USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 666 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 48 ASN : amide:sc= -1.72 K(o=-0.9,f=-9!) USER MOD Set 1.2: A 78 THR OG1 : rot 86:sc= 0.814 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc=-0.00693 USER MOD Single : A 27 GLN : amide:sc= -0.176 K(o=-0.18,f=-3!) USER MOD Single : A 32 GLN : amide:sc= -0.819 X(o=-0.82,f=-0.85) USER MOD Single : A 33 CYS SG : rot -21:sc= 0.491 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -35:sc= -0.928 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.14! C(o=-1.1!,f=-3.1!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 48:sc= 0.212 USER MOD Single : A 59 CYS SG : rot -160:sc= -1.81 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0.511 K(o=0.51,f=-3.1!) USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 108:sc= 0.43 USER MOD Single : A 85 ASN : amide:sc= -6.75! C(o=-6.7!,f=-26!) USER MOD Single : A 89 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.053) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 104:sc= 1.06 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 99 HIS : no HE2:sc= -2.96! C(o=-3!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 18.412 0.059 1.376 1.00 0.00 N ATOM 84 CA GLU A 9 17.138 -0.498 0.938 1.00 0.00 C ATOM 85 C GLU A 9 16.504 -1.340 2.041 1.00 0.00 C ATOM 86 O GLU A 9 17.116 -1.584 3.081 1.00 0.00 O ATOM 87 CB GLU A 9 17.332 -1.348 -0.319 1.00 0.00 C ATOM 88 CG GLU A 9 17.786 -0.549 -1.530 1.00 0.00 C ATOM 89 CD GLU A 9 18.632 -1.367 -2.485 1.00 0.00 C ATOM 90 OE1 GLU A 9 18.460 -2.604 -2.519 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.467 -0.773 -3.198 1.00 0.00 O ATOM 0 HA GLU A 9 16.469 0.331 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.067 -2.126 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.394 -1.850 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.912 -0.170 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.357 0.317 -1.196 1.00 0.00 H new ATOM 98 N VAL A 10 15.272 -1.781 1.807 1.00 0.00 N ATOM 99 CA VAL A 10 14.554 -2.596 2.780 1.00 0.00 C ATOM 100 C VAL A 10 13.507 -3.470 2.099 1.00 0.00 C ATOM 101 O VAL A 10 13.229 -3.311 0.910 1.00 0.00 O ATOM 102 CB VAL A 10 13.864 -1.723 3.844 1.00 0.00 C ATOM 103 CG1 VAL A 10 14.785 -1.504 5.035 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.431 -0.394 3.243 1.00 0.00 C ATOM 0 H VAL A 10 14.750 -1.588 0.952 1.00 0.00 H new ATOM 0 HA VAL A 10 15.294 -3.232 3.267 1.00 0.00 H new ATOM 0 HB VAL A 10 12.974 -2.245 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.280 -0.885 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.041 -2.466 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.695 -1.004 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.945 0.211 4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.305 0.135 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.732 -0.575 2.426 1.00 0.00 H new ATOM 114 N ALA A 11 12.929 -4.394 2.860 1.00 0.00 N ATOM 115 CA ALA A 11 11.910 -5.291 2.330 1.00 0.00 C ATOM 116 C ALA A 11 10.510 -4.736 2.570 1.00 0.00 C ATOM 117 O ALA A 11 10.268 -3.984 3.514 1.00 0.00 O ATOM 118 CB ALA A 11 12.046 -6.672 2.956 1.00 0.00 C ATOM 0 H ALA A 11 13.149 -4.541 3.845 1.00 0.00 H new ATOM 0 HA ALA A 11 12.060 -5.374 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.279 -7.332 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.031 -7.079 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.925 -6.595 4.037 1.00 0.00 H new ATOM 124 N PRO A 12 9.566 -5.111 1.695 1.00 0.00 N ATOM 125 CA PRO A 12 8.174 -4.662 1.790 1.00 0.00 C ATOM 126 C PRO A 12 7.448 -5.271 2.985 1.00 0.00 C ATOM 127 O PRO A 12 7.633 -6.446 3.302 1.00 0.00 O ATOM 128 CB PRO A 12 7.552 -5.151 0.480 1.00 0.00 C ATOM 129 CG PRO A 12 8.389 -6.315 0.075 1.00 0.00 C ATOM 130 CD PRO A 12 9.784 -6.005 0.545 1.00 0.00 C ATOM 0 HA PRO A 12 8.103 -3.584 1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.511 -5.442 0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.565 -4.370 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.021 -7.236 0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.364 -6.457 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.321 -6.909 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.372 -5.521 -0.234 1.00 0.00 H new ATOM 138 N SER A 13 6.622 -4.466 3.644 1.00 0.00 N ATOM 139 CA SER A 13 5.871 -4.926 4.806 1.00 0.00 C ATOM 140 C SER A 13 4.693 -3.999 5.094 1.00 0.00 C ATOM 141 O SER A 13 4.657 -2.860 4.628 1.00 0.00 O ATOM 142 CB SER A 13 6.784 -5.004 6.031 1.00 0.00 C ATOM 143 OG SER A 13 6.351 -6.015 6.926 1.00 0.00 O ATOM 0 H SER A 13 6.456 -3.491 3.393 1.00 0.00 H new ATOM 0 HA SER A 13 5.483 -5.921 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.807 -5.208 5.714 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.795 -4.041 6.542 1.00 0.00 H new ATOM 0 HG SER A 13 6.952 -6.046 7.700 1.00 0.00 H new ATOM 149 N PHE A 14 3.732 -4.496 5.865 1.00 0.00 N ATOM 150 CA PHE A 14 2.552 -3.714 6.214 1.00 0.00 C ATOM 151 C PHE A 14 2.543 -3.379 7.703 1.00 0.00 C ATOM 152 O PHE A 14 2.609 -4.268 8.551 1.00 0.00 O ATOM 153 CB PHE A 14 1.279 -4.480 5.845 1.00 0.00 C ATOM 154 CG PHE A 14 1.055 -4.592 4.364 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.637 -3.495 3.629 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.264 -5.794 3.708 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.429 -3.596 2.266 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.059 -5.901 2.345 1.00 0.00 C ATOM 159 CZ PHE A 14 0.642 -4.800 1.623 1.00 0.00 C ATOM 0 H PHE A 14 3.747 -5.436 6.260 1.00 0.00 H new ATOM 0 HA PHE A 14 2.584 -2.782 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.330 -5.481 6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.421 -3.983 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.472 -2.551 4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.591 -6.658 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.100 -2.734 1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.225 -6.844 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.483 -4.880 0.558 1.00 0.00 H new ATOM 169 N SER A 15 2.462 -2.089 8.012 1.00 0.00 N ATOM 170 CA SER A 15 2.449 -1.634 9.398 1.00 0.00 C ATOM 171 C SER A 15 1.019 -1.448 9.895 1.00 0.00 C ATOM 172 O SER A 15 0.730 -1.644 11.075 1.00 0.00 O ATOM 173 CB SER A 15 3.223 -0.321 9.533 1.00 0.00 C ATOM 174 OG SER A 15 3.172 0.167 10.862 1.00 0.00 O ATOM 0 H SER A 15 2.404 -1.340 7.322 1.00 0.00 H new ATOM 0 HA SER A 15 2.931 -2.396 10.010 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.261 -0.475 9.239 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.806 0.422 8.853 1.00 0.00 H new ATOM 0 HG SER A 15 3.675 1.006 10.922 1.00 0.00 H new ATOM 180 N SER A 16 0.128 -1.067 8.986 1.00 0.00 N ATOM 181 CA SER A 16 -1.272 -0.849 9.331 1.00 0.00 C ATOM 182 C SER A 16 -2.190 -1.639 8.402 1.00 0.00 C ATOM 183 O SER A 16 -3.135 -1.092 7.833 1.00 0.00 O ATOM 184 CB SER A 16 -1.612 0.640 9.258 1.00 0.00 C ATOM 185 OG SER A 16 -2.636 0.976 10.178 1.00 0.00 O ATOM 0 H SER A 16 0.351 -0.903 8.004 1.00 0.00 H new ATOM 0 HA SER A 16 -1.428 -1.199 10.351 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.721 1.230 9.470 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.930 0.894 8.247 1.00 0.00 H new ATOM 0 HG SER A 16 -2.833 1.934 10.112 1.00 0.00 H new ATOM 191 N VAL A 17 -1.904 -2.928 8.255 1.00 0.00 N ATOM 192 CA VAL A 17 -2.704 -3.795 7.396 1.00 0.00 C ATOM 193 C VAL A 17 -4.178 -3.411 7.448 1.00 0.00 C ATOM 194 O VAL A 17 -4.653 -2.858 8.441 1.00 0.00 O ATOM 195 CB VAL A 17 -2.555 -5.274 7.798 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.122 -5.741 7.598 1.00 0.00 C ATOM 197 CG2 VAL A 17 -2.995 -5.481 9.240 1.00 0.00 C ATOM 0 H VAL A 17 -1.125 -3.396 8.719 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.333 -3.663 6.379 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.200 -5.873 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.037 -6.788 7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.846 -5.631 6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.454 -5.139 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.883 -6.532 9.507 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.378 -4.871 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.040 -5.189 9.347 1.00 0.00 H new ATOM 207 N LEU A 18 -4.898 -3.707 6.372 1.00 0.00 N ATOM 208 CA LEU A 18 -6.321 -3.393 6.294 1.00 0.00 C ATOM 209 C LEU A 18 -7.099 -4.117 7.388 1.00 0.00 C ATOM 210 O LEU A 18 -6.738 -5.221 7.796 1.00 0.00 O ATOM 211 CB LEU A 18 -6.873 -3.778 4.920 1.00 0.00 C ATOM 212 CG LEU A 18 -6.218 -3.096 3.718 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.273 -4.000 2.496 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.893 -1.763 3.428 1.00 0.00 C ATOM 0 H LEU A 18 -4.521 -4.164 5.542 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.440 -2.319 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.773 -4.857 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.939 -3.553 4.903 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.172 -2.906 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.802 -3.498 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.744 -4.929 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.312 -4.221 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.414 -1.292 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.948 -1.929 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.801 -1.112 4.297 1.00 0.00 H new ATOM 226 N LYS A 19 -8.171 -3.488 7.859 1.00 0.00 N ATOM 227 CA LYS A 19 -9.004 -4.072 8.904 1.00 0.00 C ATOM 228 C LYS A 19 -10.476 -4.046 8.504 1.00 0.00 C ATOM 229 O LYS A 19 -10.868 -3.320 7.590 1.00 0.00 O ATOM 230 CB LYS A 19 -8.808 -3.319 10.221 1.00 0.00 C ATOM 231 CG LYS A 19 -7.360 -3.252 10.675 1.00 0.00 C ATOM 232 CD LYS A 19 -7.254 -3.172 12.189 1.00 0.00 C ATOM 233 CE LYS A 19 -7.212 -4.556 12.819 1.00 0.00 C ATOM 234 NZ LYS A 19 -5.820 -5.071 12.933 1.00 0.00 N ATOM 0 H LYS A 19 -8.483 -2.573 7.533 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.701 -5.110 9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.192 -2.305 10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.401 -3.802 10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.825 -4.132 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.878 -2.382 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.356 -2.619 12.463 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.104 -2.616 12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.668 -4.519 13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.807 -5.246 12.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.834 -6.016 13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.393 -5.131 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.259 -4.426 13.525 1.00 0.00 H new ATOM 248 N ASP A 20 -11.285 -4.841 9.195 1.00 0.00 N ATOM 249 CA ASP A 20 -12.715 -4.907 8.914 1.00 0.00 C ATOM 250 C ASP A 20 -13.261 -3.530 8.550 1.00 0.00 C ATOM 251 O ASP A 20 -12.770 -2.509 9.033 1.00 0.00 O ATOM 252 CB ASP A 20 -13.468 -5.466 10.122 1.00 0.00 C ATOM 253 CG ASP A 20 -13.509 -4.489 11.281 1.00 0.00 C ATOM 254 OD1 ASP A 20 -14.334 -3.553 11.240 1.00 0.00 O ATOM 255 OD2 ASP A 20 -12.716 -4.663 12.230 1.00 0.00 O ATOM 0 H ASP A 20 -10.976 -5.449 9.954 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.863 -5.573 8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.487 -5.718 9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.992 -6.391 10.447 1.00 0.00 H new ATOM 260 N CYS A 21 -14.278 -3.510 7.695 1.00 0.00 N ATOM 261 CA CYS A 21 -14.890 -2.258 7.264 1.00 0.00 C ATOM 262 C CYS A 21 -16.381 -2.444 7.001 1.00 0.00 C ATOM 263 O CYS A 21 -16.851 -3.564 6.800 1.00 0.00 O ATOM 264 CB CYS A 21 -14.199 -1.735 6.004 1.00 0.00 C ATOM 265 SG CYS A 21 -14.367 0.048 5.756 1.00 0.00 S ATOM 0 H CYS A 21 -14.696 -4.346 7.287 1.00 0.00 H new ATOM 0 HA CYS A 21 -14.769 -1.529 8.065 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.139 -1.986 6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.609 -2.252 5.136 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.748 0.395 4.667 1.00 0.00 H new ATOM 271 N ALA A 22 -17.119 -1.339 7.006 1.00 0.00 N ATOM 272 CA ALA A 22 -18.557 -1.380 6.768 1.00 0.00 C ATOM 273 C ALA A 22 -19.045 -0.084 6.130 1.00 0.00 C ATOM 274 O ALA A 22 -18.675 1.009 6.559 1.00 0.00 O ATOM 275 CB ALA A 22 -19.300 -1.643 8.069 1.00 0.00 C ATOM 0 H ALA A 22 -16.745 -0.405 7.172 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.762 -2.195 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.372 -1.671 7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -18.981 -2.599 8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.080 -0.847 8.781 1.00 0.00 H new ATOM 281 N VAL A 23 -19.877 -0.213 5.101 1.00 0.00 N ATOM 282 CA VAL A 23 -20.416 0.948 4.404 1.00 0.00 C ATOM 283 C VAL A 23 -21.819 0.670 3.875 1.00 0.00 C ATOM 284 O VAL A 23 -22.242 -0.483 3.788 1.00 0.00 O ATOM 285 CB VAL A 23 -19.511 1.368 3.230 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.785 0.504 2.009 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.709 2.841 2.906 1.00 0.00 C ATOM 0 H VAL A 23 -20.192 -1.110 4.732 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.459 1.760 5.129 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.472 1.220 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.137 0.815 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.588 -0.540 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.827 0.617 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.062 3.121 2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.749 3.017 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.458 3.443 3.779 1.00 0.00 H new ATOM 297 N ILE A 24 -22.534 1.733 3.524 1.00 0.00 N ATOM 298 CA ILE A 24 -23.889 1.603 3.002 1.00 0.00 C ATOM 299 C ILE A 24 -23.951 1.992 1.529 1.00 0.00 C ATOM 300 O ILE A 24 -23.080 2.704 1.029 1.00 0.00 O ATOM 301 CB ILE A 24 -24.883 2.473 3.794 1.00 0.00 C ATOM 302 CG1 ILE A 24 -24.865 2.088 5.275 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.285 2.330 3.221 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.556 3.093 6.169 1.00 0.00 C ATOM 0 H ILE A 24 -22.198 2.694 3.591 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.169 0.555 3.110 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.580 3.516 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.345 1.117 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -23.831 1.975 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.976 2.951 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.286 2.649 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.598 1.288 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.504 2.755 7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -25.063 4.061 6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -26.600 3.189 5.870 1.00 0.00 H new ATOM 316 N GLU A 25 -24.987 1.523 0.841 1.00 0.00 N ATOM 317 CA GLU A 25 -25.162 1.823 -0.575 1.00 0.00 C ATOM 318 C GLU A 25 -25.207 3.330 -0.809 1.00 0.00 C ATOM 319 O GLU A 25 -25.861 4.065 -0.071 1.00 0.00 O ATOM 320 CB GLU A 25 -26.444 1.175 -1.101 1.00 0.00 C ATOM 321 CG GLU A 25 -26.706 1.452 -2.572 1.00 0.00 C ATOM 322 CD GLU A 25 -27.512 2.717 -2.793 1.00 0.00 C ATOM 323 OE1 GLU A 25 -28.723 2.711 -2.491 1.00 0.00 O ATOM 324 OE2 GLU A 25 -26.930 3.715 -3.269 1.00 0.00 O ATOM 0 H GLU A 25 -25.717 0.934 1.241 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.309 1.414 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.386 0.097 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.290 1.535 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.755 1.536 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -27.238 0.606 -3.008 1.00 0.00 H new ATOM 331 N GLY A 26 -24.506 3.784 -1.844 1.00 0.00 N ATOM 332 CA GLY A 26 -24.478 5.200 -2.158 1.00 0.00 C ATOM 333 C GLY A 26 -23.383 5.938 -1.413 1.00 0.00 C ATOM 334 O GLY A 26 -22.846 6.928 -1.908 1.00 0.00 O ATOM 0 H GLY A 26 -23.957 3.196 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.333 5.328 -3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.443 5.643 -1.911 1.00 0.00 H new ATOM 338 N GLN A 27 -23.053 5.455 -0.220 1.00 0.00 N ATOM 339 CA GLN A 27 -22.016 6.077 0.596 1.00 0.00 C ATOM 340 C GLN A 27 -20.646 5.921 -0.054 1.00 0.00 C ATOM 341 O GLN A 27 -20.519 5.323 -1.123 1.00 0.00 O ATOM 342 CB GLN A 27 -22.003 5.464 1.997 1.00 0.00 C ATOM 343 CG GLN A 27 -23.210 5.844 2.839 1.00 0.00 C ATOM 344 CD GLN A 27 -23.068 7.211 3.479 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.753 8.194 2.807 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.300 7.281 4.784 1.00 0.00 N ATOM 0 H GLN A 27 -23.488 4.635 0.203 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.241 7.141 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.959 4.378 1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.096 5.779 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -24.103 5.831 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -23.355 5.096 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -23.559 6.441 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.220 8.175 5.269 1.00 0.00 H new ATOM 355 N ASP A 28 -19.622 6.461 0.598 1.00 0.00 N ATOM 356 CA ASP A 28 -18.260 6.381 0.084 1.00 0.00 C ATOM 357 C ASP A 28 -17.315 5.806 1.136 1.00 0.00 C ATOM 358 O ASP A 28 -17.499 6.022 2.334 1.00 0.00 O ATOM 359 CB ASP A 28 -17.775 7.763 -0.354 1.00 0.00 C ATOM 360 CG ASP A 28 -18.811 8.508 -1.172 1.00 0.00 C ATOM 361 OD1 ASP A 28 -19.557 7.849 -1.927 1.00 0.00 O ATOM 362 OD2 ASP A 28 -18.877 9.749 -1.058 1.00 0.00 O ATOM 0 H ASP A 28 -19.710 6.959 1.484 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.262 5.715 -0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -17.520 8.352 0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -16.862 7.656 -0.940 1.00 0.00 H new ATOM 367 N PHE A 29 -16.305 5.074 0.679 1.00 0.00 N ATOM 368 CA PHE A 29 -15.333 4.466 1.581 1.00 0.00 C ATOM 369 C PHE A 29 -13.984 4.291 0.888 1.00 0.00 C ATOM 370 O PHE A 29 -13.912 3.799 -0.238 1.00 0.00 O ATOM 371 CB PHE A 29 -15.843 3.112 2.078 1.00 0.00 C ATOM 372 CG PHE A 29 -15.679 2.005 1.077 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.477 1.324 0.968 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.726 1.645 0.244 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.324 0.305 0.047 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.579 0.627 -0.679 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.376 -0.045 -0.777 1.00 0.00 C ATOM 0 H PHE A 29 -16.138 4.887 -0.310 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.201 5.131 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.312 2.846 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.898 3.203 2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.651 1.592 1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.669 2.167 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.382 -0.218 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.403 0.357 -1.323 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.258 -0.842 -1.496 1.00 0.00 H new ATOM 387 N VAL A 30 -12.918 4.698 1.570 1.00 0.00 N ATOM 388 CA VAL A 30 -11.572 4.586 1.022 1.00 0.00 C ATOM 389 C VAL A 30 -10.673 3.760 1.936 1.00 0.00 C ATOM 390 O VAL A 30 -10.318 4.195 3.033 1.00 0.00 O ATOM 391 CB VAL A 30 -10.935 5.972 0.810 1.00 0.00 C ATOM 392 CG1 VAL A 30 -11.216 6.876 2.000 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.439 5.840 0.571 1.00 0.00 C ATOM 0 H VAL A 30 -12.961 5.108 2.503 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.664 4.085 0.058 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.382 6.427 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.758 7.851 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.293 6.996 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.799 6.430 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.005 6.829 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.973 5.365 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.265 5.231 -0.316 1.00 0.00 H new ATOM 403 N LEU A 31 -10.308 2.568 1.478 1.00 0.00 N ATOM 404 CA LEU A 31 -9.449 1.681 2.254 1.00 0.00 C ATOM 405 C LEU A 31 -8.032 2.238 2.347 1.00 0.00 C ATOM 406 O LEU A 31 -7.288 2.233 1.367 1.00 0.00 O ATOM 407 CB LEU A 31 -9.421 0.287 1.625 1.00 0.00 C ATOM 408 CG LEU A 31 -10.782 -0.364 1.374 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.716 -1.292 0.171 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.245 -1.122 2.610 1.00 0.00 C ATOM 0 H LEU A 31 -10.593 2.193 0.573 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.858 1.610 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.890 0.350 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.840 -0.370 2.272 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.506 0.422 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.693 -1.746 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.428 -0.722 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.979 -2.074 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.215 -1.579 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.520 -1.899 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.332 -0.432 3.449 1.00 0.00 H new ATOM 422 N GLN A 32 -7.666 2.715 3.533 1.00 0.00 N ATOM 423 CA GLN A 32 -6.338 3.274 3.753 1.00 0.00 C ATOM 424 C GLN A 32 -5.468 2.310 4.553 1.00 0.00 C ATOM 425 O GLN A 32 -5.907 1.750 5.559 1.00 0.00 O ATOM 426 CB GLN A 32 -6.440 4.614 4.484 1.00 0.00 C ATOM 427 CG GLN A 32 -5.091 5.243 4.793 1.00 0.00 C ATOM 428 CD GLN A 32 -5.217 6.555 5.542 1.00 0.00 C ATOM 429 OE1 GLN A 32 -6.267 6.862 6.108 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.145 7.338 5.549 1.00 0.00 N ATOM 0 H GLN A 32 -8.270 2.725 4.355 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.873 3.434 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.024 5.306 3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.986 4.469 5.416 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.497 4.547 5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.551 5.411 3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.296 7.044 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.171 8.234 6.037 1.00 0.00 H new ATOM 439 N CYS A 33 -4.233 2.121 4.101 1.00 0.00 N ATOM 440 CA CYS A 33 -3.301 1.224 4.775 1.00 0.00 C ATOM 441 C CYS A 33 -1.872 1.749 4.675 1.00 0.00 C ATOM 442 O CYS A 33 -1.549 2.532 3.782 1.00 0.00 O ATOM 443 CB CYS A 33 -3.385 -0.179 4.171 1.00 0.00 C ATOM 444 SG CYS A 33 -3.096 -0.233 2.387 1.00 0.00 S ATOM 0 H CYS A 33 -3.854 2.577 3.271 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.578 1.176 5.828 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.656 -0.820 4.666 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.370 -0.595 4.381 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.305 0.945 1.878 1.00 0.00 H new ATOM 450 N SER A 34 -1.022 1.314 5.599 1.00 0.00 N ATOM 451 CA SER A 34 0.371 1.744 5.619 1.00 0.00 C ATOM 452 C SER A 34 1.298 0.604 5.208 1.00 0.00 C ATOM 453 O SER A 34 1.190 -0.513 5.715 1.00 0.00 O ATOM 454 CB SER A 34 0.751 2.249 7.012 1.00 0.00 C ATOM 455 OG SER A 34 2.089 2.715 7.038 1.00 0.00 O ATOM 0 H SER A 34 -1.273 0.664 6.344 1.00 0.00 H new ATOM 0 HA SER A 34 0.485 2.557 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.077 3.053 7.307 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.628 1.447 7.739 1.00 0.00 H new ATOM 0 HG SER A 34 2.307 3.034 7.939 1.00 0.00 H new ATOM 461 N VAL A 35 2.210 0.894 4.286 1.00 0.00 N ATOM 462 CA VAL A 35 3.157 -0.105 3.806 1.00 0.00 C ATOM 463 C VAL A 35 4.565 0.472 3.713 1.00 0.00 C ATOM 464 O VAL A 35 4.771 1.546 3.148 1.00 0.00 O ATOM 465 CB VAL A 35 2.746 -0.651 2.426 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.491 0.490 1.454 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.813 -1.593 1.887 1.00 0.00 C ATOM 0 H VAL A 35 2.313 1.813 3.856 1.00 0.00 H new ATOM 0 HA VAL A 35 3.149 -0.921 4.529 1.00 0.00 H new ATOM 0 HB VAL A 35 1.819 -1.214 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.202 0.084 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.689 1.122 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.399 1.083 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.506 -1.970 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.756 -1.056 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.941 -2.429 2.575 1.00 0.00 H new ATOM 477 N ARG A 36 5.532 -0.248 4.272 1.00 0.00 N ATOM 478 CA ARG A 36 6.922 0.193 4.254 1.00 0.00 C ATOM 479 C ARG A 36 7.751 -0.663 3.300 1.00 0.00 C ATOM 480 O ARG A 36 7.387 -1.796 2.991 1.00 0.00 O ATOM 481 CB ARG A 36 7.518 0.130 5.661 1.00 0.00 C ATOM 482 CG ARG A 36 6.759 0.962 6.682 1.00 0.00 C ATOM 483 CD ARG A 36 7.274 0.719 8.092 1.00 0.00 C ATOM 484 NE ARG A 36 8.411 1.577 8.414 1.00 0.00 N ATOM 485 CZ ARG A 36 8.818 1.821 9.655 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.185 1.276 10.684 1.00 0.00 N ATOM 487 NH2 ARG A 36 9.862 2.612 9.868 1.00 0.00 N ATOM 0 H ARG A 36 5.379 -1.140 4.743 1.00 0.00 H new ATOM 0 HA ARG A 36 6.945 1.225 3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.536 -0.908 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.553 0.471 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.855 2.019 6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.697 0.719 6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.471 0.898 8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.567 -0.326 8.196 1.00 0.00 H new ATOM 0 HE ARG A 36 8.920 2.012 7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.382 0.667 10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.500 1.466 11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.352 3.033 9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.174 2.799 10.821 1.00 0.00 H new ATOM 501 N GLY A 37 8.868 -0.110 2.836 1.00 0.00 N ATOM 502 CA GLY A 37 9.730 -0.836 1.922 1.00 0.00 C ATOM 503 C GLY A 37 10.664 0.080 1.156 1.00 0.00 C ATOM 504 O GLY A 37 10.512 1.302 1.187 1.00 0.00 O ATOM 0 H GLY A 37 9.191 0.827 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.318 -1.563 2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.117 -1.397 1.217 1.00 0.00 H new ATOM 508 N THR A 38 11.635 -0.510 0.466 1.00 0.00 N ATOM 509 CA THR A 38 12.599 0.261 -0.309 1.00 0.00 C ATOM 510 C THR A 38 13.364 -0.632 -1.280 1.00 0.00 C ATOM 511 O THR A 38 14.046 -1.578 -0.885 1.00 0.00 O ATOM 512 CB THR A 38 13.605 0.985 0.605 1.00 0.00 C ATOM 513 OG1 THR A 38 12.907 1.702 1.630 1.00 0.00 O ATOM 514 CG2 THR A 38 14.468 1.948 -0.195 1.00 0.00 C ATOM 0 H THR A 38 11.775 -1.520 0.428 1.00 0.00 H new ATOM 0 HA THR A 38 12.031 1.002 -0.871 1.00 0.00 H new ATOM 0 HB THR A 38 14.252 0.236 1.061 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.066 2.052 1.269 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.170 2.447 0.472 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.020 1.396 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.833 2.692 -0.676 1.00 0.00 H new ATOM 522 N PRO A 39 13.250 -0.327 -2.581 1.00 0.00 N ATOM 523 CA PRO A 39 12.441 0.796 -3.063 1.00 0.00 C ATOM 524 C PRO A 39 10.946 0.550 -2.889 1.00 0.00 C ATOM 525 O PRO A 39 10.495 -0.595 -2.854 1.00 0.00 O ATOM 526 CB PRO A 39 12.800 0.881 -4.548 1.00 0.00 C ATOM 527 CG PRO A 39 13.241 -0.496 -4.910 1.00 0.00 C ATOM 528 CD PRO A 39 13.903 -1.055 -3.682 1.00 0.00 C ATOM 0 HA PRO A 39 12.644 1.712 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.943 1.192 -5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.592 1.609 -4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.393 -1.111 -5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.933 -0.475 -5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.751 -2.131 -3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.980 -0.885 -3.693 1.00 0.00 H new ATOM 536 N VAL A 40 10.181 1.632 -2.782 1.00 0.00 N ATOM 537 CA VAL A 40 8.736 1.533 -2.614 1.00 0.00 C ATOM 538 C VAL A 40 8.166 0.377 -3.429 1.00 0.00 C ATOM 539 O VAL A 40 8.416 0.247 -4.628 1.00 0.00 O ATOM 540 CB VAL A 40 8.032 2.838 -3.032 1.00 0.00 C ATOM 541 CG1 VAL A 40 7.732 2.829 -4.523 1.00 0.00 C ATOM 542 CG2 VAL A 40 6.758 3.037 -2.225 1.00 0.00 C ATOM 0 H VAL A 40 10.538 2.587 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 40 8.552 1.353 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 40 8.701 3.674 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.235 3.759 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.664 2.736 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.082 1.986 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.273 3.963 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.083 2.199 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.004 3.091 -1.164 1.00 0.00 H new ATOM 552 N PRO A 41 7.380 -0.483 -2.765 1.00 0.00 N ATOM 553 CA PRO A 41 6.757 -1.644 -3.408 1.00 0.00 C ATOM 554 C PRO A 41 5.658 -1.243 -4.387 1.00 0.00 C ATOM 555 O PRO A 41 5.236 -0.087 -4.422 1.00 0.00 O ATOM 556 CB PRO A 41 6.166 -2.426 -2.233 1.00 0.00 C ATOM 557 CG PRO A 41 5.942 -1.405 -1.172 1.00 0.00 C ATOM 558 CD PRO A 41 7.039 -0.390 -1.336 1.00 0.00 C ATOM 0 HA PRO A 41 7.472 -2.214 -4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.234 -2.917 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.848 -3.206 -1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.962 -0.941 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.975 -1.858 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.703 0.612 -1.068 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.896 -0.619 -0.703 1.00 0.00 H new ATOM 566 N ARG A 42 5.199 -2.206 -5.181 1.00 0.00 N ATOM 567 CA ARG A 42 4.150 -1.952 -6.161 1.00 0.00 C ATOM 568 C ARG A 42 2.770 -2.174 -5.549 1.00 0.00 C ATOM 569 O ARG A 42 2.511 -3.211 -4.936 1.00 0.00 O ATOM 570 CB ARG A 42 4.331 -2.859 -7.379 1.00 0.00 C ATOM 571 CG ARG A 42 5.297 -2.305 -8.413 1.00 0.00 C ATOM 572 CD ARG A 42 6.712 -2.218 -7.863 1.00 0.00 C ATOM 573 NE ARG A 42 7.657 -1.717 -8.858 1.00 0.00 N ATOM 574 CZ ARG A 42 8.030 -2.408 -9.930 1.00 0.00 C ATOM 575 NH1 ARG A 42 7.540 -3.621 -10.144 1.00 0.00 N ATOM 576 NH2 ARG A 42 8.894 -1.884 -10.790 1.00 0.00 N ATOM 0 H ARG A 42 5.537 -3.168 -5.164 1.00 0.00 H new ATOM 0 HA ARG A 42 4.226 -0.911 -6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.688 -3.833 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.361 -3.019 -7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.288 -2.941 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.966 -1.315 -8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.722 -1.563 -6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.031 -3.204 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 42 8.052 -0.786 -8.723 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.875 -4.026 -9.485 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.828 -4.149 -10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.272 -0.951 -10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.180 -2.415 -11.613 1.00 0.00 H new ATOM 590 N ILE A 43 1.889 -1.194 -5.718 1.00 0.00 N ATOM 591 CA ILE A 43 0.536 -1.283 -5.183 1.00 0.00 C ATOM 592 C ILE A 43 -0.457 -1.692 -6.266 1.00 0.00 C ATOM 593 O ILE A 43 -0.730 -0.932 -7.195 1.00 0.00 O ATOM 594 CB ILE A 43 0.085 0.055 -4.568 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.078 0.510 -3.497 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.312 -0.076 -3.981 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.321 -0.525 -2.420 1.00 0.00 C ATOM 0 H ILE A 43 2.088 -0.329 -6.221 1.00 0.00 H new ATOM 0 HA ILE A 43 0.554 -2.044 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 43 0.058 0.809 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.027 0.756 -3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.707 1.424 -3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.617 0.878 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.012 -0.359 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.310 -0.841 -3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.035 -0.135 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.382 -0.754 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.722 -1.433 -2.871 1.00 0.00 H new ATOM 609 N THR A 44 -0.999 -2.900 -6.138 1.00 0.00 N ATOM 610 CA THR A 44 -1.963 -3.411 -7.104 1.00 0.00 C ATOM 611 C THR A 44 -3.149 -4.064 -6.404 1.00 0.00 C ATOM 612 O THR A 44 -2.999 -5.080 -5.725 1.00 0.00 O ATOM 613 CB THR A 44 -1.315 -4.435 -8.056 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.242 -3.822 -8.779 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.341 -4.990 -9.033 1.00 0.00 C ATOM 0 H THR A 44 -0.786 -3.542 -5.375 1.00 0.00 H new ATOM 0 HA THR A 44 -2.313 -2.557 -7.684 1.00 0.00 H new ATOM 0 HB THR A 44 -0.925 -5.258 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.165 -4.480 -9.380 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.861 -5.711 -9.695 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.141 -5.482 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.758 -4.175 -9.625 1.00 0.00 H new ATOM 623 N TRP A 45 -4.327 -3.475 -6.575 1.00 0.00 N ATOM 624 CA TRP A 45 -5.540 -4.001 -5.959 1.00 0.00 C ATOM 625 C TRP A 45 -6.298 -4.900 -6.930 1.00 0.00 C ATOM 626 O TRP A 45 -6.310 -4.656 -8.137 1.00 0.00 O ATOM 627 CB TRP A 45 -6.441 -2.854 -5.498 1.00 0.00 C ATOM 628 CG TRP A 45 -5.740 -1.865 -4.618 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.728 -1.021 -4.976 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.998 -1.619 -3.231 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.341 -0.265 -3.896 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.105 -0.612 -2.814 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.897 -2.149 -2.302 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.086 -0.128 -1.508 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.877 -1.668 -1.006 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.977 -0.665 -0.619 1.00 0.00 C ATOM 0 H TRP A 45 -4.468 -2.634 -7.134 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.249 -4.596 -5.093 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.834 -2.336 -6.373 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.295 -3.266 -4.961 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.295 -0.957 -5.963 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.604 0.440 -3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.595 -2.921 -2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.393 0.644 -1.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.566 -2.072 -0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.987 -0.309 0.401 1.00 0.00 H new ATOM 647 N LEU A 46 -6.929 -5.940 -6.396 1.00 0.00 N ATOM 648 CA LEU A 46 -7.690 -6.877 -7.217 1.00 0.00 C ATOM 649 C LEU A 46 -8.962 -7.319 -6.501 1.00 0.00 C ATOM 650 O LEU A 46 -9.016 -7.350 -5.270 1.00 0.00 O ATOM 651 CB LEU A 46 -6.834 -8.097 -7.559 1.00 0.00 C ATOM 652 CG LEU A 46 -5.341 -7.835 -7.762 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.625 -7.764 -6.423 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.725 -8.912 -8.643 1.00 0.00 C ATOM 0 H LEU A 46 -6.929 -6.156 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.972 -6.368 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.948 -8.831 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.230 -8.550 -8.468 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.225 -6.874 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.564 -7.577 -6.587 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.048 -6.955 -5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.749 -8.709 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.662 -8.709 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.852 -9.886 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.219 -8.914 -9.615 1.00 0.00 H new ATOM 666 N LEU A 47 -9.983 -7.661 -7.278 1.00 0.00 N ATOM 667 CA LEU A 47 -11.256 -8.104 -6.718 1.00 0.00 C ATOM 668 C LEU A 47 -11.402 -9.619 -6.831 1.00 0.00 C ATOM 669 O LEU A 47 -11.950 -10.128 -7.807 1.00 0.00 O ATOM 670 CB LEU A 47 -12.418 -7.413 -7.433 1.00 0.00 C ATOM 671 CG LEU A 47 -13.805 -7.634 -6.828 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.809 -7.259 -5.354 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.852 -6.832 -7.587 1.00 0.00 C ATOM 0 H LEU A 47 -9.955 -7.640 -8.297 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.275 -7.833 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.220 -6.341 -7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.436 -7.755 -8.468 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.054 -8.692 -6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.804 -7.422 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.087 -7.877 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.539 -6.209 -5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.833 -7.002 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.607 -5.771 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.867 -7.148 -8.630 1.00 0.00 H new ATOM 685 N ASN A 48 -10.910 -10.332 -5.823 1.00 0.00 N ATOM 686 CA ASN A 48 -10.988 -11.788 -5.808 1.00 0.00 C ATOM 687 C ASN A 48 -10.748 -12.360 -7.202 1.00 0.00 C ATOM 688 O ASN A 48 -11.525 -13.179 -7.691 1.00 0.00 O ATOM 689 CB ASN A 48 -12.353 -12.242 -5.287 1.00 0.00 C ATOM 690 CG ASN A 48 -12.959 -11.249 -4.314 1.00 0.00 C ATOM 691 OD1 ASN A 48 -12.654 -11.267 -3.121 1.00 0.00 O ATOM 692 ND2 ASN A 48 -13.823 -10.377 -4.820 1.00 0.00 N ATOM 0 H ASN A 48 -10.453 -9.925 -5.007 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.210 -12.161 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.032 -12.383 -6.128 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.248 -13.210 -4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.264 -9.685 -4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.046 -10.399 -5.815 1.00 0.00 H new ATOM 699 N GLY A 49 -9.664 -11.922 -7.837 1.00 0.00 N ATOM 700 CA GLY A 49 -9.340 -12.401 -9.168 1.00 0.00 C ATOM 701 C GLY A 49 -8.346 -11.506 -9.880 1.00 0.00 C ATOM 702 O GLY A 49 -7.150 -11.543 -9.590 1.00 0.00 O ATOM 0 H GLY A 49 -9.005 -11.244 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.932 -13.409 -9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.253 -12.467 -9.759 1.00 0.00 H new ATOM 706 N GLN A 50 -8.840 -10.702 -10.816 1.00 0.00 N ATOM 707 CA GLN A 50 -7.985 -9.795 -11.573 1.00 0.00 C ATOM 708 C GLN A 50 -7.891 -8.436 -10.888 1.00 0.00 C ATOM 709 O GLN A 50 -8.721 -8.076 -10.053 1.00 0.00 O ATOM 710 CB GLN A 50 -8.519 -9.626 -12.996 1.00 0.00 C ATOM 711 CG GLN A 50 -10.028 -9.779 -13.102 1.00 0.00 C ATOM 712 CD GLN A 50 -10.465 -11.229 -13.161 1.00 0.00 C ATOM 713 OE1 GLN A 50 -11.058 -11.750 -12.215 1.00 0.00 O ATOM 714 NE2 GLN A 50 -10.174 -11.891 -14.275 1.00 0.00 N ATOM 0 H GLN A 50 -9.827 -10.660 -11.068 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.986 -10.229 -11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.235 -8.641 -13.367 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.041 -10.361 -13.644 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.499 -9.296 -12.246 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.380 -9.261 -13.994 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.681 -11.420 -15.034 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.443 -12.870 -14.371 1.00 0.00 H new ATOM 723 N PRO A 51 -6.856 -7.662 -11.247 1.00 0.00 N ATOM 724 CA PRO A 51 -6.630 -6.330 -10.679 1.00 0.00 C ATOM 725 C PRO A 51 -7.673 -5.318 -11.139 1.00 0.00 C ATOM 726 O PRO A 51 -8.168 -5.391 -12.264 1.00 0.00 O ATOM 727 CB PRO A 51 -5.245 -5.949 -11.209 1.00 0.00 C ATOM 728 CG PRO A 51 -5.090 -6.737 -12.463 1.00 0.00 C ATOM 729 CD PRO A 51 -5.828 -8.027 -12.236 1.00 0.00 C ATOM 0 HA PRO A 51 -6.699 -6.334 -9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.176 -4.879 -11.403 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.464 -6.193 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -5.501 -6.197 -13.316 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.038 -6.922 -12.680 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.272 -8.403 -13.157 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.167 -8.807 -11.859 1.00 0.00 H new ATOM 737 N ILE A 52 -8.002 -4.374 -10.264 1.00 0.00 N ATOM 738 CA ILE A 52 -8.985 -3.347 -10.582 1.00 0.00 C ATOM 739 C ILE A 52 -8.468 -2.408 -11.667 1.00 0.00 C ATOM 740 O ILE A 52 -7.363 -1.876 -11.565 1.00 0.00 O ATOM 741 CB ILE A 52 -9.358 -2.519 -9.338 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.780 -3.442 -8.192 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.470 -1.535 -9.670 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.891 -2.737 -6.859 1.00 0.00 C ATOM 0 H ILE A 52 -7.602 -4.299 -9.329 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.874 -3.863 -10.944 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.482 -1.953 -9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.741 -3.895 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.058 -4.254 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.722 -0.957 -8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.136 -0.860 -10.458 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.350 -2.081 -10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.194 -3.452 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.925 -2.308 -6.593 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.634 -1.943 -6.928 1.00 0.00 H new ATOM 756 N GLN A 53 -9.276 -2.208 -12.703 1.00 0.00 N ATOM 757 CA GLN A 53 -8.900 -1.332 -13.806 1.00 0.00 C ATOM 758 C GLN A 53 -9.145 0.130 -13.448 1.00 0.00 C ATOM 759 O GLN A 53 -8.232 0.955 -13.506 1.00 0.00 O ATOM 760 CB GLN A 53 -9.684 -1.699 -15.067 1.00 0.00 C ATOM 761 CG GLN A 53 -9.671 -3.186 -15.381 1.00 0.00 C ATOM 762 CD GLN A 53 -10.547 -3.541 -16.566 1.00 0.00 C ATOM 763 OE1 GLN A 53 -11.630 -4.105 -16.405 1.00 0.00 O ATOM 764 NE2 GLN A 53 -10.083 -3.211 -17.766 1.00 0.00 N ATOM 0 H GLN A 53 -10.195 -2.640 -12.802 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.835 -1.467 -13.997 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.717 -1.370 -14.951 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.269 -1.154 -15.914 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.648 -3.502 -15.583 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.008 -3.741 -14.506 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.180 -2.744 -17.853 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.630 -3.424 -18.600 1.00 0.00 H new ATOM 773 N TYR A 54 -10.381 0.445 -13.080 1.00 0.00 N ATOM 774 CA TYR A 54 -10.747 1.808 -12.715 1.00 0.00 C ATOM 775 C TYR A 54 -10.428 2.084 -11.249 1.00 0.00 C ATOM 776 O TYR A 54 -11.174 2.780 -10.561 1.00 0.00 O ATOM 777 CB TYR A 54 -12.235 2.048 -12.979 1.00 0.00 C ATOM 778 CG TYR A 54 -13.137 1.509 -11.892 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.342 0.142 -11.746 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.784 2.366 -11.011 1.00 0.00 C ATOM 781 CE1 TYR A 54 -14.166 -0.354 -10.755 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.608 1.878 -10.015 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.797 0.517 -9.892 1.00 0.00 C ATOM 784 OH TYR A 54 -15.617 0.027 -8.902 1.00 0.00 O ATOM 0 H TYR A 54 -11.148 -0.226 -13.026 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.161 2.491 -13.330 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.408 3.119 -13.086 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.506 1.585 -13.928 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.849 -0.544 -12.419 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.641 3.432 -11.106 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.316 -1.419 -10.656 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -15.101 2.558 -9.337 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.982 0.772 -8.381 1.00 0.00 H new ATOM 794 N ALA A 55 -9.314 1.533 -10.779 1.00 0.00 N ATOM 795 CA ALA A 55 -8.894 1.721 -9.396 1.00 0.00 C ATOM 796 C ALA A 55 -8.088 3.006 -9.237 1.00 0.00 C ATOM 797 O ALA A 55 -6.902 3.051 -9.565 1.00 0.00 O ATOM 798 CB ALA A 55 -8.081 0.525 -8.924 1.00 0.00 C ATOM 0 H ALA A 55 -8.686 0.953 -11.336 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.789 1.805 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.774 0.679 -7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.689 -0.377 -8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.197 0.415 -9.552 1.00 0.00 H new ATOM 804 N ARG A 56 -8.740 4.049 -8.732 1.00 0.00 N ATOM 805 CA ARG A 56 -8.084 5.336 -8.532 1.00 0.00 C ATOM 806 C ARG A 56 -7.249 5.327 -7.255 1.00 0.00 C ATOM 807 O ARG A 56 -7.296 6.269 -6.464 1.00 0.00 O ATOM 808 CB ARG A 56 -9.122 6.457 -8.468 1.00 0.00 C ATOM 809 CG ARG A 56 -9.476 7.038 -9.827 1.00 0.00 C ATOM 810 CD ARG A 56 -10.785 7.811 -9.779 1.00 0.00 C ATOM 811 NE ARG A 56 -10.920 8.728 -10.907 1.00 0.00 N ATOM 812 CZ ARG A 56 -12.062 9.319 -11.241 1.00 0.00 C ATOM 813 NH1 ARG A 56 -13.162 9.090 -10.536 1.00 0.00 N ATOM 814 NH2 ARG A 56 -12.106 10.141 -12.282 1.00 0.00 N ATOM 0 H ARG A 56 -9.721 4.028 -8.454 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.420 5.513 -9.378 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.028 6.075 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.744 7.255 -7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.675 7.697 -10.162 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.554 6.234 -10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.620 7.110 -9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.840 8.373 -8.846 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.092 8.926 -11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.132 8.459 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.037 9.545 -10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.262 10.320 -12.827 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.983 10.594 -12.537 1.00 0.00 H new ATOM 828 N SER A 57 -6.486 4.256 -7.059 1.00 0.00 N ATOM 829 CA SER A 57 -5.644 4.123 -5.876 1.00 0.00 C ATOM 830 C SER A 57 -4.522 5.157 -5.889 1.00 0.00 C ATOM 831 O SER A 57 -4.008 5.521 -6.947 1.00 0.00 O ATOM 832 CB SER A 57 -5.054 2.713 -5.801 1.00 0.00 C ATOM 833 OG SER A 57 -4.335 2.398 -6.980 1.00 0.00 O ATOM 0 H SER A 57 -6.434 3.468 -7.704 1.00 0.00 H new ATOM 0 HA SER A 57 -6.264 4.297 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.393 2.637 -4.937 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.854 1.988 -5.655 1.00 0.00 H new ATOM 0 HG SER A 57 -3.967 1.493 -6.907 1.00 0.00 H new ATOM 839 N THR A 58 -4.146 5.627 -4.703 1.00 0.00 N ATOM 840 CA THR A 58 -3.087 6.619 -4.576 1.00 0.00 C ATOM 841 C THR A 58 -2.173 6.300 -3.398 1.00 0.00 C ATOM 842 O THR A 58 -2.588 6.372 -2.241 1.00 0.00 O ATOM 843 CB THR A 58 -3.663 8.036 -4.395 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.680 8.026 -3.387 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.242 8.556 -5.702 1.00 0.00 C ATOM 0 H THR A 58 -4.560 5.336 -3.817 1.00 0.00 H new ATOM 0 HA THR A 58 -2.510 6.585 -5.500 1.00 0.00 H new ATOM 0 HB THR A 58 -2.853 8.697 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.353 7.547 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.643 9.558 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.459 8.590 -6.459 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.040 7.893 -6.036 1.00 0.00 H new ATOM 853 N CYS A 59 -0.928 5.949 -3.700 1.00 0.00 N ATOM 854 CA CYS A 59 0.045 5.618 -2.665 1.00 0.00 C ATOM 855 C CYS A 59 1.052 6.750 -2.484 1.00 0.00 C ATOM 856 O CYS A 59 1.923 6.958 -3.327 1.00 0.00 O ATOM 857 CB CYS A 59 0.776 4.321 -3.018 1.00 0.00 C ATOM 858 SG CYS A 59 1.465 3.451 -1.591 1.00 0.00 S ATOM 0 H CYS A 59 -0.569 5.886 -4.653 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.492 5.480 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.085 3.656 -3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.582 4.549 -3.715 1.00 0.00 H new ATOM 0 HG CYS A 59 2.393 2.632 -1.989 1.00 0.00 H new ATOM 864 N GLU A 60 0.923 7.478 -1.379 1.00 0.00 N ATOM 865 CA GLU A 60 1.820 8.590 -1.089 1.00 0.00 C ATOM 866 C GLU A 60 2.524 8.387 0.249 1.00 0.00 C ATOM 867 O GLU A 60 1.904 7.985 1.234 1.00 0.00 O ATOM 868 CB GLU A 60 1.045 9.910 -1.075 1.00 0.00 C ATOM 869 CG GLU A 60 -0.152 9.902 -0.140 1.00 0.00 C ATOM 870 CD GLU A 60 0.215 10.285 1.281 1.00 0.00 C ATOM 871 OE1 GLU A 60 1.249 10.962 1.464 1.00 0.00 O ATOM 872 OE2 GLU A 60 -0.530 9.907 2.209 1.00 0.00 O ATOM 0 H GLU A 60 0.207 7.318 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 60 2.575 8.628 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.719 10.715 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.704 10.132 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.906 10.594 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.602 8.909 -0.140 1.00 0.00 H new ATOM 879 N ALA A 61 3.822 8.668 0.277 1.00 0.00 N ATOM 880 CA ALA A 61 4.611 8.518 1.494 1.00 0.00 C ATOM 881 C ALA A 61 4.407 7.139 2.113 1.00 0.00 C ATOM 882 O ALA A 61 4.407 6.991 3.335 1.00 0.00 O ATOM 883 CB ALA A 61 4.251 9.606 2.494 1.00 0.00 C ATOM 0 H ALA A 61 4.350 9.001 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 61 5.664 8.617 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.848 9.482 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.454 10.584 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.193 9.534 2.745 1.00 0.00 H new ATOM 889 N GLY A 62 4.233 6.133 1.262 1.00 0.00 N ATOM 890 CA GLY A 62 4.029 4.780 1.746 1.00 0.00 C ATOM 891 C GLY A 62 2.638 4.568 2.309 1.00 0.00 C ATOM 892 O GLY A 62 2.448 3.777 3.232 1.00 0.00 O ATOM 0 H GLY A 62 4.230 6.230 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.198 4.077 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.767 4.558 2.517 1.00 0.00 H new ATOM 896 N VAL A 63 1.662 5.279 1.753 1.00 0.00 N ATOM 897 CA VAL A 63 0.280 5.166 2.206 1.00 0.00 C ATOM 898 C VAL A 63 -0.652 4.831 1.048 1.00 0.00 C ATOM 899 O VAL A 63 -1.156 5.722 0.365 1.00 0.00 O ATOM 900 CB VAL A 63 -0.199 6.468 2.876 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.655 6.346 3.298 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.684 6.809 4.067 1.00 0.00 C ATOM 0 H VAL A 63 1.802 5.939 0.988 1.00 0.00 H new ATOM 0 HA VAL A 63 0.251 4.358 2.937 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.123 7.279 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.976 7.275 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.273 6.151 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.761 5.524 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.332 7.731 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.641 5.999 4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.713 6.941 3.731 1.00 0.00 H new ATOM 912 N ALA A 64 -0.878 3.539 0.832 1.00 0.00 N ATOM 913 CA ALA A 64 -1.752 3.085 -0.242 1.00 0.00 C ATOM 914 C ALA A 64 -3.220 3.234 0.144 1.00 0.00 C ATOM 915 O ALA A 64 -3.642 2.769 1.203 1.00 0.00 O ATOM 916 CB ALA A 64 -1.443 1.638 -0.599 1.00 0.00 C ATOM 0 H ALA A 64 -0.467 2.788 1.387 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.567 3.711 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.104 1.312 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.406 1.557 -0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.597 1.006 0.276 1.00 0.00 H new ATOM 922 N GLU A 65 -3.992 3.885 -0.720 1.00 0.00 N ATOM 923 CA GLU A 65 -5.412 4.096 -0.467 1.00 0.00 C ATOM 924 C GLU A 65 -6.228 3.887 -1.739 1.00 0.00 C ATOM 925 O GLU A 65 -5.769 4.189 -2.841 1.00 0.00 O ATOM 926 CB GLU A 65 -5.652 5.504 0.081 1.00 0.00 C ATOM 927 CG GLU A 65 -4.622 5.940 1.110 1.00 0.00 C ATOM 928 CD GLU A 65 -5.125 7.062 1.998 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.280 6.975 2.466 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.364 8.026 2.226 1.00 0.00 O ATOM 0 H GLU A 65 -3.658 4.275 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.735 3.366 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.648 6.213 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.644 5.545 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.348 5.086 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.717 6.265 0.597 1.00 0.00 H new ATOM 937 N LEU A 66 -7.441 3.368 -1.578 1.00 0.00 N ATOM 938 CA LEU A 66 -8.323 3.118 -2.713 1.00 0.00 C ATOM 939 C LEU A 66 -9.664 3.819 -2.525 1.00 0.00 C ATOM 940 O LEU A 66 -10.535 3.332 -1.803 1.00 0.00 O ATOM 941 CB LEU A 66 -8.540 1.615 -2.893 1.00 0.00 C ATOM 942 CG LEU A 66 -9.436 1.202 -4.062 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.644 1.180 -5.360 1.00 0.00 C ATOM 944 CD2 LEU A 66 -10.065 -0.158 -3.796 1.00 0.00 C ATOM 0 H LEU A 66 -7.836 3.112 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.847 3.520 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.567 1.140 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.970 1.217 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.235 1.937 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.298 0.884 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.241 2.173 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.824 0.467 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.699 -0.436 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.280 -0.904 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.667 -0.109 -2.889 1.00 0.00 H new ATOM 956 N HIS A 67 -9.825 4.964 -3.181 1.00 0.00 N ATOM 957 CA HIS A 67 -11.063 5.731 -3.088 1.00 0.00 C ATOM 958 C HIS A 67 -12.173 5.070 -3.900 1.00 0.00 C ATOM 959 O HIS A 67 -12.076 4.951 -5.121 1.00 0.00 O ATOM 960 CB HIS A 67 -10.839 7.161 -3.579 1.00 0.00 C ATOM 961 CG HIS A 67 -10.081 8.015 -2.610 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.693 8.760 -1.624 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.752 8.239 -2.478 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.774 9.406 -0.928 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.588 9.106 -1.426 1.00 0.00 N ATOM 0 H HIS A 67 -9.114 5.381 -3.782 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.368 5.757 -2.042 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.298 7.131 -4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.806 7.623 -3.779 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.967 7.815 -3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.961 10.067 -0.094 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.695 9.461 -1.084 1.00 0.00 H new ATOM 974 N ILE A 68 -13.226 4.641 -3.212 1.00 0.00 N ATOM 975 CA ILE A 68 -14.354 3.993 -3.870 1.00 0.00 C ATOM 976 C ILE A 68 -15.648 4.763 -3.627 1.00 0.00 C ATOM 977 O ILE A 68 -16.306 4.582 -2.603 1.00 0.00 O ATOM 978 CB ILE A 68 -14.533 2.543 -3.381 1.00 0.00 C ATOM 979 CG1 ILE A 68 -13.274 1.725 -3.673 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.749 1.909 -4.041 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.946 1.625 -5.146 1.00 0.00 C ATOM 0 H ILE A 68 -13.321 4.730 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.134 3.984 -4.938 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.694 2.555 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.429 2.174 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.401 0.721 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.863 0.885 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.641 2.482 -3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.615 1.905 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.042 1.031 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.773 1.148 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.786 2.624 -5.552 1.00 0.00 H new ATOM 993 N GLN A 69 -16.008 5.620 -4.577 1.00 0.00 N ATOM 994 CA GLN A 69 -17.224 6.416 -4.466 1.00 0.00 C ATOM 995 C GLN A 69 -18.433 5.637 -4.973 1.00 0.00 C ATOM 996 O GLN A 69 -18.300 4.738 -5.804 1.00 0.00 O ATOM 997 CB GLN A 69 -17.078 7.721 -5.251 1.00 0.00 C ATOM 998 CG GLN A 69 -17.018 7.522 -6.757 1.00 0.00 C ATOM 999 CD GLN A 69 -16.587 8.774 -7.495 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -15.467 9.256 -7.322 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -17.476 9.309 -8.324 1.00 0.00 N ATOM 0 H GLN A 69 -15.475 5.781 -5.432 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.380 6.649 -3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.917 8.375 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.173 8.232 -4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.324 6.713 -6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.999 7.212 -7.118 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.393 8.876 -8.437 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.242 10.152 -8.848 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.610 5.987 -4.468 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.844 5.321 -4.870 1.00 0.00 C ATOM 1012 C ASP A 70 -20.760 3.820 -4.609 1.00 0.00 C ATOM 1013 O ASP A 70 -21.138 3.011 -5.456 1.00 0.00 O ATOM 1014 CB ASP A 70 -21.128 5.578 -6.351 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.967 6.822 -6.571 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.757 7.172 -5.669 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -21.835 7.444 -7.646 1.00 0.00 O ATOM 0 H ASP A 70 -19.736 6.728 -3.779 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.660 5.731 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.184 5.680 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.643 4.716 -6.774 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.263 3.456 -3.432 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.131 2.053 -3.060 1.00 0.00 C ATOM 1024 C ALA A 71 -21.392 1.271 -3.410 1.00 0.00 C ATOM 1025 O ALA A 71 -22.407 1.368 -2.719 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.825 1.928 -1.574 1.00 0.00 C ATOM 0 H ALA A 71 -19.945 4.113 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.303 1.628 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.729 0.875 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.892 2.445 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.635 2.375 -0.997 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.322 0.496 -4.486 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.460 -0.303 -4.929 1.00 0.00 C ATOM 1034 C LEU A 72 -22.475 -1.661 -4.234 1.00 0.00 C ATOM 1035 O LEU A 72 -21.444 -2.175 -3.799 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.414 -0.494 -6.446 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.735 0.741 -7.288 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.384 0.498 -8.748 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.203 1.116 -7.146 1.00 0.00 C ATOM 0 H LEU A 72 -20.490 0.403 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.373 0.230 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.419 -0.846 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.115 -1.284 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.131 1.572 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.619 1.388 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.320 0.278 -8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.961 -0.346 -9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.414 1.997 -7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.825 0.287 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.424 1.333 -6.101 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.671 -2.258 -4.128 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.849 -3.566 -3.489 1.00 0.00 C ATOM 1053 C PRO A 73 -23.246 -4.700 -4.312 1.00 0.00 C ATOM 1054 O PRO A 73 -23.212 -5.848 -3.871 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.370 -3.716 -3.406 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.896 -2.860 -4.506 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.942 -1.704 -4.623 1.00 0.00 C ATOM 0 HA PRO A 73 -23.348 -3.619 -2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.673 -4.755 -3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.747 -3.391 -2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.951 -3.417 -5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.905 -2.513 -4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.855 -1.358 -5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.268 -0.852 -4.026 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.772 -4.369 -5.509 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.171 -5.361 -6.392 1.00 0.00 C ATOM 1067 C GLU A 74 -20.650 -5.350 -6.267 1.00 0.00 C ATOM 1068 O GLU A 74 -19.968 -6.243 -6.773 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.576 -5.096 -7.844 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.262 -3.686 -8.316 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.358 -3.540 -9.822 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.478 -3.318 -10.327 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -21.312 -3.648 -10.496 1.00 0.00 O ATOM 0 H GLU A 74 -22.793 -3.423 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.536 -6.344 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.065 -5.809 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.645 -5.277 -7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.951 -2.987 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.258 -3.413 -7.992 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.125 -4.335 -5.591 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.685 -4.207 -5.399 1.00 0.00 C ATOM 1082 C ASP A 75 -18.218 -5.051 -4.217 1.00 0.00 C ATOM 1083 O ASP A 75 -17.046 -5.420 -4.129 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.306 -2.742 -5.176 1.00 0.00 C ATOM 1085 CG ASP A 75 -18.119 -1.988 -6.478 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -19.079 -1.933 -7.275 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -17.012 -1.455 -6.701 1.00 0.00 O ATOM 0 H ASP A 75 -20.675 -3.588 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.190 -4.569 -6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -19.082 -2.255 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.385 -2.692 -4.595 1.00 0.00 H new ATOM 1092 N HIS A 76 -19.141 -5.352 -3.309 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.824 -6.152 -2.132 1.00 0.00 C ATOM 1094 C HIS A 76 -17.926 -7.329 -2.501 1.00 0.00 C ATOM 1095 O HIS A 76 -18.288 -8.163 -3.330 1.00 0.00 O ATOM 1096 CB HIS A 76 -20.107 -6.661 -1.474 1.00 0.00 C ATOM 1097 CG HIS A 76 -19.927 -7.945 -0.724 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.422 -9.152 -1.170 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -19.301 -8.206 0.447 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.109 -10.100 -0.305 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -19.428 -9.552 0.686 1.00 0.00 N ATOM 0 H HIS A 76 -20.115 -5.054 -3.366 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.290 -5.517 -1.425 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -20.481 -5.900 -0.790 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.868 -6.802 -2.242 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.795 -7.489 1.077 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -20.366 -11.145 -0.393 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -19.057 -10.048 1.496 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.752 -7.390 -1.880 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.821 -8.468 -2.157 1.00 0.00 C ATOM 1112 C GLY A 77 -14.617 -8.446 -1.236 1.00 0.00 C ATOM 1113 O GLY A 77 -14.721 -8.049 -0.075 1.00 0.00 O ATOM 0 H GLY A 77 -16.429 -6.712 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.335 -9.423 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.485 -8.397 -3.191 1.00 0.00 H new ATOM 1117 N THR A 78 -13.470 -8.874 -1.753 1.00 0.00 N ATOM 1118 CA THR A 78 -12.242 -8.905 -0.969 1.00 0.00 C ATOM 1119 C THR A 78 -11.105 -8.200 -1.701 1.00 0.00 C ATOM 1120 O THR A 78 -10.554 -8.727 -2.667 1.00 0.00 O ATOM 1121 CB THR A 78 -11.814 -10.350 -0.651 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.970 -11.176 -0.475 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.956 -10.396 0.604 1.00 0.00 C ATOM 0 H THR A 78 -13.366 -9.204 -2.712 1.00 0.00 H new ATOM 0 HA THR A 78 -12.450 -8.382 -0.036 1.00 0.00 H new ATOM 0 HB THR A 78 -11.225 -10.724 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.274 -11.503 -1.347 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.666 -11.427 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.062 -9.790 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.524 -10.005 1.448 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.758 -7.006 -1.233 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.687 -6.227 -1.845 1.00 0.00 C ATOM 1133 C TYR A 79 -8.320 -6.754 -1.420 1.00 0.00 C ATOM 1134 O TYR A 79 -8.009 -6.822 -0.230 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.819 -4.752 -1.463 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.054 -4.088 -2.028 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -11.115 -3.712 -3.365 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -12.160 -3.835 -1.226 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -12.241 -3.105 -3.885 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -13.291 -3.230 -1.739 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.326 -2.866 -3.069 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.450 -2.261 -3.583 1.00 0.00 O ATOM 0 H TYR A 79 -11.202 -6.556 -0.432 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.773 -6.324 -2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.836 -4.667 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.937 -4.215 -1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.267 -3.898 -4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.135 -4.116 -0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.271 -2.819 -4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.143 -3.043 -1.102 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.198 -2.379 -2.961 1.00 0.00 H new ATOM 1152 N THR A 80 -7.505 -7.127 -2.402 1.00 0.00 N ATOM 1153 CA THR A 80 -6.171 -7.648 -2.132 1.00 0.00 C ATOM 1154 C THR A 80 -5.098 -6.628 -2.495 1.00 0.00 C ATOM 1155 O THR A 80 -4.945 -6.263 -3.661 1.00 0.00 O ATOM 1156 CB THR A 80 -5.909 -8.951 -2.911 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.870 -9.946 -2.540 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.505 -9.470 -2.642 1.00 0.00 C ATOM 0 H THR A 80 -7.746 -7.078 -3.392 1.00 0.00 H new ATOM 0 HA THR A 80 -6.123 -7.856 -1.063 1.00 0.00 H new ATOM 0 HB THR A 80 -6.002 -8.736 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.697 -10.770 -3.041 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.344 -10.391 -3.203 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.775 -8.723 -2.953 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.389 -9.669 -1.577 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.359 -6.172 -1.491 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.299 -5.193 -1.705 1.00 0.00 C ATOM 1168 C CYS A 81 -1.929 -5.862 -1.689 1.00 0.00 C ATOM 1169 O CYS A 81 -1.391 -6.175 -0.626 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.360 -4.103 -0.634 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.401 -2.622 -1.032 1.00 0.00 S ATOM 0 H CYS A 81 -4.474 -6.464 -0.520 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.450 -4.739 -2.685 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.401 -3.818 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.999 -4.514 0.309 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.210 -1.646 -1.320 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.369 -6.081 -2.874 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.061 -6.715 -2.997 1.00 0.00 C ATOM 1179 C LEU A 82 1.047 -5.670 -3.067 1.00 0.00 C ATOM 1180 O LEU A 82 1.009 -4.766 -3.901 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.019 -7.604 -4.241 1.00 0.00 C ATOM 1182 CG LEU A 82 1.367 -7.869 -4.830 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.284 -8.480 -3.783 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.265 -8.776 -6.048 1.00 0.00 C ATOM 0 H LEU A 82 -1.800 -5.829 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 82 0.102 -7.330 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.476 -8.562 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.638 -7.145 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 82 1.794 -6.917 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.266 -8.662 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.383 -7.794 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.862 -9.423 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.261 -8.954 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.817 -9.726 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.644 -8.299 -6.806 1.00 0.00 H new ATOM 1196 N ALA A 83 2.034 -5.801 -2.187 1.00 0.00 N ATOM 1197 CA ALA A 83 3.155 -4.870 -2.152 1.00 0.00 C ATOM 1198 C ALA A 83 4.485 -5.614 -2.103 1.00 0.00 C ATOM 1199 O ALA A 83 4.888 -6.115 -1.054 1.00 0.00 O ATOM 1200 CB ALA A 83 3.027 -3.935 -0.959 1.00 0.00 C ATOM 0 H ALA A 83 2.080 -6.543 -1.489 1.00 0.00 H new ATOM 0 HA ALA A 83 3.133 -4.279 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.871 -3.245 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.098 -3.370 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.020 -4.519 -0.038 1.00 0.00 H new ATOM 1206 N GLU A 84 5.162 -5.683 -3.246 1.00 0.00 N ATOM 1207 CA GLU A 84 6.446 -6.368 -3.332 1.00 0.00 C ATOM 1208 C GLU A 84 7.471 -5.512 -4.071 1.00 0.00 C ATOM 1209 O GLU A 84 7.116 -4.693 -4.917 1.00 0.00 O ATOM 1210 CB GLU A 84 6.284 -7.714 -4.041 1.00 0.00 C ATOM 1211 CG GLU A 84 5.833 -7.591 -5.487 1.00 0.00 C ATOM 1212 CD GLU A 84 5.540 -8.936 -6.123 1.00 0.00 C ATOM 1213 OE1 GLU A 84 6.477 -9.548 -6.675 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.372 -9.375 -6.068 1.00 0.00 O ATOM 0 H GLU A 84 4.842 -5.273 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 84 6.806 -6.540 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.234 -8.248 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.560 -8.318 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.939 -6.969 -5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.606 -7.082 -6.063 1.00 0.00 H new ATOM 1221 N ASN A 85 8.744 -5.708 -3.742 1.00 0.00 N ATOM 1222 CA ASN A 85 9.821 -4.953 -4.373 1.00 0.00 C ATOM 1223 C ASN A 85 10.996 -5.864 -4.713 1.00 0.00 C ATOM 1224 O ASN A 85 10.929 -7.079 -4.525 1.00 0.00 O ATOM 1225 CB ASN A 85 10.286 -3.823 -3.453 1.00 0.00 C ATOM 1226 CG ASN A 85 11.054 -4.336 -2.250 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.404 -5.514 -2.180 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.320 -3.451 -1.297 1.00 0.00 N ATOM 0 H ASN A 85 9.055 -6.383 -3.043 1.00 0.00 H new ATOM 0 HA ASN A 85 9.437 -4.524 -5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.916 -3.135 -4.017 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.420 -3.255 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.834 -3.738 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.010 -2.484 -1.398 1.00 0.00 H new ATOM 1235 N ALA A 86 12.073 -5.269 -5.215 1.00 0.00 N ATOM 1236 CA ALA A 86 13.265 -6.026 -5.579 1.00 0.00 C ATOM 1237 C ALA A 86 13.850 -6.745 -4.368 1.00 0.00 C ATOM 1238 O ALA A 86 14.581 -7.726 -4.509 1.00 0.00 O ATOM 1239 CB ALA A 86 14.304 -5.106 -6.202 1.00 0.00 C ATOM 0 H ALA A 86 12.145 -4.265 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 86 12.977 -6.780 -6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.189 -5.684 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.890 -4.643 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.579 -4.331 -5.487 1.00 0.00 H new ATOM 1245 N LEU A 87 13.524 -6.251 -3.179 1.00 0.00 N ATOM 1246 CA LEU A 87 14.018 -6.846 -1.942 1.00 0.00 C ATOM 1247 C LEU A 87 13.158 -8.036 -1.529 1.00 0.00 C ATOM 1248 O LEU A 87 13.561 -9.188 -1.678 1.00 0.00 O ATOM 1249 CB LEU A 87 14.038 -5.803 -0.823 1.00 0.00 C ATOM 1250 CG LEU A 87 15.330 -4.999 -0.678 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.293 -5.702 0.266 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.977 -4.779 -2.037 1.00 0.00 C ATOM 0 H LEU A 87 12.920 -5.440 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 87 15.034 -7.199 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.217 -5.106 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.841 -6.309 0.122 1.00 0.00 H new ATOM 0 HG LEU A 87 15.084 -4.026 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.207 -5.115 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.830 -5.806 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.534 -6.689 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.895 -4.205 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 87 16.209 -5.743 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.290 -4.231 -2.682 1.00 0.00 H new ATOM 1264 N GLY A 88 11.968 -7.748 -1.009 1.00 0.00 N ATOM 1265 CA GLY A 88 11.068 -8.804 -0.584 1.00 0.00 C ATOM 1266 C GLY A 88 9.702 -8.698 -1.233 1.00 0.00 C ATOM 1267 O GLY A 88 9.545 -8.034 -2.257 1.00 0.00 O ATOM 0 H GLY A 88 11.612 -6.802 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.508 -9.771 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.956 -8.767 0.500 1.00 0.00 H new ATOM 1271 N GLN A 89 8.713 -9.354 -0.635 1.00 0.00 N ATOM 1272 CA GLN A 89 7.354 -9.331 -1.163 1.00 0.00 C ATOM 1273 C GLN A 89 6.343 -9.693 -0.079 1.00 0.00 C ATOM 1274 O GLN A 89 6.549 -10.634 0.688 1.00 0.00 O ATOM 1275 CB GLN A 89 7.225 -10.299 -2.340 1.00 0.00 C ATOM 1276 CG GLN A 89 7.461 -11.753 -1.962 1.00 0.00 C ATOM 1277 CD GLN A 89 6.916 -12.720 -2.994 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.613 -13.637 -3.431 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.664 -12.522 -3.390 1.00 0.00 N ATOM 0 H GLN A 89 8.827 -9.907 0.214 1.00 0.00 H new ATOM 0 HA GLN A 89 7.143 -8.319 -1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.229 -10.202 -2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.937 -10.013 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.531 -11.923 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.993 -11.954 -0.998 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.122 -11.750 -3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.244 -13.142 -4.082 1.00 0.00 H new ATOM 1288 N VAL A 90 5.250 -8.939 -0.021 1.00 0.00 N ATOM 1289 CA VAL A 90 4.206 -9.180 0.968 1.00 0.00 C ATOM 1290 C VAL A 90 2.829 -8.846 0.406 1.00 0.00 C ATOM 1291 O VAL A 90 2.691 -7.972 -0.450 1.00 0.00 O ATOM 1292 CB VAL A 90 4.442 -8.353 2.245 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.838 -8.604 2.794 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.227 -6.873 1.968 1.00 0.00 C ATOM 0 H VAL A 90 5.064 -8.156 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 90 4.245 -10.240 1.218 1.00 0.00 H new ATOM 0 HB VAL A 90 3.720 -8.667 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.986 -8.011 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.950 -9.662 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.579 -8.320 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.398 -6.303 2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.924 -6.542 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.205 -6.712 1.626 1.00 0.00 H new ATOM 1304 N SER A 91 1.811 -9.548 0.894 1.00 0.00 N ATOM 1305 CA SER A 91 0.443 -9.328 0.438 1.00 0.00 C ATOM 1306 C SER A 91 -0.552 -9.577 1.568 1.00 0.00 C ATOM 1307 O SER A 91 -0.361 -10.470 2.393 1.00 0.00 O ATOM 1308 CB SER A 91 0.125 -10.241 -0.747 1.00 0.00 C ATOM 1309 OG SER A 91 -0.188 -11.553 -0.311 1.00 0.00 O ATOM 0 H SER A 91 1.907 -10.273 1.605 1.00 0.00 H new ATOM 0 HA SER A 91 0.354 -8.289 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.714 -9.832 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.978 -10.273 -1.424 1.00 0.00 H new ATOM 0 HG SER A 91 -0.389 -12.116 -1.087 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.615 -8.780 1.597 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.641 -8.912 2.625 1.00 0.00 C ATOM 1317 C CYS A 92 -4.034 -8.925 2.004 1.00 0.00 C ATOM 1318 O CYS A 92 -4.195 -8.674 0.810 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.531 -7.768 3.635 1.00 0.00 C ATOM 1320 SG CYS A 92 -1.210 -7.982 4.851 1.00 0.00 S ATOM 0 H CYS A 92 -1.788 -8.036 0.921 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.484 -9.859 3.141 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -2.366 -6.836 3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -3.481 -7.668 4.160 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.207 -7.215 4.542 1.00 0.00 H new ATOM 1326 N SER A 93 -5.038 -9.223 2.823 1.00 0.00 N ATOM 1327 CA SER A 93 -6.418 -9.275 2.353 1.00 0.00 C ATOM 1328 C SER A 93 -7.321 -8.404 3.221 1.00 0.00 C ATOM 1329 O SER A 93 -7.027 -8.159 4.391 1.00 0.00 O ATOM 1330 CB SER A 93 -6.925 -10.718 2.356 1.00 0.00 C ATOM 1331 OG SER A 93 -6.744 -11.320 3.626 1.00 0.00 O ATOM 0 H SER A 93 -4.922 -9.432 3.815 1.00 0.00 H new ATOM 0 HA SER A 93 -6.444 -8.890 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.982 -10.736 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.395 -11.295 1.598 1.00 0.00 H new ATOM 0 HG SER A 93 -7.078 -12.241 3.602 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.421 -7.939 2.639 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.369 -7.097 3.358 1.00 0.00 C ATOM 1339 C ALA A 94 -10.805 -7.429 2.967 1.00 0.00 C ATOM 1340 O ALA A 94 -11.104 -7.649 1.793 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.075 -5.628 3.096 1.00 0.00 C ATOM 0 H ALA A 94 -8.678 -8.131 1.671 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.256 -7.294 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.791 -5.011 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.065 -5.393 3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.158 -5.425 2.028 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.689 -7.465 3.958 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.095 -7.772 3.716 1.00 0.00 C ATOM 1349 C TRP A 95 -13.954 -6.518 3.839 1.00 0.00 C ATOM 1350 O TRP A 95 -14.008 -5.892 4.898 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.582 -8.838 4.699 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.024 -9.201 4.515 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.094 -8.672 5.178 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.553 -10.175 3.608 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.256 -9.258 4.739 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.952 -10.183 3.775 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.982 -11.040 2.671 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.784 -11.023 3.040 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.809 -11.873 1.942 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.198 -11.859 2.129 1.00 0.00 C ATOM 0 H TRP A 95 -11.458 -7.286 4.935 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.188 -8.156 2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.972 -9.734 4.584 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.432 -8.479 5.717 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.035 -7.905 5.936 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.194 -9.040 5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.913 -11.057 2.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.854 -11.015 3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.378 -12.546 1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.818 -12.521 1.543 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.626 -6.157 2.751 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.484 -4.979 2.738 1.00 0.00 C ATOM 1373 C VAL A 96 -16.915 -5.345 2.362 1.00 0.00 C ATOM 1374 O VAL A 96 -17.155 -6.000 1.347 1.00 0.00 O ATOM 1375 CB VAL A 96 -14.963 -3.915 1.753 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.957 -2.771 1.627 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.601 -3.402 2.196 1.00 0.00 C ATOM 0 H VAL A 96 -14.593 -6.664 1.867 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.470 -4.567 3.747 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.851 -4.377 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.572 -2.030 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.909 -3.155 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.104 -2.307 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.247 -2.651 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.685 -2.956 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.893 -4.230 2.229 1.00 0.00 H new ATOM 1387 N THR A 97 -17.866 -4.918 3.187 1.00 0.00 N ATOM 1388 CA THR A 97 -19.275 -5.202 2.943 1.00 0.00 C ATOM 1389 C THR A 97 -20.055 -3.920 2.675 1.00 0.00 C ATOM 1390 O THR A 97 -19.831 -2.898 3.324 1.00 0.00 O ATOM 1391 CB THR A 97 -19.914 -5.940 4.134 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.166 -7.122 4.437 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.357 -6.311 3.828 1.00 0.00 C ATOM 0 H THR A 97 -17.686 -4.374 4.031 1.00 0.00 H new ATOM 0 HA THR A 97 -19.321 -5.843 2.062 1.00 0.00 H new ATOM 0 HB THR A 97 -19.901 -5.273 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.578 -7.584 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.788 -6.831 4.683 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.931 -5.406 3.627 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.388 -6.962 2.954 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.973 -3.981 1.716 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.789 -2.825 1.364 1.00 0.00 C ATOM 1403 C VAL A 98 -23.247 -3.041 1.754 1.00 0.00 C ATOM 1404 O VAL A 98 -23.820 -4.099 1.493 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.712 -2.522 -0.144 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.583 -1.325 -0.494 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.270 -2.283 -0.566 1.00 0.00 C ATOM 0 H VAL A 98 -21.170 -4.819 1.169 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.390 -1.976 1.919 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.088 -3.387 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.516 -1.126 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.619 -1.539 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.240 -0.451 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.234 -2.070 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.865 -1.435 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.676 -3.172 -0.353 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.842 -2.032 2.381 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.235 -2.111 2.806 1.00 0.00 C ATOM 1419 C HIS A 99 -26.130 -1.278 1.894 1.00 0.00 C ATOM 1420 O HIS A 99 -27.335 -1.167 2.123 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.377 -1.634 4.252 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.290 -2.130 5.155 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.063 -3.469 5.395 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.364 -1.458 5.878 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.045 -3.599 6.227 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -22.603 -2.394 6.535 1.00 0.00 N ATOM 0 H HIS A 99 -23.382 -1.150 2.606 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.550 -3.153 2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.382 -0.544 4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.340 -1.963 4.642 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -24.598 -4.239 4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.245 -0.386 5.929 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -22.643 -4.532 6.593 1.00 0.00 H new