1.00 0.00 N flip ATOM 0 H ASN A 64 -1.853 5.272 -7.511 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.374 8.150 -7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.584 6.064 -7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.815 7.796 -7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.453 8.735 -9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.605 7.700 -11.092 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.357 8.214 -5.332 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.665 8.310 -3.890 1.00 0.00 C ATOM 1035 C VAL A 65 -4.513 7.116 -3.435 1.00 0.00 C ATOM 1036 O VAL A 65 -4.414 6.701 -2.292 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.445 9.637 -3.547 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.765 9.749 -2.029 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.665 10.868 -4.030 1.00 0.00 C ATOM 0 H VAL A 65 -3.721 9.002 -5.868 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.710 8.312 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.397 9.598 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.303 10.678 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.382 8.904 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.835 9.744 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.222 11.772 -3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.691 10.897 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.527 10.811 -5.110 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.362 6.600 -4.343 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.163 5.403 -4.073 1.00 0.00 C ATOM 1051 C GLY A 66 -5.296 4.161 -3.895 1.00 0.00 C ATOM 1052 O GLY A 66 -5.628 3.274 -3.105 1.00 0.00 O ATOM 0 H GLY A 66 -5.507 6.998 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.758 5.561 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.862 5.242 -4.894 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.182 4.102 -4.655 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.162 3.044 -4.515 1.00 0.00 C ATOM 1058 C ASP A 67 -2.446 3.173 -3.168 1.00 0.00 C ATOM 1059 O ASP A 67 -2.209 2.163 -2.505 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.133 3.090 -5.672 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.737 2.703 -7.024 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -2.747 1.502 -7.351 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.216 3.590 -7.761 1.00 0.00 O ATOM 0 H ASP A 67 -3.966 4.785 -5.381 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.673 2.082 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.716 4.095 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.307 2.417 -5.443 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.083 4.423 -2.778 1.00 0.00 N ATOM 1069 CA LEU A 68 -1.553 4.699 -1.420 1.00 0.00 C ATOM 1070 C LEU A 68 -2.576 4.285 -0.355 1.00 0.00 C ATOM 1071 O LEU A 68 -2.232 3.612 0.585 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.156 6.202 -1.204 1.00 0.00 C ATOM 1073 CG LEU A 68 0.298 6.614 -1.574 1.00 0.00 C ATOM 1074 CD1 LEU A 68 1.325 5.670 -0.927 1.00 0.00 C ATOM 1075 CD2 LEU A 68 0.484 6.720 -3.099 1.00 0.00 C ATOM 0 H LEU A 68 -2.147 5.245 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.643 4.107 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.840 6.819 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.320 6.447 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 68 0.477 7.609 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.332 5.983 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.219 5.705 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.153 4.652 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.511 7.010 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.271 5.755 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.199 7.470 -3.498 1.00 0.00 H new ATOM 1087 N ALA A 69 -3.836 4.649 -0.573 1.00 0.00 N ATOM 1088 CA ALA A 69 -4.936 4.409 0.374 1.00 0.00 C ATOM 1089 C ALA A 69 -5.120 2.909 0.615 1.00 0.00 C ATOM 1090 O ALA A 69 -5.346 2.464 1.743 1.00 0.00 O ATOM 1091 CB ALA A 69 -6.212 5.052 -0.175 1.00 0.00 C ATOM 0 H ALA A 69 -4.133 5.127 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.701 4.862 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.034 4.880 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.057 6.124 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.455 4.610 -1.141 1.00 0.00 H new ATOM 1097 N ASP A 70 -4.959 2.149 -0.478 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.004 0.685 -0.465 1.00 0.00 C ATOM 1099 C ASP A 70 -3.819 0.118 0.335 1.00 0.00 C ATOM 1100 O ASP A 70 -4.014 -0.669 1.257 1.00 0.00 O ATOM 1101 CB ASP A 70 -4.993 0.125 -1.909 1.00 0.00 C ATOM 1102 CG ASP A 70 -5.186 -1.402 -1.966 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -6.349 -1.867 -1.988 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -4.182 -2.150 -1.950 1.00 0.00 O ATOM 0 H ASP A 70 -4.792 2.541 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.931 0.376 0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.783 0.607 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.047 0.384 -2.386 1.00 0.00 H new ATOM 1109 N LEU A 71 -2.594 0.569 -0.012 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.340 0.034 0.567 1.00 0.00 C ATOM 1111 C LEU A 71 -1.198 0.392 2.062 1.00 0.00 C ATOM 1112 O LEU A 71 -0.903 -0.490 2.863 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.080 0.501 -0.241 1.00 0.00 C ATOM 1114 CG LEU A 71 0.428 -0.459 -1.363 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.843 -1.822 -0.782 1.00 0.00 C ATOM 1116 CD2 LEU A 71 -0.614 -0.610 -2.480 1.00 0.00 C ATOM 0 H LEU A 71 -2.446 1.310 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.400 -1.052 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.305 1.466 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.736 0.663 0.464 1.00 0.00 H new ATOM 0 HG LEU A 71 1.317 -0.012 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.192 -2.469 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.644 -1.680 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.013 -2.284 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.231 -1.284 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.536 -1.018 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.816 0.365 -2.923 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.389 1.684 2.416 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.450 2.178 3.816 1.00 0.00 C ATOM 1130 C VAL A 72 -2.433 1.333 4.654 1.00 0.00 C ATOM 1131 O VAL A 72 -2.102 0.901 5.759 1.00 0.00 O ATOM 1132 CB VAL A 72 -1.882 3.708 3.879 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.046 4.198 5.342 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -0.871 4.617 3.114 1.00 0.00 C ATOM 0 H VAL A 72 -1.507 2.427 1.727 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.447 2.083 4.232 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.852 3.783 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.341 5.247 5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.812 3.605 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.100 4.087 5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.196 5.656 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.118 4.518 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.828 4.313 2.068 1.00 0.00 H new ATOM 1144 N ASP A 73 -3.617 1.058 4.079 1.00 0.00 N ATOM 1145 CA ASP A 73 -4.674 0.263 4.743 1.00 0.00 C ATOM 1146 C ASP A 73 -4.274 -1.226 4.852 1.00 0.00 C ATOM 1147 O ASP A 73 -4.686 -1.919 5.787 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.009 0.412 3.976 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.207 -0.203 4.716 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -7.742 0.446 5.639 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.613 -1.342 4.389 1.00 0.00 O ATOM 0 H ASP A 73 -3.871 1.378 3.144 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.801 0.645 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.203 1.470 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.913 -0.061 2.998 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.470 -1.701 3.879 1.00 0.00 N ATOM 1157 CA LYS A 74 -2.892 -3.066 3.909 1.00 0.00 C ATOM 1158 C LYS A 74 -1.921 -3.192 5.095 1.00 0.00 C ATOM 1159 O LYS A 74 -1.889 -4.227 5.769 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.177 -3.437 2.575 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.112 -3.690 1.370 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.104 -4.853 1.613 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.011 -5.121 0.401 1.00 0.00 C ATOM 1164 NZ LYS A 74 -5.795 -3.921 0.020 1.00 0.00 N ATOM 0 H LYS A 74 -3.203 -1.158 3.057 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.714 -3.771 4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.488 -2.633 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.576 -4.331 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.672 -2.780 1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.510 -3.911 0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.545 -5.758 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.722 -4.623 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.402 -5.440 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.691 -5.941 0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.807 -4.158 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.628 -3.163 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.500 -3.599 -0.924 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.169 -2.103 5.368 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.203 -2.046 6.478 1.00 0.00 C ATOM 1180 C LYS A 75 -0.959 -1.967 7.825 1.00 0.00 C ATOM 1181 O LYS A 75 -0.559 -2.596 8.810 1.00 0.00 O ATOM 1182 CB LYS A 75 0.732 -0.811 6.342 1.00 0.00 C ATOM 1183 CG LYS A 75 1.348 -0.536 4.953 1.00 0.00 C ATOM 1184 CD LYS A 75 2.226 -1.681 4.412 1.00 0.00 C ATOM 1185 CE LYS A 75 2.769 -1.390 2.997 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.674 -2.467 2.520 1.00 0.00 N ATOM 0 H LYS A 75 -1.217 -1.242 4.824 1.00 0.00 H new ATOM 0 HA LYS A 75 0.406 -2.950 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.169 0.073 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.548 -0.926 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.544 -0.344 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.948 0.372 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.062 -1.846 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.644 -2.603 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.935 -1.282 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.305 -0.441 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.044 -2.218 1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.465 -2.576 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.147 -3.362 2.459 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.061 -1.182 7.836 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.970 -1.043 8.998 1.00 0.00 C ATOM 1202 C LEU A 76 -3.606 -2.405 9.359 1.00 0.00 C ATOM 1203 O LEU A 76 -3.807 -2.714 10.536 1.00 0.00 O ATOM 1204 CB LEU A 76 -4.083 0.003 8.686 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.611 1.493 8.547 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.695 2.381 7.898 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -3.189 2.073 9.915 1.00 0.00 C ATOM 0 H LEU A 76 -2.347 -0.623 7.032 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.388 -0.697 9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.577 -0.288 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.832 -0.047 9.476 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.743 1.492 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.328 3.405 7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.928 2.002 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.595 2.364 8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.867 3.107 9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.035 2.038 10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.367 1.484 10.322 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.904 -3.200 8.314 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.434 -4.573 8.454 1.00 0.00 C ATOM 1221 C ALA A 77 -3.379 -5.525 9.056 1.00 0.00 C ATOM 1222 O ALA A 77 -3.725 -6.461 9.771 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.933 -5.089 7.097 1.00 0.00 C ATOM 0 H ALA A 77 -3.784 -2.908 7.344 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.276 -4.544 9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.321 -6.101 7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.725 -4.437 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.108 -5.096 6.385 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.091 -5.267 8.755 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.958 -6.001 9.367 1.00 0.00 C ATOM 1231 C ARG A 78 -0.779 -5.584 10.847 1.00 0.00 C ATOM 1232 O ARG A 78 -0.268 -6.357 11.661 1.00 0.00 O ATOM 1233 CB ARG A 78 0.357 -5.756 8.572 1.00 0.00 C ATOM 1234 CG ARG A 78 0.294 -6.128 7.074 1.00 0.00 C ATOM 1235 CD ARG A 78 0.002 -7.615 6.834 1.00 0.00 C ATOM 1236 NE ARG A 78 -0.110 -7.931 5.395 1.00 0.00 N ATOM 1237 CZ ARG A 78 0.390 -9.026 4.791 1.00 0.00 C ATOM 1238 NH1 ARG A 78 1.126 -9.898 5.464 1.00 0.00 N ATOM 1239 NH2 ARG A 78 0.170 -9.209 3.502 1.00 0.00 N ATOM 0 H ARG A 78 -1.805 -4.551 8.087 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.185 -7.066 9.330 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.625 -4.703 8.658 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.158 -6.328 9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.478 -5.530 6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.242 -5.869 6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.796 -8.217 7.277 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.925 -7.889 7.339 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.609 -7.262 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.321 -9.745 6.453 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.498 -10.723 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.373 -8.525 2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.543 -10.034 3.033 1.00 0.00 H new ATOM 1253 N LYS A 79 -1.222 -4.352 11.184 1.00 0.00 N ATOM 1254 CA LYS A 79 -1.151 -3.804 12.561 1.00 0.00 C ATOM 1255 C LYS A 79 -2.275 -4.343 13.467 1.00 0.00 C ATOM 1256 O LYS A 79 -2.263 -4.050 14.673 1.00 0.00 O ATOM 1257 CB LYS A 79 -1.215 -2.253 12.541 1.00 0.00 C ATOM 1258 CG LYS A 79 -0.006 -1.555 11.891 1.00 0.00 C ATOM 1259 CD LYS A 79 1.338 -1.891 12.584 1.00 0.00 C ATOM 1260 CE LYS A 79 2.466 -0.928 12.179 1.00 0.00 C ATOM 1261 NZ LYS A 79 2.637 -0.845 10.709 1.00 0.00 N ATOM 0 H LYS A 79 -1.639 -3.709 10.511 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.196 -4.131 12.973 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.118 -1.949 12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.312 -1.896 13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.051 -1.844 10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.161 -0.476 11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.205 -1.855 13.665 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.628 -2.911 12.332 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.252 0.065 12.574 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.401 -1.256 12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.362 -0.134 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.934 -1.771 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.735 -0.571 10.269 1.00 0.00 H new