USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 46 GLN : amide:sc= -7.91! C(o=-7.2!,f=-12!) USER MOD Set 1.2: A 76 TYR OH : rot -115:sc= 0.676 USER MOD Single : A 9 SER OG : rot -150:sc= -0.906 USER MOD Single : A 19 THR OG1 : rot -77:sc= 0.758 USER MOD Single : A 26 HIS : no HE2:sc= -6.79! C(o=-6.8!,f=-8.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 90:sc= -1.32 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00793 USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00603 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -52:sc= -2.45! USER MOD Single : A 92 SER OG : rot 180:sc= -3.65! USER MOD Single : A 93 ASN : amide:sc= -0.593 K(o=-0.59,f=-6.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -5.52! C(o=-5.5!,f=-8.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 4.829 16.772 -5.040 1.00 0.00 N ATOM 67 CA LEU A 8 4.193 15.857 -4.108 1.00 0.00 C ATOM 68 C LEU A 8 5.167 14.728 -3.765 1.00 0.00 C ATOM 69 O LEU A 8 5.548 13.946 -4.635 1.00 0.00 O ATOM 70 CB LEU A 8 2.856 15.367 -4.666 1.00 0.00 C ATOM 71 CG LEU A 8 2.163 14.258 -3.871 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.718 14.764 -2.498 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.001 13.658 -4.666 1.00 0.00 C ATOM 0 HA LEU A 8 3.954 16.368 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.178 16.218 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.018 15.011 -5.683 1.00 0.00 H new ATOM 0 HG LEU A 8 2.883 13.458 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.229 13.956 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.588 15.105 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.020 15.592 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.526 12.872 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.272 14.437 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.377 13.237 -5.598 1.00 0.00 H new ATOM 85 N SER A 9 5.541 14.677 -2.495 1.00 0.00 N ATOM 86 CA SER A 9 6.463 13.657 -2.026 1.00 0.00 C ATOM 87 C SER A 9 5.719 12.336 -1.817 1.00 0.00 C ATOM 88 O SER A 9 4.526 12.332 -1.517 1.00 0.00 O ATOM 89 CB SER A 9 7.150 14.089 -0.729 1.00 0.00 C ATOM 90 OG SER A 9 8.290 14.909 -0.977 1.00 0.00 O ATOM 0 H SER A 9 5.222 15.326 -1.776 1.00 0.00 H new ATOM 0 HA SER A 9 7.233 13.518 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.440 14.633 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.454 13.205 -0.168 1.00 0.00 H new ATOM 0 HG SER A 9 8.947 14.780 -0.262 1.00 0.00 H new ATOM 96 N PRO A 10 6.474 11.218 -1.988 1.00 0.00 N ATOM 97 CA PRO A 10 5.900 9.894 -1.821 1.00 0.00 C ATOM 98 C PRO A 10 5.691 9.569 -0.341 1.00 0.00 C ATOM 99 O PRO A 10 6.153 10.304 0.531 1.00 0.00 O ATOM 100 CB PRO A 10 6.877 8.952 -2.504 1.00 0.00 C ATOM 101 CG PRO A 10 8.184 9.720 -2.620 1.00 0.00 C ATOM 102 CD PRO A 10 7.890 11.185 -2.343 1.00 0.00 C ATOM 0 HA PRO A 10 4.908 9.807 -2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.010 8.039 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.510 8.654 -3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.916 9.337 -1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.611 9.598 -3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.511 11.567 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.093 11.802 -3.218 1.00 0.00 H new ATOM 110 N PRO A 11 4.977 8.438 -0.096 1.00 0.00 N ATOM 111 CA PRO A 11 4.702 8.006 1.264 1.00 0.00 C ATOM 112 C PRO A 11 5.950 7.400 1.910 1.00 0.00 C ATOM 113 O PRO A 11 6.985 7.264 1.261 1.00 0.00 O ATOM 114 CB PRO A 11 3.557 7.014 1.138 1.00 0.00 C ATOM 115 CG PRO A 11 3.543 6.577 -0.318 1.00 0.00 C ATOM 116 CD PRO A 11 4.415 7.543 -1.103 1.00 0.00 C ATOM 0 HA PRO A 11 4.426 8.832 1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.704 6.161 1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.609 7.474 1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.919 5.559 -0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.525 6.579 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.199 7.016 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.831 8.094 -1.840 1.00 0.00 H new ATOM 124 N ARG A 12 5.810 7.053 3.181 1.00 0.00 N ATOM 125 CA ARG A 12 6.912 6.465 3.922 1.00 0.00 C ATOM 126 C ARG A 12 6.381 5.544 5.023 1.00 0.00 C ATOM 127 O ARG A 12 5.175 5.325 5.125 1.00 0.00 O ATOM 128 CB ARG A 12 7.792 7.547 4.552 1.00 0.00 C ATOM 129 CG ARG A 12 7.484 8.921 3.954 1.00 0.00 C ATOM 130 CD ARG A 12 8.069 10.039 4.819 1.00 0.00 C ATOM 131 NE ARG A 12 7.031 11.056 5.100 1.00 0.00 N ATOM 132 CZ ARG A 12 7.038 11.859 6.173 1.00 0.00 C ATOM 133 NH1 ARG A 12 8.027 11.768 7.072 1.00 0.00 N ATOM 134 NH2 ARG A 12 6.055 12.753 6.348 1.00 0.00 N ATOM 0 H ARG A 12 4.949 7.168 3.716 1.00 0.00 H new ATOM 0 HA ARG A 12 7.513 5.888 3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.630 7.571 5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.843 7.304 4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.895 8.983 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.405 9.050 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.448 9.626 5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.914 10.501 4.308 1.00 0.00 H new ATOM 0 HE ARG A 12 6.263 11.152 4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.775 11.087 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.032 12.379 7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.301 12.822 5.664 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.061 13.364 7.165 1.00 0.00 H new ATOM 148 N GLY A 13 7.308 5.030 5.818 1.00 0.00 N ATOM 149 CA GLY A 13 6.948 4.138 6.907 1.00 0.00 C ATOM 150 C GLY A 13 5.887 3.129 6.462 1.00 0.00 C ATOM 151 O GLY A 13 4.905 2.904 7.168 1.00 0.00 O ATOM 0 H GLY A 13 8.307 5.214 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.834 3.609 7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.572 4.719 7.749 1.00 0.00 H new ATOM 155 N LEU A 14 6.120 2.549 5.294 1.00 0.00 N ATOM 156 CA LEU A 14 5.197 1.570 4.747 1.00 0.00 C ATOM 157 C LEU A 14 5.568 0.180 5.266 1.00 0.00 C ATOM 158 O LEU A 14 6.711 -0.254 5.127 1.00 0.00 O ATOM 159 CB LEU A 14 5.157 1.666 3.220 1.00 0.00 C ATOM 160 CG LEU A 14 3.769 1.597 2.580 1.00 0.00 C ATOM 161 CD1 LEU A 14 3.860 1.143 1.122 1.00 0.00 C ATOM 162 CD2 LEU A 14 2.831 0.708 3.399 1.00 0.00 C ATOM 0 H LEU A 14 6.935 2.739 4.711 1.00 0.00 H new ATOM 0 HA LEU A 14 4.181 1.775 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.626 2.604 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.765 0.860 2.809 1.00 0.00 H new ATOM 0 HG LEU A 14 3.343 2.600 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.860 1.102 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.470 1.849 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.315 0.154 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.851 0.676 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.241 -0.301 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.732 1.114 4.406 1.00 0.00 H new ATOM 174 N VAL A 15 4.581 -0.481 5.853 1.00 0.00 N ATOM 175 CA VAL A 15 4.789 -1.813 6.393 1.00 0.00 C ATOM 176 C VAL A 15 3.486 -2.609 6.293 1.00 0.00 C ATOM 177 O VAL A 15 2.430 -2.045 6.010 1.00 0.00 O ATOM 178 CB VAL A 15 5.324 -1.720 7.823 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.818 -1.389 7.829 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.533 -0.696 8.639 1.00 0.00 C ATOM 0 H VAL A 15 3.634 -0.118 5.966 1.00 0.00 H new ATOM 0 HA VAL A 15 5.541 -2.347 5.813 1.00 0.00 H new ATOM 0 HB VAL A 15 5.195 -2.695 8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.173 -1.329 8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.366 -2.170 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.981 -0.432 7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.934 -0.650 9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.616 0.285 8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.485 -0.992 8.677 1.00 0.00 H new ATOM 190 N ALA A 16 3.603 -3.907 6.530 1.00 0.00 N ATOM 191 CA ALA A 16 2.448 -4.786 6.470 1.00 0.00 C ATOM 192 C ALA A 16 2.447 -5.704 7.695 1.00 0.00 C ATOM 193 O ALA A 16 3.501 -5.996 8.257 1.00 0.00 O ATOM 194 CB ALA A 16 2.469 -5.568 5.156 1.00 0.00 C ATOM 0 H ALA A 16 4.480 -4.371 6.764 1.00 0.00 H new ATOM 0 HA ALA A 16 1.524 -4.208 6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.602 -6.227 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.439 -4.872 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.381 -6.163 5.101 1.00 0.00 H new ATOM 200 N VAL A 17 1.251 -6.134 8.071 1.00 0.00 N ATOM 201 CA VAL A 17 1.099 -7.013 9.218 1.00 0.00 C ATOM 202 C VAL A 17 -0.091 -7.945 8.986 1.00 0.00 C ATOM 203 O VAL A 17 -1.242 -7.515 9.047 1.00 0.00 O ATOM 204 CB VAL A 17 0.969 -6.184 10.498 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.000 -5.018 10.300 1.00 0.00 C ATOM 206 CG2 VAL A 17 0.540 -7.060 11.677 1.00 0.00 C ATOM 0 H VAL A 17 0.379 -5.890 7.602 1.00 0.00 H new ATOM 0 HA VAL A 17 1.983 -7.639 9.340 1.00 0.00 H new ATOM 0 HB VAL A 17 1.950 -5.768 10.729 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.074 -4.445 11.225 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.366 -4.372 9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.984 -5.404 10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.455 -6.447 12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.425 -7.518 11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.284 -7.840 11.840 1.00 0.00 H new ATOM 216 N ARG A 18 0.226 -9.205 8.726 1.00 0.00 N ATOM 217 CA ARG A 18 -0.803 -10.202 8.484 1.00 0.00 C ATOM 218 C ARG A 18 -1.572 -10.494 9.775 1.00 0.00 C ATOM 219 O ARG A 18 -0.972 -10.658 10.836 1.00 0.00 O ATOM 220 CB ARG A 18 -0.196 -11.503 7.955 1.00 0.00 C ATOM 221 CG ARG A 18 -1.140 -12.183 6.962 1.00 0.00 C ATOM 222 CD ARG A 18 -1.393 -13.640 7.356 1.00 0.00 C ATOM 223 NE ARG A 18 -1.958 -14.384 6.208 1.00 0.00 N ATOM 224 CZ ARG A 18 -3.203 -14.214 5.742 1.00 0.00 C ATOM 225 NH1 ARG A 18 -4.020 -13.325 6.323 1.00 0.00 N ATOM 226 NH2 ARG A 18 -3.631 -14.933 4.695 1.00 0.00 N ATOM 0 H ARG A 18 1.182 -9.558 8.678 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.484 -9.801 7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.758 -11.293 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.010 -12.177 8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.086 -11.643 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.711 -12.142 5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.461 -14.105 7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.080 -13.683 8.201 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.363 -15.069 5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.694 -12.778 7.120 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.968 -13.195 5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.009 -15.610 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.579 -14.803 4.341 1.00 0.00 H new ATOM 240 N THR A 19 -2.889 -10.549 9.641 1.00 0.00 N ATOM 241 CA THR A 19 -3.746 -10.818 10.783 1.00 0.00 C ATOM 242 C THR A 19 -4.872 -11.777 10.390 1.00 0.00 C ATOM 243 O THR A 19 -4.881 -12.309 9.281 1.00 0.00 O ATOM 244 CB THR A 19 -4.249 -9.478 11.323 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.451 -9.240 10.594 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.340 -8.311 10.933 1.00 0.00 C ATOM 0 H THR A 19 -3.383 -10.412 8.759 1.00 0.00 H new ATOM 0 HA THR A 19 -3.197 -11.320 11.580 1.00 0.00 H new ATOM 0 HB THR A 19 -4.327 -9.530 12.409 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.230 -8.925 9.693 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.743 -7.384 11.341 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.340 -8.479 11.333 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.289 -8.237 9.847 1.00 0.00 H new ATOM 254 N PRO A 20 -5.820 -11.973 11.346 1.00 0.00 N ATOM 255 CA PRO A 20 -6.948 -12.857 11.111 1.00 0.00 C ATOM 256 C PRO A 20 -7.972 -12.205 10.180 1.00 0.00 C ATOM 257 O PRO A 20 -8.655 -12.893 9.423 1.00 0.00 O ATOM 258 CB PRO A 20 -7.507 -13.157 12.492 1.00 0.00 C ATOM 259 CG PRO A 20 -6.967 -12.069 13.405 1.00 0.00 C ATOM 260 CD PRO A 20 -5.842 -11.359 12.670 1.00 0.00 C ATOM 0 HA PRO A 20 -6.662 -13.778 10.603 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.597 -13.153 12.482 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.195 -14.144 12.834 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.756 -11.364 13.667 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.602 -12.500 14.337 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.025 -10.286 12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.889 -11.490 13.183 1.00 0.00 H new ATOM 268 N ARG A 21 -8.047 -10.885 10.267 1.00 0.00 N ATOM 269 CA ARG A 21 -8.976 -10.132 9.442 1.00 0.00 C ATOM 270 C ARG A 21 -8.299 -9.698 8.141 1.00 0.00 C ATOM 271 O ARG A 21 -8.941 -9.121 7.265 1.00 0.00 O ATOM 272 CB ARG A 21 -9.489 -8.894 10.180 1.00 0.00 C ATOM 273 CG ARG A 21 -10.066 -9.269 11.546 1.00 0.00 C ATOM 274 CD ARG A 21 -11.240 -8.360 11.915 1.00 0.00 C ATOM 275 NE ARG A 21 -11.572 -8.518 13.348 1.00 0.00 N ATOM 276 CZ ARG A 21 -12.423 -7.725 14.014 1.00 0.00 C ATOM 277 NH1 ARG A 21 -13.032 -6.714 13.380 1.00 0.00 N ATOM 278 NH2 ARG A 21 -12.664 -7.943 15.314 1.00 0.00 N ATOM 0 H ARG A 21 -7.479 -10.318 10.896 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.821 -10.782 9.216 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.676 -8.180 10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.254 -8.401 9.581 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.396 -10.308 11.532 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.289 -9.192 12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.986 -7.321 11.705 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.108 -8.606 11.303 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.125 -9.278 13.861 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.848 -6.548 12.391 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.680 -6.111 13.887 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.200 -8.712 15.797 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.312 -7.340 15.821 1.00 0.00 H new ATOM 292 N GLY A 22 -7.009 -9.992 8.055 1.00 0.00 N ATOM 293 CA GLY A 22 -6.238 -9.639 6.876 1.00 0.00 C ATOM 294 C GLY A 22 -4.894 -9.019 7.264 1.00 0.00 C ATOM 295 O GLY A 22 -4.491 -9.081 8.425 1.00 0.00 O ATOM 0 H GLY A 22 -6.479 -10.471 8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.070 -10.528 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.804 -8.936 6.264 1.00 0.00 H new ATOM 299 N VAL A 23 -4.239 -8.436 6.272 1.00 0.00 N ATOM 300 CA VAL A 23 -2.949 -7.805 6.495 1.00 0.00 C ATOM 301 C VAL A 23 -3.126 -6.286 6.519 1.00 0.00 C ATOM 302 O VAL A 23 -3.581 -5.695 5.541 1.00 0.00 O ATOM 303 CB VAL A 23 -1.947 -8.274 5.438 1.00 0.00 C ATOM 304 CG1 VAL A 23 -2.430 -9.555 4.755 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.678 -7.173 4.411 1.00 0.00 C ATOM 0 H VAL A 23 -4.577 -8.387 5.311 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.542 -8.100 7.462 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.007 -8.498 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.700 -9.867 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.547 -10.343 5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.388 -9.370 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.963 -7.532 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.610 -6.904 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.270 -6.297 4.915 1.00 0.00 H new ATOM 315 N LEU A 24 -2.756 -5.697 7.647 1.00 0.00 N ATOM 316 CA LEU A 24 -2.869 -4.257 7.811 1.00 0.00 C ATOM 317 C LEU A 24 -1.574 -3.592 7.338 1.00 0.00 C ATOM 318 O LEU A 24 -0.483 -4.005 7.726 1.00 0.00 O ATOM 319 CB LEU A 24 -3.248 -3.910 9.251 1.00 0.00 C ATOM 320 CG LEU A 24 -4.347 -2.859 9.421 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.601 -2.564 10.901 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.018 -1.590 8.632 1.00 0.00 C ATOM 0 H LEU A 24 -2.378 -6.190 8.456 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.675 -3.864 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.566 -4.824 9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.354 -3.559 9.766 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.272 -3.263 9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.386 -1.814 10.993 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.912 -3.479 11.406 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.686 -2.189 11.360 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.815 -0.859 8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.077 -1.173 8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.928 -1.833 7.573 1.00 0.00 H new ATOM 334 N LEU A 25 -1.739 -2.573 6.508 1.00 0.00 N ATOM 335 CA LEU A 25 -0.597 -1.847 5.979 1.00 0.00 C ATOM 336 C LEU A 25 -0.519 -0.472 6.646 1.00 0.00 C ATOM 337 O LEU A 25 -1.498 0.272 6.659 1.00 0.00 O ATOM 338 CB LEU A 25 -0.662 -1.786 4.451 1.00 0.00 C ATOM 339 CG LEU A 25 -0.820 -3.127 3.732 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.500 -2.945 2.374 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.526 -3.844 3.608 1.00 0.00 C ATOM 0 H LEU A 25 -2.646 -2.233 6.189 1.00 0.00 H new ATOM 0 HA LEU A 25 0.330 -2.370 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.496 -1.144 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.247 -1.306 4.087 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.469 -3.763 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.600 -3.914 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.488 -2.507 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.897 -2.284 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.386 -4.795 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.218 -3.222 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.934 -4.026 4.602 1.00 0.00 H new ATOM 353 N HIS A 26 0.655 -0.177 7.184 1.00 0.00 N ATOM 354 CA HIS A 26 0.874 1.095 7.851 1.00 0.00 C ATOM 355 C HIS A 26 1.890 1.921 7.060 1.00 0.00 C ATOM 356 O HIS A 26 3.013 1.475 6.829 1.00 0.00 O ATOM 357 CB HIS A 26 1.290 0.880 9.308 1.00 0.00 C ATOM 358 CG HIS A 26 0.745 -0.388 9.921 1.00 0.00 C ATOM 359 ND1 HIS A 26 1.385 -1.059 10.948 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.386 -1.098 9.643 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.664 -2.124 11.265 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.433 -2.147 10.454 1.00 0.00 N ATOM 0 H HIS A 26 1.465 -0.797 7.172 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.058 1.660 7.880 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.378 0.861 9.365 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.955 1.731 9.900 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.263 -0.781 11.386 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.119 -0.849 8.890 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.903 -2.847 12.031 1.00 0.00 H new ATOM 370 N TRP A 27 1.460 3.111 6.668 1.00 0.00 N ATOM 371 CA TRP A 27 2.318 4.004 5.908 1.00 0.00 C ATOM 372 C TRP A 27 2.311 5.369 6.599 1.00 0.00 C ATOM 373 O TRP A 27 1.611 5.562 7.591 1.00 0.00 O ATOM 374 CB TRP A 27 1.879 4.073 4.444 1.00 0.00 C ATOM 375 CG TRP A 27 0.489 4.679 4.239 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.157 5.975 4.163 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.751 3.955 4.086 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.200 6.139 3.973 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.769 4.872 3.925 1.00 0.00 C ATOM 380 CE3 TRP A 27 -1.002 2.572 4.083 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.109 4.506 3.749 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.347 2.223 3.907 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.384 3.133 3.744 1.00 0.00 C ATOM 0 H TRP A 27 0.528 3.478 6.862 1.00 0.00 H new ATOM 0 HA TRP A 27 3.341 3.630 5.887 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.607 4.661 3.885 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.891 3.067 4.024 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.863 6.789 4.241 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.694 7.027 3.884 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.220 1.837 4.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.888 5.243 3.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.596 1.172 3.897 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.397 2.783 3.614 1.00 0.00 H new ATOM 394 N ASP A 28 3.098 6.281 6.046 1.00 0.00 N ATOM 395 CA ASP A 28 3.190 7.622 6.597 1.00 0.00 C ATOM 396 C ASP A 28 2.805 8.639 5.521 1.00 0.00 C ATOM 397 O ASP A 28 3.002 8.394 4.332 1.00 0.00 O ATOM 398 CB ASP A 28 4.618 7.933 7.052 1.00 0.00 C ATOM 399 CG ASP A 28 4.840 7.885 8.565 1.00 0.00 C ATOM 400 OD1 ASP A 28 4.932 6.753 9.089 1.00 0.00 O ATOM 401 OD2 ASP A 28 4.912 8.980 9.163 1.00 0.00 O ATOM 0 H ASP A 28 3.677 6.117 5.223 1.00 0.00 H new ATOM 0 HA ASP A 28 2.517 7.682 7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.297 7.224 6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.890 8.925 6.691 1.00 0.00 H new ATOM 406 N PRO A 29 2.248 9.788 5.989 1.00 0.00 N ATOM 407 CA PRO A 29 1.833 10.843 5.079 1.00 0.00 C ATOM 408 C PRO A 29 3.043 11.608 4.539 1.00 0.00 C ATOM 409 O PRO A 29 4.062 11.724 5.218 1.00 0.00 O ATOM 410 CB PRO A 29 0.893 11.716 5.893 1.00 0.00 C ATOM 411 CG PRO A 29 1.178 11.390 7.351 1.00 0.00 C ATOM 412 CD PRO A 29 2.000 10.113 7.390 1.00 0.00 C ATOM 0 HA PRO A 29 1.330 10.460 4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.066 12.773 5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.147 11.509 5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.720 12.208 7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.247 11.262 7.903 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.933 10.260 7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.461 9.310 7.893 1.00 0.00 H new ATOM 420 N PRO A 30 2.886 12.123 3.290 1.00 0.00 N ATOM 421 CA PRO A 30 3.953 12.874 2.651 1.00 0.00 C ATOM 422 C PRO A 30 4.073 14.276 3.252 1.00 0.00 C ATOM 423 O PRO A 30 3.200 15.118 3.051 1.00 0.00 O ATOM 424 CB PRO A 30 3.593 12.890 1.174 1.00 0.00 C ATOM 425 CG PRO A 30 2.113 12.553 1.103 1.00 0.00 C ATOM 426 CD PRO A 30 1.693 12.005 2.457 1.00 0.00 C ATOM 0 HA PRO A 30 4.934 12.424 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.793 13.867 0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.186 12.163 0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.531 13.440 0.853 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.926 11.819 0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.861 12.573 2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.364 10.969 2.380 1.00 0.00 H new ATOM 434 N GLU A 31 5.162 14.483 3.977 1.00 0.00 N ATOM 435 CA GLU A 31 5.408 15.768 4.609 1.00 0.00 C ATOM 436 C GLU A 31 5.452 16.877 3.555 1.00 0.00 C ATOM 437 O GLU A 31 5.272 18.051 3.877 1.00 0.00 O ATOM 438 CB GLU A 31 6.700 15.739 5.428 1.00 0.00 C ATOM 439 CG GLU A 31 6.955 17.090 6.099 1.00 0.00 C ATOM 440 CD GLU A 31 7.043 16.939 7.619 1.00 0.00 C ATOM 441 OE1 GLU A 31 6.088 16.369 8.189 1.00 0.00 O ATOM 442 OE2 GLU A 31 8.063 17.398 8.176 1.00 0.00 O ATOM 0 H GLU A 31 5.885 13.782 4.141 1.00 0.00 H new ATOM 0 HA GLU A 31 4.587 15.977 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.636 14.959 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.540 15.486 4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.881 17.520 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.154 17.784 5.845 1.00 0.00 H new ATOM 449 N LEU A 32 5.693 16.466 2.319 1.00 0.00 N ATOM 450 CA LEU A 32 5.763 17.410 1.217 1.00 0.00 C ATOM 451 C LEU A 32 4.526 17.246 0.331 1.00 0.00 C ATOM 452 O LEU A 32 4.399 16.255 -0.385 1.00 0.00 O ATOM 453 CB LEU A 32 7.085 17.256 0.462 1.00 0.00 C ATOM 454 CG LEU A 32 8.221 18.181 0.902 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.381 18.136 -0.093 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.712 19.606 1.126 1.00 0.00 C ATOM 0 H LEU A 32 5.842 15.492 2.056 1.00 0.00 H new ATOM 0 HA LEU A 32 5.754 18.434 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.422 16.225 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.897 17.424 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 32 8.603 17.822 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.175 18.803 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.765 17.118 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.031 18.455 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.540 20.243 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.288 19.991 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.946 19.601 1.901 1.00 0.00 H new ATOM 468 N VAL A 33 3.646 18.234 0.410 1.00 0.00 N ATOM 469 CA VAL A 33 2.424 18.211 -0.376 1.00 0.00 C ATOM 470 C VAL A 33 2.272 19.543 -1.113 1.00 0.00 C ATOM 471 O VAL A 33 2.599 20.597 -0.571 1.00 0.00 O ATOM 472 CB VAL A 33 1.230 17.885 0.524 1.00 0.00 C ATOM 473 CG1 VAL A 33 0.091 17.258 -0.283 1.00 0.00 C ATOM 474 CG2 VAL A 33 1.647 16.977 1.681 1.00 0.00 C ATOM 0 H VAL A 33 3.755 19.055 1.006 1.00 0.00 H new ATOM 0 HA VAL A 33 2.469 17.426 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 33 0.865 18.820 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.745 17.036 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.234 17.955 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.440 16.336 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.780 16.761 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.050 16.045 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.409 17.477 2.279 1.00 0.00 H new ATOM 484 N PRO A 34 1.761 19.450 -2.370 1.00 0.00 N ATOM 485 CA PRO A 34 1.562 20.635 -3.187 1.00 0.00 C ATOM 486 C PRO A 34 0.342 21.428 -2.713 1.00 0.00 C ATOM 487 O PRO A 34 0.150 22.575 -3.113 1.00 0.00 O ATOM 488 CB PRO A 34 1.417 20.113 -4.607 1.00 0.00 C ATOM 489 CG PRO A 34 1.076 18.638 -4.477 1.00 0.00 C ATOM 490 CD PRO A 34 1.362 18.218 -3.044 1.00 0.00 C ATOM 0 HA PRO A 34 2.392 21.339 -3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.633 20.649 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.340 20.252 -5.170 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.028 18.465 -4.724 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.669 18.046 -5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.481 17.778 -2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.153 17.469 -3.001 1.00 0.00 H new ATOM 498 N LYS A 35 -0.451 20.785 -1.868 1.00 0.00 N ATOM 499 CA LYS A 35 -1.646 21.416 -1.336 1.00 0.00 C ATOM 500 C LYS A 35 -2.456 20.383 -0.550 1.00 0.00 C ATOM 501 O LYS A 35 -2.254 20.215 0.652 1.00 0.00 O ATOM 502 CB LYS A 35 -2.438 22.094 -2.456 1.00 0.00 C ATOM 503 CG LYS A 35 -2.141 23.594 -2.507 1.00 0.00 C ATOM 504 CD LYS A 35 -3.364 24.409 -2.081 1.00 0.00 C ATOM 505 CE LYS A 35 -2.993 25.435 -1.008 1.00 0.00 C ATOM 506 NZ LYS A 35 -3.730 25.162 0.246 1.00 0.00 N ATOM 0 H LYS A 35 -0.289 19.833 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.379 22.210 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.186 21.637 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.505 21.936 -2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.300 23.824 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.845 23.876 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.785 24.920 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.136 23.741 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.920 25.402 -0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.224 26.440 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.467 25.867 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.753 25.216 0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.489 24.211 0.590 1.00 0.00 H new ATOM 520 N ARG A 36 -3.355 19.717 -1.260 1.00 0.00 N ATOM 521 CA ARG A 36 -4.196 18.705 -0.643 1.00 0.00 C ATOM 522 C ARG A 36 -3.992 17.354 -1.331 1.00 0.00 C ATOM 523 O ARG A 36 -3.772 17.296 -2.540 1.00 0.00 O ATOM 524 CB ARG A 36 -5.674 19.093 -0.724 1.00 0.00 C ATOM 525 CG ARG A 36 -6.157 19.113 -2.176 1.00 0.00 C ATOM 526 CD ARG A 36 -7.434 19.943 -2.318 1.00 0.00 C ATOM 527 NE ARG A 36 -7.236 21.007 -3.327 1.00 0.00 N ATOM 528 CZ ARG A 36 -8.025 22.083 -3.449 1.00 0.00 C ATOM 529 NH1 ARG A 36 -9.069 22.245 -2.625 1.00 0.00 N ATOM 530 NH2 ARG A 36 -7.770 22.998 -4.395 1.00 0.00 N ATOM 0 H ARG A 36 -3.519 19.858 -2.257 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.909 18.629 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.271 18.386 -0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.821 20.075 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.378 19.526 -2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.342 18.094 -2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.264 19.301 -2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.699 20.386 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.450 20.916 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.263 21.549 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.670 23.064 -2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.975 22.875 -5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.371 23.817 -4.488 1.00 0.00 H new ATOM 544 N LEU A 37 -4.071 16.301 -0.532 1.00 0.00 N ATOM 545 CA LEU A 37 -3.898 14.954 -1.049 1.00 0.00 C ATOM 546 C LEU A 37 -5.223 14.463 -1.636 1.00 0.00 C ATOM 547 O LEU A 37 -6.273 14.603 -1.010 1.00 0.00 O ATOM 548 CB LEU A 37 -3.327 14.034 0.033 1.00 0.00 C ATOM 549 CG LEU A 37 -2.195 13.103 -0.408 1.00 0.00 C ATOM 550 CD1 LEU A 37 -0.933 13.344 0.422 1.00 0.00 C ATOM 551 CD2 LEU A 37 -2.640 11.640 -0.363 1.00 0.00 C ATOM 0 H LEU A 37 -4.253 16.353 0.470 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.168 14.948 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.963 14.653 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.139 13.424 0.429 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.948 13.333 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.144 12.670 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.606 14.376 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.148 13.158 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.817 11.000 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.930 11.379 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.490 11.497 -1.031 1.00 0.00 H new ATOM 563 N ASP A 38 -5.131 13.899 -2.831 1.00 0.00 N ATOM 564 CA ASP A 38 -6.309 13.387 -3.510 1.00 0.00 C ATOM 565 C ASP A 38 -6.520 11.922 -3.121 1.00 0.00 C ATOM 566 O ASP A 38 -7.655 11.459 -3.025 1.00 0.00 O ATOM 567 CB ASP A 38 -6.142 13.453 -5.029 1.00 0.00 C ATOM 568 CG ASP A 38 -6.996 14.513 -5.728 1.00 0.00 C ATOM 569 OD1 ASP A 38 -8.172 14.197 -6.012 1.00 0.00 O ATOM 570 OD2 ASP A 38 -6.455 15.615 -5.962 1.00 0.00 O ATOM 0 H ASP A 38 -4.258 13.785 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.161 13.999 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.093 13.645 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.385 12.477 -5.449 1.00 0.00 H new ATOM 575 N GLY A 39 -5.408 11.234 -2.908 1.00 0.00 N ATOM 576 CA GLY A 39 -5.457 9.831 -2.532 1.00 0.00 C ATOM 577 C GLY A 39 -4.171 9.109 -2.938 1.00 0.00 C ATOM 578 O GLY A 39 -3.340 9.668 -3.653 1.00 0.00 O ATOM 0 H GLY A 39 -4.468 11.622 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.602 9.744 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.313 9.353 -3.009 1.00 0.00 H new ATOM 582 N TYR A 40 -4.046 7.878 -2.464 1.00 0.00 N ATOM 583 CA TYR A 40 -2.874 7.074 -2.769 1.00 0.00 C ATOM 584 C TYR A 40 -3.241 5.888 -3.663 1.00 0.00 C ATOM 585 O TYR A 40 -4.411 5.685 -3.982 1.00 0.00 O ATOM 586 CB TYR A 40 -2.364 6.547 -1.426 1.00 0.00 C ATOM 587 CG TYR A 40 -1.947 7.644 -0.444 1.00 0.00 C ATOM 588 CD1 TYR A 40 -2.896 8.257 0.348 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.623 8.019 -0.351 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.504 9.289 1.272 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.230 9.052 0.573 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.190 9.636 1.339 1.00 0.00 C ATOM 593 OH TYR A 40 -0.820 10.611 2.212 1.00 0.00 O ATOM 0 H TYR A 40 -4.737 7.418 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.127 7.668 -3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.143 5.939 -0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.512 5.891 -1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.933 7.963 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.119 7.538 -0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.236 9.777 1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.803 9.356 0.655 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.597 10.208 3.077 1.00 0.00 H new ATOM 603 N VAL A 41 -2.218 5.136 -4.042 1.00 0.00 N ATOM 604 CA VAL A 41 -2.418 3.976 -4.894 1.00 0.00 C ATOM 605 C VAL A 41 -1.665 2.781 -4.305 1.00 0.00 C ATOM 606 O VAL A 41 -0.440 2.710 -4.394 1.00 0.00 O ATOM 607 CB VAL A 41 -1.997 4.301 -6.328 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.018 3.046 -7.203 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.880 5.399 -6.924 1.00 0.00 C ATOM 0 H VAL A 41 -1.249 5.307 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.474 3.708 -4.933 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.973 4.673 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.715 3.305 -8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.328 2.307 -6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.026 2.631 -7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.559 5.611 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.918 5.067 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.793 6.303 -6.321 1.00 0.00 H new ATOM 619 N LEU A 42 -2.429 1.872 -3.718 1.00 0.00 N ATOM 620 CA LEU A 42 -1.849 0.684 -3.115 1.00 0.00 C ATOM 621 C LEU A 42 -1.713 -0.408 -4.178 1.00 0.00 C ATOM 622 O LEU A 42 -2.708 -0.849 -4.751 1.00 0.00 O ATOM 623 CB LEU A 42 -2.660 0.253 -1.892 1.00 0.00 C ATOM 624 CG LEU A 42 -2.151 -0.985 -1.150 1.00 0.00 C ATOM 625 CD1 LEU A 42 -0.670 -0.839 -0.794 1.00 0.00 C ATOM 626 CD2 LEU A 42 -3.011 -1.280 0.080 1.00 0.00 C ATOM 0 H LEU A 42 -3.445 1.934 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.846 0.896 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.691 1.086 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.686 0.066 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.239 -1.843 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.333 -1.732 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.087 -0.714 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.534 0.033 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.627 -2.164 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.979 -0.428 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.041 -1.458 -0.230 1.00 0.00 H new ATOM 638 N GLU A 43 -0.473 -0.813 -4.410 1.00 0.00 N ATOM 639 CA GLU A 43 -0.194 -1.845 -5.395 1.00 0.00 C ATOM 640 C GLU A 43 0.525 -3.025 -4.738 1.00 0.00 C ATOM 641 O GLU A 43 1.539 -2.843 -4.067 1.00 0.00 O ATOM 642 CB GLU A 43 0.624 -1.284 -6.560 1.00 0.00 C ATOM 643 CG GLU A 43 -0.280 -0.921 -7.740 1.00 0.00 C ATOM 644 CD GLU A 43 0.345 0.188 -8.589 1.00 0.00 C ATOM 645 OE1 GLU A 43 1.351 -0.115 -9.266 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.196 1.313 -8.541 1.00 0.00 O ATOM 0 H GLU A 43 0.350 -0.445 -3.933 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.142 -2.201 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.172 -0.401 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.364 -2.019 -6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.451 -1.803 -8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.253 -0.597 -7.371 1.00 0.00 H new ATOM 653 N GLY A 44 -0.030 -4.209 -4.954 1.00 0.00 N ATOM 654 CA GLY A 44 0.546 -5.418 -4.391 1.00 0.00 C ATOM 655 C GLY A 44 0.831 -6.450 -5.484 1.00 0.00 C ATOM 656 O GLY A 44 0.535 -6.217 -6.655 1.00 0.00 O ATOM 0 H GLY A 44 -0.872 -4.356 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.470 -5.175 -3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.137 -5.842 -3.655 1.00 0.00 H new ATOM 660 N ARG A 45 1.402 -7.569 -5.063 1.00 0.00 N ATOM 661 CA ARG A 45 1.730 -8.637 -5.992 1.00 0.00 C ATOM 662 C ARG A 45 2.455 -9.770 -5.263 1.00 0.00 C ATOM 663 O ARG A 45 3.109 -9.541 -4.246 1.00 0.00 O ATOM 664 CB ARG A 45 2.615 -8.124 -7.131 1.00 0.00 C ATOM 665 CG ARG A 45 3.935 -7.569 -6.592 1.00 0.00 C ATOM 666 CD ARG A 45 4.984 -7.476 -7.702 1.00 0.00 C ATOM 667 NE ARG A 45 6.332 -7.318 -7.112 1.00 0.00 N ATOM 668 CZ ARG A 45 7.448 -7.124 -7.829 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.383 -7.064 -9.166 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.628 -6.991 -7.208 1.00 0.00 N ATOM 0 H ARG A 45 1.646 -7.759 -4.091 1.00 0.00 H new ATOM 0 HA ARG A 45 0.796 -9.010 -6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.816 -8.933 -7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.088 -7.346 -7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.769 -6.582 -6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.303 -8.210 -5.791 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.952 -8.373 -8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.762 -6.631 -8.354 1.00 0.00 H new ATOM 0 HE ARG A 45 6.417 -7.359 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.485 -7.166 -9.638 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.232 -6.916 -9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.677 -7.037 -6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.477 -6.843 -7.753 1.00 0.00 H new ATOM 684 N GLN A 46 2.315 -10.968 -5.811 1.00 0.00 N ATOM 685 CA GLN A 46 2.948 -12.138 -5.225 1.00 0.00 C ATOM 686 C GLN A 46 4.331 -12.357 -5.842 1.00 0.00 C ATOM 687 O GLN A 46 4.501 -12.231 -7.054 1.00 0.00 O ATOM 688 CB GLN A 46 2.070 -13.379 -5.393 1.00 0.00 C ATOM 689 CG GLN A 46 0.799 -13.270 -4.547 1.00 0.00 C ATOM 690 CD GLN A 46 -0.449 -13.517 -5.397 1.00 0.00 C ATOM 691 OE1 GLN A 46 -0.955 -12.637 -6.074 1.00 0.00 O ATOM 692 NE2 GLN A 46 -0.915 -14.761 -5.325 1.00 0.00 N ATOM 0 H GLN A 46 1.773 -11.154 -6.655 1.00 0.00 H new ATOM 0 HA GLN A 46 3.071 -11.963 -4.156 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.803 -13.501 -6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.630 -14.267 -5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.837 -13.993 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.744 -12.281 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.443 -15.449 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.744 -15.027 -5.856 1.00 0.00 H new ATOM 736 N GLY A 50 2.823 -9.766 -11.633 1.00 0.00 N ATOM 737 CA GLY A 50 2.437 -8.468 -12.160 1.00 0.00 C ATOM 738 C GLY A 50 1.825 -7.592 -11.065 1.00 0.00 C ATOM 739 O GLY A 50 0.924 -8.025 -10.349 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.309 -7.970 -12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.719 -8.599 -12.970 1.00 0.00 H new ATOM 743 N TRP A 51 2.340 -6.375 -10.968 1.00 0.00 N ATOM 744 CA TRP A 51 1.856 -5.434 -9.973 1.00 0.00 C ATOM 745 C TRP A 51 0.344 -5.288 -10.156 1.00 0.00 C ATOM 746 O TRP A 51 -0.125 -4.971 -11.248 1.00 0.00 O ATOM 747 CB TRP A 51 2.600 -4.101 -10.070 1.00 0.00 C ATOM 748 CG TRP A 51 3.939 -4.080 -9.329 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.171 -4.037 -9.854 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.131 -4.104 -7.899 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.140 -4.032 -8.871 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.487 -4.074 -7.644 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.190 -4.150 -6.855 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.025 -4.086 -6.352 1.00 0.00 C ATOM 755 CZ3 TRP A 51 3.744 -4.161 -5.569 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.106 -4.131 -5.296 1.00 0.00 C ATOM 0 H TRP A 51 3.088 -6.019 -11.563 1.00 0.00 H new ATOM 0 HA TRP A 51 2.052 -5.804 -8.966 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.774 -3.870 -11.121 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.963 -3.311 -9.671 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.380 -4.010 -10.913 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.149 -4.003 -9.018 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.125 -4.175 -7.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.091 -4.062 -6.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.065 -4.195 -4.730 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.455 -4.142 -4.274 1.00 0.00 H new ATOM 767 N GLU A 52 -0.378 -5.527 -9.070 1.00 0.00 N ATOM 768 CA GLU A 52 -1.827 -5.427 -9.097 1.00 0.00 C ATOM 769 C GLU A 52 -2.300 -4.315 -8.159 1.00 0.00 C ATOM 770 O GLU A 52 -1.953 -4.305 -6.979 1.00 0.00 O ATOM 771 CB GLU A 52 -2.476 -6.764 -8.734 1.00 0.00 C ATOM 772 CG GLU A 52 -2.904 -6.784 -7.265 1.00 0.00 C ATOM 773 CD GLU A 52 -3.401 -8.173 -6.858 1.00 0.00 C ATOM 774 OE1 GLU A 52 -3.209 -9.105 -7.669 1.00 0.00 O ATOM 775 OE2 GLU A 52 -3.962 -8.271 -5.745 1.00 0.00 O ATOM 0 H GLU A 52 0.014 -5.790 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.135 -5.175 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.343 -6.937 -9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.774 -7.576 -8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.064 -6.495 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.693 -6.049 -7.102 1.00 0.00 H new ATOM 782 N VAL A 53 -3.084 -3.406 -8.719 1.00 0.00 N ATOM 783 CA VAL A 53 -3.607 -2.292 -7.947 1.00 0.00 C ATOM 784 C VAL A 53 -4.649 -2.810 -6.953 1.00 0.00 C ATOM 785 O VAL A 53 -5.720 -3.266 -7.352 1.00 0.00 O ATOM 786 CB VAL A 53 -4.160 -1.218 -8.886 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.813 -0.082 -8.096 1.00 0.00 C ATOM 788 CG2 VAL A 53 -3.066 -0.684 -9.813 1.00 0.00 C ATOM 0 H VAL A 53 -3.370 -3.418 -9.698 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.811 -1.822 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.929 -1.679 -9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.198 0.668 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.633 -0.479 -7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.074 0.376 -7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.486 0.078 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.265 -0.248 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.667 -1.501 -10.414 1.00 0.00 H new ATOM 798 N LEU A 54 -4.299 -2.724 -5.678 1.00 0.00 N ATOM 799 CA LEU A 54 -5.190 -3.178 -4.625 1.00 0.00 C ATOM 800 C LEU A 54 -6.267 -2.120 -4.381 1.00 0.00 C ATOM 801 O LEU A 54 -7.458 -2.426 -4.395 1.00 0.00 O ATOM 802 CB LEU A 54 -4.394 -3.545 -3.371 1.00 0.00 C ATOM 803 CG LEU A 54 -3.406 -4.704 -3.519 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.718 -5.012 -2.187 1.00 0.00 C ATOM 805 CD2 LEU A 54 -4.093 -5.938 -4.107 1.00 0.00 C ATOM 0 H LEU A 54 -3.410 -2.346 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.703 -4.091 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.843 -2.663 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.099 -3.793 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.629 -4.402 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.021 -5.840 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.174 -4.131 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.468 -5.285 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.369 -6.747 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.903 -6.252 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.497 -5.696 -5.090 1.00 0.00 H new ATOM 817 N ASP A 55 -5.810 -0.895 -4.165 1.00 0.00 N ATOM 818 CA ASP A 55 -6.720 0.211 -3.919 1.00 0.00 C ATOM 819 C ASP A 55 -6.181 1.470 -4.601 1.00 0.00 C ATOM 820 O ASP A 55 -5.211 2.066 -4.135 1.00 0.00 O ATOM 821 CB ASP A 55 -6.843 0.500 -2.422 1.00 0.00 C ATOM 822 CG ASP A 55 -8.184 1.093 -1.986 1.00 0.00 C ATOM 823 OD1 ASP A 55 -8.755 1.858 -2.793 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.608 0.768 -0.856 1.00 0.00 O ATOM 0 H ASP A 55 -4.821 -0.644 -4.155 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.698 -0.062 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.677 -0.427 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.048 1.187 -2.133 1.00 0.00 H new ATOM 829 N PRO A 56 -6.851 1.847 -5.723 1.00 0.00 N ATOM 830 CA PRO A 56 -6.450 3.025 -6.474 1.00 0.00 C ATOM 831 C PRO A 56 -6.870 4.306 -5.750 1.00 0.00 C ATOM 832 O PRO A 56 -6.128 5.286 -5.735 1.00 0.00 O ATOM 833 CB PRO A 56 -7.110 2.867 -7.834 1.00 0.00 C ATOM 834 CG PRO A 56 -8.224 1.852 -7.642 1.00 0.00 C ATOM 835 CD PRO A 56 -8.004 1.165 -6.304 1.00 0.00 C ATOM 0 HA PRO A 56 -5.368 3.110 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.506 3.819 -8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.392 2.523 -8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.196 2.344 -7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.219 1.122 -8.451 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.881 1.255 -5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.811 0.100 -6.433 1.00 0.00 H new ATOM 843 N ALA A 57 -8.059 4.256 -5.168 1.00 0.00 N ATOM 844 CA ALA A 57 -8.587 5.400 -4.445 1.00 0.00 C ATOM 845 C ALA A 57 -8.485 5.139 -2.941 1.00 0.00 C ATOM 846 O ALA A 57 -9.257 4.356 -2.389 1.00 0.00 O ATOM 847 CB ALA A 57 -10.025 5.669 -4.893 1.00 0.00 C ATOM 0 H ALA A 57 -8.672 3.441 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.004 6.294 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.421 6.527 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.040 5.878 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.640 4.794 -4.686 1.00 0.00 H new ATOM 853 N VAL A 58 -7.525 5.809 -2.320 1.00 0.00 N ATOM 854 CA VAL A 58 -7.311 5.658 -0.891 1.00 0.00 C ATOM 855 C VAL A 58 -7.333 7.038 -0.229 1.00 0.00 C ATOM 856 O VAL A 58 -6.602 7.938 -0.638 1.00 0.00 O ATOM 857 CB VAL A 58 -6.012 4.892 -0.633 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.785 4.686 0.866 1.00 0.00 C ATOM 859 CG2 VAL A 58 -6.008 3.555 -1.377 1.00 0.00 C ATOM 0 H VAL A 58 -6.887 6.458 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.113 5.069 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.187 5.492 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.855 4.139 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.723 5.655 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.615 4.117 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.074 3.030 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.846 2.947 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.101 3.734 -2.448 1.00 0.00 H new ATOM 869 N ALA A 59 -8.180 7.160 0.783 1.00 0.00 N ATOM 870 CA ALA A 59 -8.306 8.414 1.506 1.00 0.00 C ATOM 871 C ALA A 59 -6.931 9.075 1.617 1.00 0.00 C ATOM 872 O ALA A 59 -5.967 8.443 2.047 1.00 0.00 O ATOM 873 CB ALA A 59 -8.940 8.153 2.874 1.00 0.00 C ATOM 0 H ALA A 59 -8.785 6.411 1.119 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.959 9.102 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.035 9.094 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.927 7.711 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.310 7.468 3.442 1.00 0.00 H new ATOM 879 N GLY A 60 -6.883 10.338 1.220 1.00 0.00 N ATOM 880 CA GLY A 60 -5.642 11.092 1.270 1.00 0.00 C ATOM 881 C GLY A 60 -5.233 11.380 2.716 1.00 0.00 C ATOM 882 O GLY A 60 -4.177 11.962 2.961 1.00 0.00 O ATOM 0 H GLY A 60 -7.684 10.858 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.852 10.532 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.760 12.030 0.728 1.00 0.00 H new ATOM 886 N THR A 61 -6.090 10.960 3.634 1.00 0.00 N ATOM 887 CA THR A 61 -5.831 11.166 5.049 1.00 0.00 C ATOM 888 C THR A 61 -5.497 9.837 5.730 1.00 0.00 C ATOM 889 O THR A 61 -4.865 9.817 6.784 1.00 0.00 O ATOM 890 CB THR A 61 -7.046 11.871 5.655 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.138 11.010 5.342 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.385 13.178 4.935 1.00 0.00 C ATOM 0 H THR A 61 -6.965 10.478 3.426 1.00 0.00 H new ATOM 0 HA THR A 61 -4.959 11.801 5.202 1.00 0.00 H new ATOM 0 HB THR A 61 -6.858 12.076 6.709 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.967 11.390 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.255 13.637 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.536 13.859 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.606 12.970 3.888 1.00 0.00 H new ATOM 900 N GLU A 62 -5.938 8.759 5.098 1.00 0.00 N ATOM 901 CA GLU A 62 -5.694 7.429 5.629 1.00 0.00 C ATOM 902 C GLU A 62 -4.191 7.186 5.783 1.00 0.00 C ATOM 903 O GLU A 62 -3.388 7.757 5.048 1.00 0.00 O ATOM 904 CB GLU A 62 -6.334 6.359 4.743 1.00 0.00 C ATOM 905 CG GLU A 62 -7.804 6.149 5.112 1.00 0.00 C ATOM 906 CD GLU A 62 -8.007 4.803 5.812 1.00 0.00 C ATOM 907 OE1 GLU A 62 -7.436 4.644 6.912 1.00 0.00 O ATOM 908 OE2 GLU A 62 -8.729 3.964 5.231 1.00 0.00 O ATOM 0 H GLU A 62 -6.463 8.780 4.224 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.156 7.362 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.257 6.654 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.791 5.420 4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.138 6.956 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.418 6.191 4.212 1.00 0.00 H new ATOM 915 N THR A 63 -3.857 6.337 6.745 1.00 0.00 N ATOM 916 CA THR A 63 -2.465 6.012 7.005 1.00 0.00 C ATOM 917 C THR A 63 -2.249 4.499 6.933 1.00 0.00 C ATOM 918 O THR A 63 -1.111 4.031 6.921 1.00 0.00 O ATOM 919 CB THR A 63 -2.083 6.617 8.357 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.315 6.681 9.070 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.643 8.078 8.241 1.00 0.00 C ATOM 0 H THR A 63 -4.526 5.865 7.353 1.00 0.00 H new ATOM 0 HA THR A 63 -1.810 6.439 6.245 1.00 0.00 H new ATOM 0 HB THR A 63 -1.280 6.030 8.803 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.159 7.060 9.960 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.383 8.459 9.229 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.775 8.146 7.586 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.458 8.671 7.826 1.00 0.00 H new ATOM 929 N GLU A 64 -3.358 3.776 6.888 1.00 0.00 N ATOM 930 CA GLU A 64 -3.305 2.326 6.818 1.00 0.00 C ATOM 931 C GLU A 64 -4.483 1.790 6.003 1.00 0.00 C ATOM 932 O GLU A 64 -5.385 2.543 5.640 1.00 0.00 O ATOM 933 CB GLU A 64 -3.281 1.710 8.219 1.00 0.00 C ATOM 934 CG GLU A 64 -2.268 2.425 9.115 1.00 0.00 C ATOM 935 CD GLU A 64 -2.913 3.614 9.831 1.00 0.00 C ATOM 936 OE1 GLU A 64 -4.161 3.627 9.898 1.00 0.00 O ATOM 937 OE2 GLU A 64 -2.143 4.483 10.295 1.00 0.00 O ATOM 0 H GLU A 64 -4.300 4.168 6.899 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.381 2.040 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.274 1.772 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.028 0.652 8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.870 1.726 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.426 2.770 8.515 1.00 0.00 H new ATOM 944 N LEU A 65 -4.437 0.492 5.739 1.00 0.00 N ATOM 945 CA LEU A 65 -5.490 -0.154 4.974 1.00 0.00 C ATOM 946 C LEU A 65 -5.391 -1.669 5.157 1.00 0.00 C ATOM 947 O LEU A 65 -4.315 -2.195 5.440 1.00 0.00 O ATOM 948 CB LEU A 65 -5.441 0.294 3.512 1.00 0.00 C ATOM 949 CG LEU A 65 -6.355 -0.463 2.547 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.791 0.059 2.629 1.00 0.00 C ATOM 951 CD2 LEU A 65 -5.808 -0.414 1.119 1.00 0.00 C ATOM 0 H LEU A 65 -3.687 -0.130 6.041 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.470 0.148 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.697 1.353 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.414 0.200 3.158 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.375 -1.511 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.420 -0.496 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.168 -0.072 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.809 1.117 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.477 -0.960 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.738 0.623 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.819 -0.870 1.093 1.00 0.00 H new ATOM 963 N LEU A 66 -6.527 -2.329 4.987 1.00 0.00 N ATOM 964 CA LEU A 66 -6.582 -3.774 5.130 1.00 0.00 C ATOM 965 C LEU A 66 -6.601 -4.419 3.743 1.00 0.00 C ATOM 966 O LEU A 66 -7.283 -3.937 2.839 1.00 0.00 O ATOM 967 CB LEU A 66 -7.763 -4.181 6.014 1.00 0.00 C ATOM 968 CG LEU A 66 -7.717 -5.601 6.583 1.00 0.00 C ATOM 969 CD1 LEU A 66 -7.005 -5.626 7.936 1.00 0.00 C ATOM 970 CD2 LEU A 66 -9.121 -6.205 6.662 1.00 0.00 C ATOM 0 H LEU A 66 -7.417 -1.890 4.751 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.691 -4.140 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.827 -3.480 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.680 -4.073 5.434 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.136 -6.224 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.986 -6.647 8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.984 -5.264 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.537 -4.985 8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.061 -7.214 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.746 -5.589 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.558 -6.242 5.664 1.00 0.00 H new ATOM 982 N VAL A 67 -5.845 -5.500 3.617 1.00 0.00 N ATOM 983 CA VAL A 67 -5.766 -6.215 2.355 1.00 0.00 C ATOM 984 C VAL A 67 -5.748 -7.721 2.628 1.00 0.00 C ATOM 985 O VAL A 67 -4.688 -8.344 2.618 1.00 0.00 O ATOM 986 CB VAL A 67 -4.551 -5.738 1.557 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.306 -6.634 0.342 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.712 -4.276 1.136 1.00 0.00 C ATOM 0 H VAL A 67 -5.282 -5.898 4.369 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.643 -6.005 1.742 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.677 -5.807 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.437 -6.272 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.126 -7.656 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.181 -6.613 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.835 -3.962 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.601 -4.172 0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.815 -3.651 2.023 1.00 0.00 H new ATOM 998 N PRO A 68 -6.966 -8.276 2.871 1.00 0.00 N ATOM 999 CA PRO A 68 -7.099 -9.696 3.146 1.00 0.00 C ATOM 1000 C PRO A 68 -6.942 -10.519 1.867 1.00 0.00 C ATOM 1001 O PRO A 68 -6.851 -11.745 1.920 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.471 -9.846 3.784 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.240 -8.586 3.420 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.242 -7.568 2.892 1.00 0.00 C ATOM 0 HA PRO A 68 -6.321 -10.070 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.980 -10.735 3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.389 -9.955 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.997 -8.805 2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.762 -8.192 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.519 -7.222 1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.196 -6.688 3.534 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.914 -9.813 0.746 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.769 -10.463 -0.545 1.00 0.00 C ATOM 1014 C GLY A 69 -5.341 -10.973 -0.745 1.00 0.00 C ATOM 1015 O GLY A 69 -4.701 -10.663 -1.749 1.00 0.00 O ATOM 0 H GLY A 69 -6.989 -8.797 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.470 -11.295 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.023 -9.762 -1.340 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.882 -11.748 0.228 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.540 -12.304 0.171 1.00 0.00 C ATOM 1021 C LEU A 70 -3.629 -13.828 0.069 1.00 0.00 C ATOM 1022 O LEU A 70 -4.648 -14.419 0.423 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.707 -11.814 1.357 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.421 -10.312 1.401 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -1.076 -10.030 2.075 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.501 -9.697 0.002 1.00 0.00 C ATOM 0 H LEU A 70 -5.415 -12.004 1.059 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.019 -11.954 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.221 -12.093 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.755 -12.345 1.351 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.192 -9.835 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.897 -8.955 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.093 -10.413 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.279 -10.521 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.294 -8.629 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.767 -10.173 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.500 -9.850 -0.406 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.548 -14.420 -0.416 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.490 -15.864 -0.569 1.00 0.00 C ATOM 1040 C ILE A 71 -1.449 -16.434 0.396 1.00 0.00 C ATOM 1041 O ILE A 71 -0.531 -15.728 0.812 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.244 -16.239 -2.032 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.258 -15.556 -2.951 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -2.235 -17.757 -2.215 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.451 -16.473 -3.229 1.00 0.00 C ATOM 0 H ILE A 71 -1.705 -13.926 -0.708 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.448 -16.313 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.257 -15.875 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.605 -14.631 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.777 -15.284 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.058 -17.996 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.443 -18.192 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.197 -18.166 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.157 -15.963 -3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.103 -17.387 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.944 -16.723 -2.290 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.626 -17.705 0.724 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.712 -18.378 1.632 1.00 0.00 C ATOM 1059 C LYS A 72 0.386 -19.071 0.823 1.00 0.00 C ATOM 1060 O LYS A 72 0.199 -19.370 -0.355 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.479 -19.320 2.563 1.00 0.00 C ATOM 1062 CG LYS A 72 -2.121 -20.465 1.776 1.00 0.00 C ATOM 1063 CD LYS A 72 -3.589 -20.644 2.168 1.00 0.00 C ATOM 1064 CE LYS A 72 -4.434 -21.048 0.958 1.00 0.00 C ATOM 1065 NZ LYS A 72 -5.868 -21.090 1.318 1.00 0.00 N ATOM 0 H LYS A 72 -2.389 -18.287 0.378 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.220 -17.655 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.802 -19.725 3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.250 -18.763 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.048 -20.262 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.576 -21.390 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.672 -21.405 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.972 -19.715 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.278 -20.339 0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.116 -22.025 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.427 -21.366 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.015 -21.784 2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.172 -20.150 1.643 1.00 0.00 H new ATOM 1079 N ASP A 73 1.507 -19.307 1.489 1.00 0.00 N ATOM 1080 CA ASP A 73 2.635 -19.960 0.846 1.00 0.00 C ATOM 1081 C ASP A 73 3.205 -19.038 -0.233 1.00 0.00 C ATOM 1082 O ASP A 73 3.950 -19.483 -1.105 1.00 0.00 O ATOM 1083 CB ASP A 73 2.206 -21.266 0.175 1.00 0.00 C ATOM 1084 CG ASP A 73 3.203 -22.420 0.308 1.00 0.00 C ATOM 1085 OD1 ASP A 73 4.391 -22.181 0.003 1.00 0.00 O ATOM 1086 OD2 ASP A 73 2.753 -23.513 0.714 1.00 0.00 O ATOM 0 H ASP A 73 1.658 -19.058 2.466 1.00 0.00 H new ATOM 0 HA ASP A 73 3.381 -20.176 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.252 -21.579 0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.035 -21.074 -0.884 1.00 0.00 H new ATOM 1091 N VAL A 74 2.833 -17.770 -0.140 1.00 0.00 N ATOM 1092 CA VAL A 74 3.298 -16.781 -1.098 1.00 0.00 C ATOM 1093 C VAL A 74 3.763 -15.531 -0.349 1.00 0.00 C ATOM 1094 O VAL A 74 3.602 -15.435 0.867 1.00 0.00 O ATOM 1095 CB VAL A 74 2.201 -16.490 -2.124 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.826 -17.755 -2.899 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.972 -15.874 -1.453 1.00 0.00 C ATOM 0 H VAL A 74 2.215 -17.404 0.584 1.00 0.00 H new ATOM 0 HA VAL A 74 4.153 -17.162 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 74 2.593 -15.764 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.044 -17.521 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.703 -18.134 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.463 -18.513 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.208 -15.677 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.579 -16.566 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.253 -14.939 -0.967 1.00 0.00 H new ATOM 1107 N LEU A 75 4.331 -14.603 -1.106 1.00 0.00 N ATOM 1108 CA LEU A 75 4.820 -13.363 -0.529 1.00 0.00 C ATOM 1109 C LEU A 75 4.221 -12.179 -1.292 1.00 0.00 C ATOM 1110 O LEU A 75 4.758 -11.760 -2.315 1.00 0.00 O ATOM 1111 CB LEU A 75 6.349 -13.357 -0.489 1.00 0.00 C ATOM 1112 CG LEU A 75 6.985 -12.726 0.751 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.264 -11.435 1.141 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.038 -13.725 1.909 1.00 0.00 C ATOM 0 H LEU A 75 4.463 -14.686 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 75 4.496 -13.272 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.699 -14.386 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.714 -12.828 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 75 8.014 -12.459 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.736 -11.007 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.323 -10.723 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.218 -11.654 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.495 -13.251 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.027 -14.045 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.631 -14.591 1.615 1.00 0.00 H new ATOM 1126 N TYR A 76 3.115 -11.675 -0.763 1.00 0.00 N ATOM 1127 CA TYR A 76 2.438 -10.548 -1.381 1.00 0.00 C ATOM 1128 C TYR A 76 3.111 -9.227 -1.001 1.00 0.00 C ATOM 1129 O TYR A 76 3.222 -8.901 0.179 1.00 0.00 O ATOM 1130 CB TYR A 76 1.012 -10.558 -0.827 1.00 0.00 C ATOM 1131 CG TYR A 76 -0.036 -11.080 -1.812 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.303 -12.432 -1.883 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.714 -10.199 -2.629 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.288 -12.924 -2.811 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.700 -10.690 -3.557 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.938 -12.029 -3.602 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.870 -12.493 -4.477 1.00 0.00 O ATOM 0 H TYR A 76 2.672 -12.026 0.086 1.00 0.00 H new ATOM 0 HA TYR A 76 2.466 -10.633 -2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.987 -11.173 0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.742 -9.545 -0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.227 -13.121 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.505 -9.141 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.506 -13.980 -2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.238 -10.011 -4.202 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.567 -12.329 -5.395 1.00 0.00 H new ATOM 1147 N GLU A 77 3.542 -8.504 -2.024 1.00 0.00 N ATOM 1148 CA GLU A 77 4.201 -7.227 -1.813 1.00 0.00 C ATOM 1149 C GLU A 77 3.172 -6.095 -1.797 1.00 0.00 C ATOM 1150 O GLU A 77 1.989 -6.322 -2.048 1.00 0.00 O ATOM 1151 CB GLU A 77 5.272 -6.979 -2.877 1.00 0.00 C ATOM 1152 CG GLU A 77 6.570 -7.709 -2.527 1.00 0.00 C ATOM 1153 CD GLU A 77 7.295 -8.173 -3.792 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.888 -9.228 -4.325 1.00 0.00 O ATOM 1155 OE2 GLU A 77 8.241 -7.464 -4.197 1.00 0.00 O ATOM 0 H GLU A 77 3.448 -8.779 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 77 4.699 -7.254 -0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.911 -7.317 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.464 -5.909 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.220 -7.049 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.349 -8.568 -1.894 1.00 0.00 H new ATOM 1162 N PHE A 78 3.659 -4.899 -1.499 1.00 0.00 N ATOM 1163 CA PHE A 78 2.796 -3.731 -1.447 1.00 0.00 C ATOM 1164 C PHE A 78 3.582 -2.455 -1.753 1.00 0.00 C ATOM 1165 O PHE A 78 4.808 -2.437 -1.653 1.00 0.00 O ATOM 1166 CB PHE A 78 2.243 -3.646 -0.023 1.00 0.00 C ATOM 1167 CG PHE A 78 1.333 -4.814 0.362 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.108 -4.941 -0.215 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.749 -5.726 1.281 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.736 -6.025 0.142 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.905 -6.810 1.639 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.320 -6.937 1.061 1.00 0.00 C ATOM 0 H PHE A 78 4.640 -4.714 -1.291 1.00 0.00 H new ATOM 0 HA PHE A 78 2.001 -3.823 -2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.077 -3.602 0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.687 -2.715 0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.223 -4.217 -0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.722 -5.626 1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.709 -6.126 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.235 -7.533 2.370 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.962 -7.762 1.332 1.00 0.00 H new ATOM 1182 N ARG A 79 2.844 -1.417 -2.121 1.00 0.00 N ATOM 1183 CA ARG A 79 3.457 -0.140 -2.442 1.00 0.00 C ATOM 1184 C ARG A 79 2.396 0.962 -2.488 1.00 0.00 C ATOM 1185 O ARG A 79 1.338 0.784 -3.091 1.00 0.00 O ATOM 1186 CB ARG A 79 4.180 -0.199 -3.790 1.00 0.00 C ATOM 1187 CG ARG A 79 3.180 -0.211 -4.948 1.00 0.00 C ATOM 1188 CD ARG A 79 3.789 -0.862 -6.191 1.00 0.00 C ATOM 1189 NE ARG A 79 5.245 -0.602 -6.237 1.00 0.00 N ATOM 1190 CZ ARG A 79 6.031 -0.914 -7.277 1.00 0.00 C ATOM 1191 NH1 ARG A 79 5.506 -1.499 -8.362 1.00 0.00 N ATOM 1192 NH2 ARG A 79 7.342 -0.640 -7.231 1.00 0.00 N ATOM 0 H ARG A 79 1.828 -1.435 -2.204 1.00 0.00 H new ATOM 0 HA ARG A 79 4.185 0.084 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.845 0.659 -3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.803 -1.092 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.282 -0.753 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.874 0.809 -5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.603 -1.936 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.312 -0.468 -7.089 1.00 0.00 H new ATOM 0 HE ARG A 79 5.677 -0.158 -5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.508 -1.707 -8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.104 -1.736 -9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.741 -0.194 -6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.941 -0.877 -8.022 1.00 0.00 H new ATOM 1206 N LEU A 80 2.715 2.074 -1.844 1.00 0.00 N ATOM 1207 CA LEU A 80 1.802 3.204 -1.804 1.00 0.00 C ATOM 1208 C LEU A 80 2.433 4.390 -2.536 1.00 0.00 C ATOM 1209 O LEU A 80 3.623 4.660 -2.379 1.00 0.00 O ATOM 1210 CB LEU A 80 1.399 3.516 -0.361 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.085 3.808 -0.128 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.963 2.740 -0.782 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.385 3.961 1.365 1.00 0.00 C ATOM 0 H LEU A 80 3.593 2.217 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 80 0.875 2.964 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.686 2.672 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.976 4.376 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.325 4.758 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.013 2.971 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.775 2.722 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.728 1.765 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.446 4.168 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.124 3.039 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.201 4.785 1.771 1.00 0.00 H new ATOM 1225 N VAL A 81 1.607 5.066 -3.321 1.00 0.00 N ATOM 1226 CA VAL A 81 2.069 6.217 -4.079 1.00 0.00 C ATOM 1227 C VAL A 81 1.034 7.339 -3.976 1.00 0.00 C ATOM 1228 O VAL A 81 -0.074 7.215 -4.496 1.00 0.00 O ATOM 1229 CB VAL A 81 2.367 5.808 -5.523 1.00 0.00 C ATOM 1230 CG1 VAL A 81 2.318 4.287 -5.683 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.405 6.494 -6.496 1.00 0.00 C ATOM 0 H VAL A 81 0.621 4.839 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 81 3.003 6.597 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 81 3.378 6.137 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.533 4.023 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.060 3.828 -5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.325 3.925 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.638 6.187 -7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.381 6.209 -6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.510 7.575 -6.410 1.00 0.00 H new ATOM 1241 N ALA A 82 1.432 8.408 -3.302 1.00 0.00 N ATOM 1242 CA ALA A 82 0.552 9.551 -3.124 1.00 0.00 C ATOM 1243 C ALA A 82 0.444 10.316 -4.445 1.00 0.00 C ATOM 1244 O ALA A 82 1.429 10.455 -5.168 1.00 0.00 O ATOM 1245 CB ALA A 82 1.076 10.426 -1.984 1.00 0.00 C ATOM 0 H ALA A 82 2.352 8.507 -2.873 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.451 9.225 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.416 11.283 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.106 9.844 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.080 10.775 -2.225 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.761 10.792 -4.720 1.00 0.00 N ATOM 1252 CA PHE A 83 -1.011 11.539 -5.940 1.00 0.00 C ATOM 1253 C PHE A 83 -2.027 12.658 -5.701 1.00 0.00 C ATOM 1254 O PHE A 83 -3.103 12.418 -5.156 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.586 10.553 -6.959 1.00 0.00 C ATOM 1256 CG PHE A 83 -3.002 10.074 -6.630 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -4.071 10.866 -6.913 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -3.191 8.856 -6.055 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.384 10.421 -6.608 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.504 8.412 -5.750 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.573 9.203 -6.032 1.00 0.00 C ATOM 0 H PHE A 83 -1.576 10.675 -4.118 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.086 11.995 -6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.592 11.024 -7.942 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.927 9.688 -7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.921 11.833 -7.370 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.342 8.227 -5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.233 11.049 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.654 7.445 -5.293 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.572 8.865 -5.799 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.649 13.857 -6.119 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.513 15.013 -5.957 1.00 0.00 C ATOM 1273 C ALA A 84 -2.926 15.533 -7.336 1.00 0.00 C ATOM 1274 O ALA A 84 -2.114 16.119 -8.051 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.794 16.076 -5.124 1.00 0.00 C ATOM 0 H ALA A 84 -0.755 14.053 -6.570 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.422 14.740 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.443 16.943 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.549 15.666 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.877 16.377 -5.631 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.188 15.301 -7.667 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.718 15.739 -8.947 1.00 0.00 C ATOM 1283 C GLY A 85 -4.004 15.038 -10.105 1.00 0.00 C ATOM 1284 O GLY A 85 -4.165 13.835 -10.300 1.00 0.00 O ATOM 0 H GLY A 85 -4.859 14.816 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.787 15.529 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.601 16.818 -9.043 1.00 0.00 H new ATOM 1288 N SER A 86 -3.231 15.822 -10.843 1.00 0.00 N ATOM 1289 CA SER A 86 -2.493 15.292 -11.976 1.00 0.00 C ATOM 1290 C SER A 86 -1.101 14.841 -11.528 1.00 0.00 C ATOM 1291 O SER A 86 -0.365 14.227 -12.300 1.00 0.00 O ATOM 1292 CB SER A 86 -2.380 16.329 -13.094 1.00 0.00 C ATOM 1293 OG SER A 86 -3.155 15.970 -14.235 1.00 0.00 O ATOM 0 H SER A 86 -3.100 16.820 -10.678 1.00 0.00 H new ATOM 0 HA SER A 86 -3.038 14.433 -12.368 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.709 17.300 -12.723 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.335 16.436 -13.385 1.00 0.00 H new ATOM 0 HG SER A 86 -3.058 16.658 -14.926 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.781 15.163 -10.284 1.00 0.00 N ATOM 1300 CA PHE A 87 0.510 14.799 -9.724 1.00 0.00 C ATOM 1301 C PHE A 87 0.469 13.393 -9.123 1.00 0.00 C ATOM 1302 O PHE A 87 -0.438 13.066 -8.360 1.00 0.00 O ATOM 1303 CB PHE A 87 0.817 15.807 -8.615 1.00 0.00 C ATOM 1304 CG PHE A 87 0.942 17.251 -9.104 1.00 0.00 C ATOM 1305 CD1 PHE A 87 0.948 17.520 -10.437 1.00 0.00 C ATOM 1306 CD2 PHE A 87 1.046 18.267 -8.205 1.00 0.00 C ATOM 1307 CE1 PHE A 87 1.064 18.860 -10.891 1.00 0.00 C ATOM 1308 CE2 PHE A 87 1.162 19.607 -8.659 1.00 0.00 C ATOM 1309 CZ PHE A 87 1.168 19.876 -9.992 1.00 0.00 C ATOM 0 H PHE A 87 -1.394 15.672 -9.647 1.00 0.00 H new ATOM 0 HA PHE A 87 1.271 14.809 -10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.029 15.756 -7.863 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.746 15.519 -8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.864 16.714 -11.151 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.040 18.054 -7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.070 19.073 -11.950 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.246 20.413 -7.945 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.255 20.896 -10.337 1.00 0.00 H new ATOM 1319 N VAL A 88 1.465 12.598 -9.489 1.00 0.00 N ATOM 1320 CA VAL A 88 1.554 11.235 -8.994 1.00 0.00 C ATOM 1321 C VAL A 88 2.933 11.014 -8.367 1.00 0.00 C ATOM 1322 O VAL A 88 3.954 11.162 -9.037 1.00 0.00 O ATOM 1323 CB VAL A 88 1.245 10.248 -10.122 1.00 0.00 C ATOM 1324 CG1 VAL A 88 1.612 8.819 -9.716 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -0.223 10.339 -10.542 1.00 0.00 C ATOM 0 H VAL A 88 2.216 12.872 -10.122 1.00 0.00 H new ATOM 0 HA VAL A 88 0.811 11.062 -8.215 1.00 0.00 H new ATOM 0 HB VAL A 88 1.857 10.519 -10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.382 8.138 -10.535 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.677 8.767 -9.489 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.039 8.533 -8.834 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.417 9.628 -11.345 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.861 10.106 -9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.439 11.348 -10.892 1.00 0.00 H new ATOM 1335 N SER A 89 2.917 10.663 -7.090 1.00 0.00 N ATOM 1336 CA SER A 89 4.153 10.420 -6.365 1.00 0.00 C ATOM 1337 C SER A 89 4.618 8.981 -6.593 1.00 0.00 C ATOM 1338 O SER A 89 3.837 8.132 -7.020 1.00 0.00 O ATOM 1339 CB SER A 89 3.977 10.691 -4.870 1.00 0.00 C ATOM 1340 OG SER A 89 3.438 9.565 -4.183 1.00 0.00 O ATOM 0 H SER A 89 2.068 10.541 -6.538 1.00 0.00 H new ATOM 0 HA SER A 89 4.912 11.105 -6.743 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.940 10.955 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.319 11.549 -4.732 1.00 0.00 H new ATOM 0 HG SER A 89 2.623 9.264 -4.637 1.00 0.00 H new ATOM 1346 N ASP A 90 5.889 8.750 -6.297 1.00 0.00 N ATOM 1347 CA ASP A 90 6.468 7.427 -6.463 1.00 0.00 C ATOM 1348 C ASP A 90 5.926 6.497 -5.376 1.00 0.00 C ATOM 1349 O ASP A 90 5.494 6.957 -4.320 1.00 0.00 O ATOM 1350 CB ASP A 90 7.991 7.472 -6.331 1.00 0.00 C ATOM 1351 CG ASP A 90 8.753 7.562 -7.656 1.00 0.00 C ATOM 1352 OD1 ASP A 90 8.298 8.341 -8.520 1.00 0.00 O ATOM 1353 OD2 ASP A 90 9.772 6.848 -7.773 1.00 0.00 O ATOM 0 H ASP A 90 6.534 9.457 -5.943 1.00 0.00 H new ATOM 0 HA ASP A 90 6.203 7.065 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.262 8.329 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.321 6.580 -5.799 1.00 0.00 H new ATOM 1358 N PRO A 91 5.969 5.172 -5.679 1.00 0.00 N ATOM 1359 CA PRO A 91 5.488 4.174 -4.739 1.00 0.00 C ATOM 1360 C PRO A 91 6.480 3.978 -3.591 1.00 0.00 C ATOM 1361 O PRO A 91 7.573 3.452 -3.794 1.00 0.00 O ATOM 1362 CB PRO A 91 5.285 2.917 -5.570 1.00 0.00 C ATOM 1363 CG PRO A 91 6.095 3.122 -6.840 1.00 0.00 C ATOM 1364 CD PRO A 91 6.473 4.592 -6.920 1.00 0.00 C ATOM 0 HA PRO A 91 4.558 4.468 -4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.623 2.033 -5.030 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.230 2.767 -5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.989 2.498 -6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.514 2.829 -7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.552 4.719 -7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.024 5.069 -7.791 1.00 0.00 H new ATOM 1372 N SER A 92 6.064 4.412 -2.411 1.00 0.00 N ATOM 1373 CA SER A 92 6.902 4.291 -1.231 1.00 0.00 C ATOM 1374 C SER A 92 7.515 2.891 -1.165 1.00 0.00 C ATOM 1375 O SER A 92 7.164 2.019 -1.958 1.00 0.00 O ATOM 1376 CB SER A 92 6.106 4.583 0.043 1.00 0.00 C ATOM 1377 OG SER A 92 4.964 3.739 0.163 1.00 0.00 O ATOM 0 H SER A 92 5.157 4.848 -2.247 1.00 0.00 H new ATOM 0 HA SER A 92 7.702 5.028 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.750 4.448 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.788 5.626 0.041 1.00 0.00 H new ATOM 0 HG SER A 92 4.483 3.955 0.989 1.00 0.00 H new ATOM 1383 N ASN A 93 8.419 2.719 -0.212 1.00 0.00 N ATOM 1384 CA ASN A 93 9.084 1.440 -0.033 1.00 0.00 C ATOM 1385 C ASN A 93 8.071 0.311 -0.239 1.00 0.00 C ATOM 1386 O ASN A 93 6.866 0.525 -0.124 1.00 0.00 O ATOM 1387 CB ASN A 93 9.656 1.309 1.380 1.00 0.00 C ATOM 1388 CG ASN A 93 8.643 1.776 2.427 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.083 2.858 2.348 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.440 0.904 3.410 1.00 0.00 N ATOM 0 H ASN A 93 8.707 3.445 0.445 1.00 0.00 H new ATOM 0 HA ASN A 93 9.896 1.378 -0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.929 0.271 1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.569 1.899 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.783 1.123 4.158 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.942 0.016 3.416 1.00 0.00 H new ATOM 1397 N THR A 94 8.599 -0.867 -0.539 1.00 0.00 N ATOM 1398 CA THR A 94 7.757 -2.029 -0.762 1.00 0.00 C ATOM 1399 C THR A 94 7.617 -2.842 0.526 1.00 0.00 C ATOM 1400 O THR A 94 8.615 -3.189 1.157 1.00 0.00 O ATOM 1401 CB THR A 94 8.352 -2.829 -1.923 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.015 -1.848 -2.716 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.278 -3.396 -2.854 1.00 0.00 C ATOM 0 H THR A 94 9.600 -1.041 -0.633 1.00 0.00 H new ATOM 0 HA THR A 94 6.744 -1.735 -1.036 1.00 0.00 H new ATOM 0 HB THR A 94 8.959 -3.644 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.431 -2.280 -3.491 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.753 -3.955 -3.660 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.622 -4.059 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.693 -2.578 -3.275 1.00 0.00 H new ATOM 1411 N ALA A 95 6.372 -3.122 0.880 1.00 0.00 N ATOM 1412 CA ALA A 95 6.089 -3.888 2.082 1.00 0.00 C ATOM 1413 C ALA A 95 5.380 -5.188 1.698 1.00 0.00 C ATOM 1414 O ALA A 95 4.653 -5.234 0.707 1.00 0.00 O ATOM 1415 CB ALA A 95 5.262 -3.035 3.047 1.00 0.00 C ATOM 0 H ALA A 95 5.547 -2.832 0.355 1.00 0.00 H new ATOM 0 HA ALA A 95 7.013 -4.156 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.049 -3.609 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.822 -2.138 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.325 -2.750 2.569 1.00 0.00 H new ATOM 1421 N ASN A 96 5.615 -6.213 2.504 1.00 0.00 N ATOM 1422 CA ASN A 96 5.008 -7.510 2.262 1.00 0.00 C ATOM 1423 C ASN A 96 4.830 -8.242 3.594 1.00 0.00 C ATOM 1424 O ASN A 96 5.379 -7.826 4.613 1.00 0.00 O ATOM 1425 CB ASN A 96 5.895 -8.374 1.363 1.00 0.00 C ATOM 1426 CG ASN A 96 7.215 -8.713 2.058 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.305 -8.794 3.272 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.232 -8.905 1.223 1.00 0.00 N ATOM 0 H ASN A 96 6.218 -6.171 3.326 1.00 0.00 H new ATOM 0 HA ASN A 96 4.048 -7.347 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.370 -9.293 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.096 -7.847 0.430 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.156 -9.135 1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.088 -8.822 0.217 1.00 0.00 H new ATOM 1435 N VAL A 97 4.060 -9.319 3.542 1.00 0.00 N ATOM 1436 CA VAL A 97 3.802 -10.113 4.732 1.00 0.00 C ATOM 1437 C VAL A 97 4.210 -11.564 4.470 1.00 0.00 C ATOM 1438 O VAL A 97 4.441 -11.951 3.325 1.00 0.00 O ATOM 1439 CB VAL A 97 2.337 -9.969 5.149 1.00 0.00 C ATOM 1440 CG1 VAL A 97 1.848 -8.533 4.950 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.452 -10.960 4.391 1.00 0.00 C ATOM 0 H VAL A 97 3.606 -9.661 2.695 1.00 0.00 H new ATOM 0 HA VAL A 97 4.401 -9.754 5.569 1.00 0.00 H new ATOM 0 HB VAL A 97 2.267 -10.202 6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.804 -8.459 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.451 -7.856 5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.940 -8.260 3.899 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.416 -10.837 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.531 -10.773 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.778 -11.978 4.606 1.00 0.00 H new ATOM 1451 N SER A 98 4.286 -12.328 5.550 1.00 0.00 N ATOM 1452 CA SER A 98 4.661 -13.728 5.451 1.00 0.00 C ATOM 1453 C SER A 98 3.557 -14.609 6.039 1.00 0.00 C ATOM 1454 O SER A 98 2.711 -14.129 6.793 1.00 0.00 O ATOM 1455 CB SER A 98 5.989 -13.993 6.164 1.00 0.00 C ATOM 1456 OG SER A 98 6.347 -15.372 6.129 1.00 0.00 O ATOM 0 H SER A 98 4.094 -12.004 6.498 1.00 0.00 H new ATOM 0 HA SER A 98 4.790 -13.974 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.776 -13.402 5.696 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.916 -13.663 7.200 1.00 0.00 H new ATOM 0 HG SER A 98 7.201 -15.500 6.593 1.00 0.00 H new