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= -13! C(o=-14!,f=-18!) USER MOD Set 1.2: A 76 TYR OH : rot 30:sc= -1.08 USER MOD Single : A 9 SER OG : rot -45:sc= 1.2 USER MOD Single : A 19 THR OG1 : rot -89:sc= 1.23 USER MOD Single : A 26 HIS : no HE2:sc= -3.6! C(o=-3.6!,f=-5.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 100:sc= -3.54! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00506 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00444 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 -48:sc= -1.19 USER MOD Single : A 92 SER OG : rot -172:sc= -2.09 USER MOD Single : A 93 ASN : amide:sc= 0.0633 K(o=0.063,f=-5.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.48! C(o=-2.5!,f=-4.6!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 5.632 16.897 -5.113 1.00 0.00 N ATOM 67 CA LEU A 8 4.843 16.009 -4.275 1.00 0.00 C ATOM 68 C LEU A 8 5.741 14.897 -3.730 1.00 0.00 C ATOM 69 O LEU A 8 6.353 14.156 -4.498 1.00 0.00 O ATOM 70 CB LEU A 8 3.622 15.495 -5.041 1.00 0.00 C ATOM 71 CG LEU A 8 2.776 14.441 -4.324 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.103 15.029 -3.082 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.763 13.808 -5.279 1.00 0.00 C ATOM 0 HA LEU A 8 4.447 16.548 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.983 16.345 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.962 15.077 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 8 3.439 13.645 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.508 14.259 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.865 15.393 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.456 15.855 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.175 13.063 -4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.101 14.580 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.291 13.330 -6.104 1.00 0.00 H new ATOM 85 N SER A 9 5.791 14.815 -2.408 1.00 0.00 N ATOM 86 CA SER A 9 6.604 13.806 -1.751 1.00 0.00 C ATOM 87 C SER A 9 5.809 12.506 -1.608 1.00 0.00 C ATOM 88 O SER A 9 4.612 12.534 -1.329 1.00 0.00 O ATOM 89 CB SER A 9 7.082 14.289 -0.381 1.00 0.00 C ATOM 90 OG SER A 9 6.028 14.300 0.579 1.00 0.00 O ATOM 0 H SER A 9 5.282 15.431 -1.775 1.00 0.00 H new ATOM 0 HA SER A 9 7.484 13.621 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.886 13.643 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.497 15.292 -0.475 1.00 0.00 H new ATOM 0 HG SER A 9 5.227 14.700 0.181 1.00 0.00 H new ATOM 96 N PRO A 10 6.527 11.368 -1.811 1.00 0.00 N ATOM 97 CA PRO A 10 5.901 10.061 -1.707 1.00 0.00 C ATOM 98 C PRO A 10 5.655 9.686 -0.245 1.00 0.00 C ATOM 99 O PRO A 10 6.064 10.408 0.663 1.00 0.00 O ATOM 100 CB PRO A 10 6.857 9.111 -2.411 1.00 0.00 C ATOM 101 CG PRO A 10 8.192 9.834 -2.474 1.00 0.00 C ATOM 102 CD PRO A 10 7.947 11.297 -2.143 1.00 0.00 C ATOM 0 HA PRO A 10 4.915 10.029 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.947 8.172 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.498 8.866 -3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.897 9.396 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.633 9.736 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.566 11.623 -1.307 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.189 11.940 -2.989 1.00 0.00 H new ATOM 110 N PRO A 11 4.968 8.527 -0.057 1.00 0.00 N ATOM 111 CA PRO A 11 4.662 8.047 1.280 1.00 0.00 C ATOM 112 C PRO A 11 5.906 7.459 1.950 1.00 0.00 C ATOM 113 O PRO A 11 6.968 7.381 1.335 1.00 0.00 O ATOM 114 CB PRO A 11 3.553 7.025 1.087 1.00 0.00 C ATOM 115 CG PRO A 11 3.601 6.631 -0.380 1.00 0.00 C ATOM 116 CD PRO A 11 4.468 7.646 -1.108 1.00 0.00 C ATOM 0 HA PRO A 11 4.339 8.845 1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.705 6.158 1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.582 7.448 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.012 5.628 -0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.597 6.613 -0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.286 7.160 -1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.892 8.200 -1.849 1.00 0.00 H new ATOM 124 N ARG A 12 5.732 7.062 3.202 1.00 0.00 N ATOM 125 CA ARG A 12 6.828 6.484 3.963 1.00 0.00 C ATOM 126 C ARG A 12 6.286 5.563 5.058 1.00 0.00 C ATOM 127 O ARG A 12 5.079 5.338 5.144 1.00 0.00 O ATOM 128 CB ARG A 12 7.689 7.574 4.603 1.00 0.00 C ATOM 129 CG ARG A 12 7.349 8.951 4.028 1.00 0.00 C ATOM 130 CD ARG A 12 7.906 10.068 4.912 1.00 0.00 C ATOM 131 NE ARG A 12 6.827 11.015 5.271 1.00 0.00 N ATOM 132 CZ ARG A 12 6.840 11.790 6.363 1.00 0.00 C ATOM 133 NH1 ARG A 12 7.877 11.735 7.211 1.00 0.00 N ATOM 134 NH2 ARG A 12 5.818 12.621 6.609 1.00 0.00 N ATOM 0 H ARG A 12 4.849 7.129 3.709 1.00 0.00 H new ATOM 0 HA ARG A 12 7.445 5.909 3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.534 7.578 5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.743 7.356 4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.759 9.040 3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.267 9.056 3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.344 9.644 5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.704 10.594 4.388 1.00 0.00 H new ATOM 0 HE ARG A 12 6.023 11.082 4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.656 11.103 7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.887 12.325 8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.029 12.664 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.829 13.211 7.441 1.00 0.00 H new ATOM 148 N GLY A 13 7.203 5.055 5.867 1.00 0.00 N ATOM 149 CA GLY A 13 6.833 4.164 6.953 1.00 0.00 C ATOM 150 C GLY A 13 5.777 3.154 6.498 1.00 0.00 C ATOM 151 O GLY A 13 4.802 2.908 7.206 1.00 0.00 O ATOM 0 H GLY A 13 8.203 5.244 5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.716 3.635 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.448 4.746 7.790 1.00 0.00 H new ATOM 155 N LEU A 14 6.007 2.597 5.318 1.00 0.00 N ATOM 156 CA LEU A 14 5.087 1.620 4.759 1.00 0.00 C ATOM 157 C LEU A 14 5.485 0.222 5.236 1.00 0.00 C ATOM 158 O LEU A 14 6.626 -0.199 5.055 1.00 0.00 O ATOM 159 CB LEU A 14 5.022 1.755 3.237 1.00 0.00 C ATOM 160 CG LEU A 14 4.054 0.811 2.521 1.00 0.00 C ATOM 161 CD1 LEU A 14 2.613 1.059 2.970 1.00 0.00 C ATOM 162 CD2 LEU A 14 4.207 0.917 1.002 1.00 0.00 C ATOM 0 H LEU A 14 6.817 2.803 4.733 1.00 0.00 H new ATOM 0 HA LEU A 14 4.073 1.803 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.744 2.781 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.022 1.592 2.835 1.00 0.00 H new ATOM 0 HG LEU A 14 4.307 -0.212 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.946 0.375 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.533 0.892 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.332 2.087 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.508 0.236 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.997 1.939 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.226 0.652 0.720 1.00 0.00 H new ATOM 174 N VAL A 15 4.520 -0.460 5.837 1.00 0.00 N ATOM 175 CA VAL A 15 4.755 -1.802 6.341 1.00 0.00 C ATOM 176 C VAL A 15 3.471 -2.624 6.210 1.00 0.00 C ATOM 177 O VAL A 15 2.408 -2.078 5.919 1.00 0.00 O ATOM 178 CB VAL A 15 5.280 -1.738 7.777 1.00 0.00 C ATOM 179 CG1 VAL A 15 6.778 -1.427 7.800 1.00 0.00 C ATOM 180 CG2 VAL A 15 4.496 -0.716 8.602 1.00 0.00 C ATOM 0 H VAL A 15 3.574 -0.108 5.986 1.00 0.00 H new ATOM 0 HA VAL A 15 5.523 -2.302 5.751 1.00 0.00 H new ATOM 0 HB VAL A 15 5.134 -2.718 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.126 -1.387 8.832 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.320 -2.207 7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.957 -0.465 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.889 -0.690 9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.596 0.271 8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.444 -0.999 8.627 1.00 0.00 H new ATOM 190 N ALA A 16 3.612 -3.922 6.432 1.00 0.00 N ATOM 191 CA ALA A 16 2.476 -4.824 6.343 1.00 0.00 C ATOM 192 C ALA A 16 2.413 -5.685 7.606 1.00 0.00 C ATOM 193 O ALA A 16 3.445 -6.012 8.191 1.00 0.00 O ATOM 194 CB ALA A 16 2.590 -5.665 5.070 1.00 0.00 C ATOM 0 H ALA A 16 4.495 -4.371 6.673 1.00 0.00 H new ATOM 0 HA ALA A 16 1.544 -4.262 6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.738 -6.342 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.601 -5.008 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.512 -6.245 5.099 1.00 0.00 H new ATOM 200 N VAL A 17 1.193 -6.027 7.991 1.00 0.00 N ATOM 201 CA VAL A 17 0.982 -6.844 9.174 1.00 0.00 C ATOM 202 C VAL A 17 -0.175 -7.813 8.920 1.00 0.00 C ATOM 203 O VAL A 17 -1.338 -7.414 8.932 1.00 0.00 O ATOM 204 CB VAL A 17 0.755 -5.949 10.394 1.00 0.00 C ATOM 205 CG1 VAL A 17 -0.711 -5.523 10.497 1.00 0.00 C ATOM 206 CG2 VAL A 17 1.216 -6.643 11.677 1.00 0.00 C ATOM 0 H VAL A 17 0.339 -5.753 7.504 1.00 0.00 H new ATOM 0 HA VAL A 17 1.867 -7.443 9.387 1.00 0.00 H new ATOM 0 HB VAL A 17 1.357 -5.049 10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.845 -4.888 11.373 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.993 -4.970 9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.341 -6.407 10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.043 -5.985 12.529 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.654 -7.567 11.813 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.279 -6.872 11.605 1.00 0.00 H new ATOM 216 N ARG A 18 0.186 -9.068 8.697 1.00 0.00 N ATOM 217 CA ARG A 18 -0.807 -10.098 8.440 1.00 0.00 C ATOM 218 C ARG A 18 -1.576 -10.424 9.722 1.00 0.00 C ATOM 219 O ARG A 18 -0.985 -10.850 10.713 1.00 0.00 O ATOM 220 CB ARG A 18 -0.153 -11.374 7.907 1.00 0.00 C ATOM 221 CG ARG A 18 -1.056 -12.067 6.886 1.00 0.00 C ATOM 222 CD ARG A 18 -1.393 -13.492 7.329 1.00 0.00 C ATOM 223 NE ARG A 18 -2.166 -13.461 8.591 1.00 0.00 N ATOM 224 CZ ARG A 18 -2.887 -14.489 9.056 1.00 0.00 C ATOM 225 NH1 ARG A 18 -2.939 -15.637 8.367 1.00 0.00 N ATOM 226 NH2 ARG A 18 -3.557 -14.370 10.211 1.00 0.00 N ATOM 0 H ARG A 18 1.152 -9.395 8.689 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.495 -9.715 7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.804 -11.131 7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.055 -12.053 8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.975 -11.495 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.561 -12.092 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.969 -13.996 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.476 -14.065 7.469 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.148 -12.602 9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.429 -15.728 7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.488 -16.420 8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.518 -13.496 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.106 -15.153 10.565 1.00 0.00 H new ATOM 240 N THR A 19 -2.883 -10.212 9.661 1.00 0.00 N ATOM 241 CA THR A 19 -3.739 -10.478 10.805 1.00 0.00 C ATOM 242 C THR A 19 -4.820 -11.496 10.436 1.00 0.00 C ATOM 243 O THR A 19 -4.819 -12.035 9.331 1.00 0.00 O ATOM 244 CB THR A 19 -4.303 -9.143 11.294 1.00 0.00 C ATOM 245 OG1 THR A 19 -5.490 -8.965 10.526 1.00 0.00 O ATOM 246 CG2 THR A 19 -3.422 -7.956 10.900 1.00 0.00 C ATOM 0 H THR A 19 -3.370 -9.859 8.837 1.00 0.00 H new ATOM 0 HA THR A 19 -3.178 -10.929 11.623 1.00 0.00 H new ATOM 0 HB THR A 19 -4.411 -9.170 12.378 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.274 -8.492 9.695 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.868 -7.033 11.271 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.430 -8.080 11.333 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.340 -7.908 9.814 1.00 0.00 H new ATOM 254 N PRO A 20 -5.740 -11.735 11.409 1.00 0.00 N ATOM 255 CA PRO A 20 -6.824 -12.678 11.198 1.00 0.00 C ATOM 256 C PRO A 20 -7.896 -12.086 10.280 1.00 0.00 C ATOM 257 O PRO A 20 -8.603 -12.819 9.591 1.00 0.00 O ATOM 258 CB PRO A 20 -7.344 -12.998 12.589 1.00 0.00 C ATOM 259 CG PRO A 20 -6.847 -11.877 13.488 1.00 0.00 C ATOM 260 CD PRO A 20 -5.772 -11.115 12.730 1.00 0.00 C ATOM 0 HA PRO A 20 -6.498 -13.586 10.691 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.433 -13.051 12.596 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.976 -13.965 12.931 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.667 -11.212 13.759 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.445 -12.282 14.417 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.011 -10.054 12.664 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.805 -11.193 13.228 1.00 0.00 H new ATOM 268 N ARG A 21 -7.983 -10.764 10.301 1.00 0.00 N ATOM 269 CA ARG A 21 -8.956 -10.064 9.480 1.00 0.00 C ATOM 270 C ARG A 21 -8.336 -9.676 8.136 1.00 0.00 C ATOM 271 O ARG A 21 -9.052 -9.379 7.181 1.00 0.00 O ATOM 272 CB ARG A 21 -9.464 -8.804 10.183 1.00 0.00 C ATOM 273 CG ARG A 21 -10.441 -9.158 11.306 1.00 0.00 C ATOM 274 CD ARG A 21 -11.480 -8.051 11.499 1.00 0.00 C ATOM 275 NE ARG A 21 -12.823 -8.644 11.683 1.00 0.00 N ATOM 276 CZ ARG A 21 -13.640 -8.981 10.676 1.00 0.00 C ATOM 277 NH1 ARG A 21 -13.256 -8.785 9.407 1.00 0.00 N ATOM 278 NH2 ARG A 21 -14.841 -9.514 10.938 1.00 0.00 N ATOM 0 H ARG A 21 -7.395 -10.159 10.874 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.797 -10.738 9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.621 -8.247 10.592 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.956 -8.153 9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.944 -10.097 11.073 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.892 -9.312 12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.220 -7.444 12.366 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.482 -7.388 10.634 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.147 -8.806 12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.342 -8.379 9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.878 -9.042 8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.133 -9.663 11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.463 -9.771 10.172 1.00 0.00 H new ATOM 292 N GLY A 22 -7.012 -9.692 8.105 1.00 0.00 N ATOM 293 CA GLY A 22 -6.287 -9.345 6.894 1.00 0.00 C ATOM 294 C GLY A 22 -4.920 -8.745 7.226 1.00 0.00 C ATOM 295 O GLY A 22 -4.517 -8.713 8.388 1.00 0.00 O ATOM 0 H GLY A 22 -6.422 -9.940 8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.158 -10.234 6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.869 -8.632 6.309 1.00 0.00 H new ATOM 299 N VAL A 23 -4.243 -8.284 6.185 1.00 0.00 N ATOM 300 CA VAL A 23 -2.929 -7.687 6.351 1.00 0.00 C ATOM 301 C VAL A 23 -3.069 -6.164 6.406 1.00 0.00 C ATOM 302 O VAL A 23 -3.454 -5.536 5.421 1.00 0.00 O ATOM 303 CB VAL A 23 -1.994 -8.161 5.237 1.00 0.00 C ATOM 304 CG1 VAL A 23 -2.590 -9.358 4.493 1.00 0.00 C ATOM 305 CG2 VAL A 23 -1.670 -7.020 4.270 1.00 0.00 C ATOM 0 H VAL A 23 -4.580 -8.312 5.223 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.480 -8.007 7.291 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.061 -8.484 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.905 -9.675 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.746 -10.180 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.544 -9.073 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.004 -7.384 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.592 -6.652 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.183 -6.210 4.813 1.00 0.00 H new ATOM 315 N LEU A 24 -2.749 -5.614 7.568 1.00 0.00 N ATOM 316 CA LEU A 24 -2.834 -4.177 7.765 1.00 0.00 C ATOM 317 C LEU A 24 -1.550 -3.520 7.256 1.00 0.00 C ATOM 318 O LEU A 24 -0.450 -3.926 7.629 1.00 0.00 O ATOM 319 CB LEU A 24 -3.153 -3.854 9.226 1.00 0.00 C ATOM 320 CG LEU A 24 -3.866 -2.524 9.478 1.00 0.00 C ATOM 321 CD1 LEU A 24 -4.654 -2.081 8.244 1.00 0.00 C ATOM 322 CD2 LEU A 24 -4.751 -2.604 10.724 1.00 0.00 C ATOM 0 H LEU A 24 -2.430 -6.138 8.383 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.657 -3.761 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.771 -4.657 9.628 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.220 -3.856 9.790 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.110 -1.762 9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.151 -1.133 8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.973 -1.958 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.401 -2.836 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.246 -1.646 10.881 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.502 -3.383 10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.136 -2.841 11.592 1.00 0.00 H new ATOM 334 N LEU A 25 -1.731 -2.515 6.412 1.00 0.00 N ATOM 335 CA LEU A 25 -0.600 -1.797 5.848 1.00 0.00 C ATOM 336 C LEU A 25 -0.505 -0.414 6.496 1.00 0.00 C ATOM 337 O LEU A 25 -1.386 0.424 6.310 1.00 0.00 O ATOM 338 CB LEU A 25 -0.698 -1.756 4.322 1.00 0.00 C ATOM 339 CG LEU A 25 -0.845 -3.109 3.623 1.00 0.00 C ATOM 340 CD1 LEU A 25 -1.526 -2.952 2.262 1.00 0.00 C ATOM 341 CD2 LEU A 25 0.506 -3.818 3.509 1.00 0.00 C ATOM 0 H LEU A 25 -2.644 -2.181 6.105 1.00 0.00 H new ATOM 0 HA LEU A 25 0.331 -2.318 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.550 -1.134 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.193 -1.264 3.934 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.489 -3.741 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.618 -3.928 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.517 -2.520 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.928 -2.295 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.373 -4.777 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.194 -3.200 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.916 -3.983 4.506 1.00 0.00 H new ATOM 353 N HIS A 26 0.572 -0.218 7.242 1.00 0.00 N ATOM 354 CA HIS A 26 0.794 1.049 7.918 1.00 0.00 C ATOM 355 C HIS A 26 1.792 1.889 7.119 1.00 0.00 C ATOM 356 O HIS A 26 2.925 1.465 6.893 1.00 0.00 O ATOM 357 CB HIS A 26 1.234 0.822 9.366 1.00 0.00 C ATOM 358 CG HIS A 26 0.499 -0.298 10.063 1.00 0.00 C ATOM 359 ND1 HIS A 26 0.848 -0.753 11.323 1.00 0.00 N ATOM 360 CD2 HIS A 26 -0.567 -1.049 9.663 1.00 0.00 C ATOM 361 CE1 HIS A 26 0.022 -1.734 11.656 1.00 0.00 C ATOM 362 NE2 HIS A 26 -0.854 -1.916 10.626 1.00 0.00 N ATOM 0 H HIS A 26 1.301 -0.915 7.393 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.140 1.608 7.967 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.302 0.606 9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.087 1.744 9.928 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.611 -0.394 11.897 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.089 -0.954 8.722 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.039 -2.292 12.581 1.00 0.00 H new ATOM 370 N TRP A 27 1.337 3.065 6.714 1.00 0.00 N ATOM 371 CA TRP A 27 2.176 3.968 5.945 1.00 0.00 C ATOM 372 C TRP A 27 2.140 5.339 6.623 1.00 0.00 C ATOM 373 O TRP A 27 1.362 5.556 7.551 1.00 0.00 O ATOM 374 CB TRP A 27 1.735 4.014 4.481 1.00 0.00 C ATOM 375 CG TRP A 27 0.346 4.619 4.268 1.00 0.00 C ATOM 376 CD1 TRP A 27 0.003 5.914 4.258 1.00 0.00 C ATOM 377 CD2 TRP A 27 -0.880 3.896 4.032 1.00 0.00 C ATOM 378 NE1 TRP A 27 -1.349 6.078 4.034 1.00 0.00 N ATOM 379 CE2 TRP A 27 -1.903 4.812 3.892 1.00 0.00 C ATOM 380 CE3 TRP A 27 -1.117 2.513 3.939 1.00 0.00 C ATOM 381 CZ2 TRP A 27 -3.233 4.445 3.652 1.00 0.00 C ATOM 382 CZ3 TRP A 27 -2.452 2.163 3.699 1.00 0.00 C ATOM 383 CH2 TRP A 27 -3.493 3.073 3.556 1.00 0.00 C ATOM 0 H TRP A 27 0.397 3.414 6.904 1.00 0.00 H new ATOM 0 HA TRP A 27 3.207 3.615 5.927 1.00 0.00 H new ATOM 0 HB2 TRP A 27 2.463 4.591 3.911 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.745 3.002 4.077 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.697 6.728 4.407 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.849 6.965 3.982 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.332 1.779 4.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -4.016 5.181 3.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -2.689 1.112 3.619 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.498 2.723 3.372 1.00 0.00 H new ATOM 394 N ASP A 28 2.991 6.229 6.133 1.00 0.00 N ATOM 395 CA ASP A 28 3.066 7.573 6.680 1.00 0.00 C ATOM 396 C ASP A 28 2.666 8.581 5.601 1.00 0.00 C ATOM 397 O ASP A 28 2.851 8.329 4.412 1.00 0.00 O ATOM 398 CB ASP A 28 4.489 7.904 7.133 1.00 0.00 C ATOM 399 CG ASP A 28 4.710 7.873 8.647 1.00 0.00 C ATOM 400 OD1 ASP A 28 3.744 7.515 9.354 1.00 0.00 O ATOM 401 OD2 ASP A 28 5.840 8.208 9.062 1.00 0.00 O ATOM 0 H ASP A 28 3.634 6.045 5.363 1.00 0.00 H new ATOM 0 HA ASP A 28 2.393 7.627 7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.176 7.198 6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.750 8.895 6.763 1.00 0.00 H new ATOM 406 N PRO A 29 2.111 9.732 6.067 1.00 0.00 N ATOM 407 CA PRO A 29 1.683 10.779 5.155 1.00 0.00 C ATOM 408 C PRO A 29 2.885 11.544 4.597 1.00 0.00 C ATOM 409 O PRO A 29 3.940 11.594 5.226 1.00 0.00 O ATOM 410 CB PRO A 29 0.749 11.656 5.974 1.00 0.00 C ATOM 411 CG PRO A 29 1.049 11.340 7.430 1.00 0.00 C ATOM 412 CD PRO A 29 1.876 10.065 7.469 1.00 0.00 C ATOM 0 HA PRO A 29 1.172 10.388 4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.918 12.712 5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.294 11.445 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.593 12.162 7.895 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.124 11.212 7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.814 10.218 8.002 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.344 9.264 7.982 1.00 0.00 H new ATOM 420 N PRO A 30 2.678 12.138 3.391 1.00 0.00 N ATOM 421 CA PRO A 30 3.732 12.898 2.741 1.00 0.00 C ATOM 422 C PRO A 30 3.923 14.258 3.416 1.00 0.00 C ATOM 423 O PRO A 30 3.035 15.108 3.370 1.00 0.00 O ATOM 424 CB PRO A 30 3.297 13.011 1.289 1.00 0.00 C ATOM 425 CG PRO A 30 1.806 12.717 1.276 1.00 0.00 C ATOM 426 CD PRO A 30 1.441 12.100 2.617 1.00 0.00 C ATOM 0 HA PRO A 30 4.706 12.415 2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.502 14.007 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.840 12.303 0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.238 13.632 1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.558 12.036 0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.648 12.663 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.080 11.079 2.498 1.00 0.00 H new ATOM 434 N GLU A 31 5.088 14.421 4.026 1.00 0.00 N ATOM 435 CA GLU A 31 5.407 15.663 4.709 1.00 0.00 C ATOM 436 C GLU A 31 5.492 16.815 3.705 1.00 0.00 C ATOM 437 O GLU A 31 5.203 17.961 4.044 1.00 0.00 O ATOM 438 CB GLU A 31 6.706 15.533 5.506 1.00 0.00 C ATOM 439 CG GLU A 31 7.031 16.834 6.242 1.00 0.00 C ATOM 440 CD GLU A 31 7.311 16.571 7.723 1.00 0.00 C ATOM 441 OE1 GLU A 31 8.048 15.599 7.997 1.00 0.00 O ATOM 442 OE2 GLU A 31 6.782 17.348 8.547 1.00 0.00 O ATOM 0 H GLU A 31 5.822 13.714 4.061 1.00 0.00 H new ATOM 0 HA GLU A 31 4.607 15.882 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.616 14.718 6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.525 15.277 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.898 17.309 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.198 17.530 6.144 1.00 0.00 H new ATOM 449 N LEU A 32 5.889 16.469 2.489 1.00 0.00 N ATOM 450 CA LEU A 32 6.016 17.460 1.434 1.00 0.00 C ATOM 451 C LEU A 32 4.944 17.207 0.372 1.00 0.00 C ATOM 452 O LEU A 32 5.025 16.236 -0.378 1.00 0.00 O ATOM 453 CB LEU A 32 7.442 17.471 0.878 1.00 0.00 C ATOM 454 CG LEU A 32 8.379 18.532 1.458 1.00 0.00 C ATOM 455 CD1 LEU A 32 9.639 18.676 0.602 1.00 0.00 C ATOM 456 CD2 LEU A 32 7.653 19.866 1.638 1.00 0.00 C ATOM 0 H LEU A 32 6.127 15.517 2.211 1.00 0.00 H new ATOM 0 HA LEU A 32 5.845 18.461 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.885 16.490 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.389 17.612 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 32 8.697 18.203 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.289 19.436 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.167 17.723 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.360 18.971 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.342 20.602 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.287 20.214 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.812 19.734 2.319 1.00 0.00 H new ATOM 468 N VAL A 33 3.965 18.099 0.342 1.00 0.00 N ATOM 469 CA VAL A 33 2.878 17.985 -0.615 1.00 0.00 C ATOM 470 C VAL A 33 2.594 19.360 -1.224 1.00 0.00 C ATOM 471 O VAL A 33 2.773 20.383 -0.566 1.00 0.00 O ATOM 472 CB VAL A 33 1.652 17.364 0.056 1.00 0.00 C ATOM 473 CG1 VAL A 33 1.762 17.444 1.580 1.00 0.00 C ATOM 474 CG2 VAL A 33 0.363 18.025 -0.436 1.00 0.00 C ATOM 0 H VAL A 33 3.902 18.904 0.965 1.00 0.00 H new ATOM 0 HA VAL A 33 3.157 17.319 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 33 1.615 16.311 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.878 16.996 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.651 16.906 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.836 18.488 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.493 17.565 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.387 19.089 -0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.275 17.893 -1.514 1.00 0.00 H new ATOM 484 N PRO A 34 2.144 19.338 -2.507 1.00 0.00 N ATOM 485 CA PRO A 34 1.834 20.570 -3.212 1.00 0.00 C ATOM 486 C PRO A 34 0.511 21.164 -2.722 1.00 0.00 C ATOM 487 O PRO A 34 0.346 22.383 -2.696 1.00 0.00 O ATOM 488 CB PRO A 34 1.803 20.186 -4.682 1.00 0.00 C ATOM 489 CG PRO A 34 1.637 18.675 -4.714 1.00 0.00 C ATOM 490 CD PRO A 34 1.920 18.145 -3.318 1.00 0.00 C ATOM 0 HA PRO A 34 2.571 21.353 -3.034 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.980 20.680 -5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.722 20.489 -5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.627 18.409 -5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.321 18.231 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.082 17.560 -2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.793 17.492 -3.312 1.00 0.00 H new ATOM 498 N LYS A 35 -0.396 20.275 -2.346 1.00 0.00 N ATOM 499 CA LYS A 35 -1.699 20.696 -1.858 1.00 0.00 C ATOM 500 C LYS A 35 -2.220 19.666 -0.854 1.00 0.00 C ATOM 501 O LYS A 35 -1.679 19.536 0.244 1.00 0.00 O ATOM 502 CB LYS A 35 -2.652 20.952 -3.027 1.00 0.00 C ATOM 503 CG LYS A 35 -2.341 22.287 -3.707 1.00 0.00 C ATOM 504 CD LYS A 35 -3.406 22.634 -4.749 1.00 0.00 C ATOM 505 CE LYS A 35 -2.781 23.319 -5.965 1.00 0.00 C ATOM 506 NZ LYS A 35 -3.828 23.949 -6.800 1.00 0.00 N ATOM 0 H LYS A 35 -0.255 19.265 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.619 21.645 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.569 20.143 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.681 20.954 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.289 23.077 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.363 22.236 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.921 21.726 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.156 23.288 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.066 24.074 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.226 22.590 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.387 24.410 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.495 23.221 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.339 24.659 -6.238 1.00 0.00 H new ATOM 520 N ARG A 36 -3.263 18.961 -1.265 1.00 0.00 N ATOM 521 CA ARG A 36 -3.863 17.947 -0.416 1.00 0.00 C ATOM 522 C ARG A 36 -3.752 16.570 -1.073 1.00 0.00 C ATOM 523 O ARG A 36 -3.641 16.468 -2.294 1.00 0.00 O ATOM 524 CB ARG A 36 -5.336 18.257 -0.143 1.00 0.00 C ATOM 525 CG ARG A 36 -6.121 18.383 -1.451 1.00 0.00 C ATOM 526 CD ARG A 36 -7.626 18.278 -1.199 1.00 0.00 C ATOM 527 NE ARG A 36 -8.314 19.472 -1.738 1.00 0.00 N ATOM 528 CZ ARG A 36 -9.646 19.617 -1.781 1.00 0.00 C ATOM 529 NH1 ARG A 36 -10.441 18.643 -1.318 1.00 0.00 N ATOM 530 NH2 ARG A 36 -10.182 20.736 -2.288 1.00 0.00 N ATOM 0 H ARG A 36 -3.708 19.072 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.323 17.946 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.770 17.468 0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.417 19.184 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.894 19.338 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.809 17.601 -2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.020 17.377 -1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.819 18.189 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.739 20.233 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.033 17.791 -0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.455 18.753 -1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.576 21.477 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.195 20.847 -2.321 1.00 0.00 H new ATOM 544 N LEU A 37 -3.786 15.544 -0.235 1.00 0.00 N ATOM 545 CA LEU A 37 -3.691 14.178 -0.720 1.00 0.00 C ATOM 546 C LEU A 37 -5.051 13.739 -1.266 1.00 0.00 C ATOM 547 O LEU A 37 -5.982 13.495 -0.499 1.00 0.00 O ATOM 548 CB LEU A 37 -3.141 13.259 0.373 1.00 0.00 C ATOM 549 CG LEU A 37 -2.231 12.124 -0.101 1.00 0.00 C ATOM 550 CD1 LEU A 37 -2.237 12.017 -1.627 1.00 0.00 C ATOM 551 CD2 LEU A 37 -0.815 12.288 0.457 1.00 0.00 C ATOM 0 H LEU A 37 -3.878 15.632 0.777 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.981 14.115 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.587 13.868 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.983 12.823 0.911 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.624 11.185 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.582 11.203 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.251 11.819 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.882 12.953 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.188 11.469 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.398 13.236 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.850 12.277 1.546 1.00 0.00 H new ATOM 563 N ASP A 38 -5.124 13.652 -2.586 1.00 0.00 N ATOM 564 CA ASP A 38 -6.355 13.247 -3.243 1.00 0.00 C ATOM 565 C ASP A 38 -6.616 11.767 -2.958 1.00 0.00 C ATOM 566 O ASP A 38 -7.766 11.352 -2.818 1.00 0.00 O ATOM 567 CB ASP A 38 -6.255 13.427 -4.759 1.00 0.00 C ATOM 568 CG ASP A 38 -7.457 14.114 -5.409 1.00 0.00 C ATOM 569 OD1 ASP A 38 -7.975 15.064 -4.784 1.00 0.00 O ATOM 570 OD2 ASP A 38 -7.832 13.673 -6.517 1.00 0.00 O ATOM 0 H ASP A 38 -4.350 13.855 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.163 13.869 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.359 14.007 -4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.123 12.447 -5.218 1.00 0.00 H new ATOM 575 N GLY A 39 -5.531 11.011 -2.882 1.00 0.00 N ATOM 576 CA GLY A 39 -5.628 9.586 -2.616 1.00 0.00 C ATOM 577 C GLY A 39 -4.355 8.858 -3.054 1.00 0.00 C ATOM 578 O GLY A 39 -3.633 9.335 -3.928 1.00 0.00 O ATOM 0 H GLY A 39 -4.579 11.359 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.797 9.422 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.488 9.172 -3.143 1.00 0.00 H new ATOM 582 N TYR A 40 -4.119 7.716 -2.426 1.00 0.00 N ATOM 583 CA TYR A 40 -2.946 6.918 -2.739 1.00 0.00 C ATOM 584 C TYR A 40 -3.309 5.745 -3.651 1.00 0.00 C ATOM 585 O TYR A 40 -4.477 5.551 -3.985 1.00 0.00 O ATOM 586 CB TYR A 40 -2.439 6.372 -1.403 1.00 0.00 C ATOM 587 CG TYR A 40 -2.071 7.455 -0.387 1.00 0.00 C ATOM 588 CD1 TYR A 40 -3.060 8.074 0.350 1.00 0.00 C ATOM 589 CD2 TYR A 40 -0.750 7.813 -0.208 1.00 0.00 C ATOM 590 CE1 TYR A 40 -2.713 9.093 1.307 1.00 0.00 C ATOM 591 CE2 TYR A 40 -0.404 8.832 0.748 1.00 0.00 C ATOM 592 CZ TYR A 40 -1.402 9.422 1.458 1.00 0.00 C ATOM 593 OH TYR A 40 -1.075 10.385 2.361 1.00 0.00 O ATOM 0 H TYR A 40 -4.720 7.324 -1.701 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.198 7.520 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.205 5.728 -0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.564 5.748 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.094 7.795 0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.024 7.329 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.477 9.585 1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.626 9.121 0.898 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.757 9.964 3.187 1.00 0.00 H new ATOM 603 N VAL A 41 -2.286 4.992 -4.029 1.00 0.00 N ATOM 604 CA VAL A 41 -2.482 3.843 -4.897 1.00 0.00 C ATOM 605 C VAL A 41 -1.744 2.637 -4.313 1.00 0.00 C ATOM 606 O VAL A 41 -0.517 2.571 -4.362 1.00 0.00 O ATOM 607 CB VAL A 41 -2.039 4.182 -6.322 1.00 0.00 C ATOM 608 CG1 VAL A 41 -2.046 2.935 -7.209 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.915 5.285 -6.920 1.00 0.00 C ATOM 0 H VAL A 41 -1.319 5.155 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.539 3.582 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.016 4.555 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.727 3.203 -8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.362 2.192 -6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.053 2.520 -7.246 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.579 5.507 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.952 4.952 -6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.838 6.183 -6.307 1.00 0.00 H new ATOM 619 N LEU A 42 -2.524 1.712 -3.773 1.00 0.00 N ATOM 620 CA LEU A 42 -1.960 0.511 -3.180 1.00 0.00 C ATOM 621 C LEU A 42 -1.710 -0.525 -4.277 1.00 0.00 C ATOM 622 O LEU A 42 -2.648 -0.992 -4.922 1.00 0.00 O ATOM 623 CB LEU A 42 -2.854 0.002 -2.047 1.00 0.00 C ATOM 624 CG LEU A 42 -2.296 -1.160 -1.222 1.00 0.00 C ATOM 625 CD1 LEU A 42 -0.773 -1.069 -1.108 1.00 0.00 C ATOM 626 CD2 LEU A 42 -2.970 -1.232 0.149 1.00 0.00 C ATOM 0 H LEU A 42 -3.542 1.770 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.996 0.730 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.061 0.833 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.808 -0.307 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.525 -2.090 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.402 -1.906 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.331 -1.103 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.500 -0.132 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.555 -2.066 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.793 -0.303 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.042 -1.379 0.020 1.00 0.00 H new ATOM 638 N GLU A 43 -0.439 -0.855 -4.456 1.00 0.00 N ATOM 639 CA GLU A 43 -0.053 -1.828 -5.464 1.00 0.00 C ATOM 640 C GLU A 43 0.735 -2.972 -4.824 1.00 0.00 C ATOM 641 O GLU A 43 1.793 -2.750 -4.237 1.00 0.00 O ATOM 642 CB GLU A 43 0.753 -1.166 -6.584 1.00 0.00 C ATOM 643 CG GLU A 43 -0.139 -0.842 -7.784 1.00 0.00 C ATOM 644 CD GLU A 43 0.479 0.261 -8.645 1.00 0.00 C ATOM 645 OE1 GLU A 43 0.857 1.297 -8.056 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.561 0.043 -9.873 1.00 0.00 O ATOM 0 H GLU A 43 0.337 -0.466 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.959 -2.241 -5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.215 -0.251 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.561 -1.828 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.285 -1.739 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.123 -0.528 -7.436 1.00 0.00 H new ATOM 653 N GLY A 44 0.189 -4.172 -4.958 1.00 0.00 N ATOM 654 CA GLY A 44 0.828 -5.351 -4.400 1.00 0.00 C ATOM 655 C GLY A 44 1.025 -6.427 -5.470 1.00 0.00 C ATOM 656 O GLY A 44 0.687 -6.219 -6.634 1.00 0.00 O ATOM 0 H GLY A 44 -0.689 -4.353 -5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.793 -5.078 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.220 -5.748 -3.587 1.00 0.00 H new ATOM 660 N ARG A 45 1.570 -7.554 -5.037 1.00 0.00 N ATOM 661 CA ARG A 45 1.815 -8.663 -5.944 1.00 0.00 C ATOM 662 C ARG A 45 2.462 -9.829 -5.194 1.00 0.00 C ATOM 663 O ARG A 45 3.240 -9.618 -4.264 1.00 0.00 O ATOM 664 CB ARG A 45 2.726 -8.240 -7.098 1.00 0.00 C ATOM 665 CG ARG A 45 4.119 -7.866 -6.588 1.00 0.00 C ATOM 666 CD ARG A 45 5.163 -7.999 -7.698 1.00 0.00 C ATOM 667 NE ARG A 45 6.516 -8.118 -7.110 1.00 0.00 N ATOM 668 CZ ARG A 45 7.653 -7.993 -7.808 1.00 0.00 C ATOM 669 NH1 ARG A 45 7.607 -7.745 -9.124 1.00 0.00 N ATOM 670 NH2 ARG A 45 8.835 -8.117 -7.190 1.00 0.00 N ATOM 0 H ARG A 45 1.849 -7.723 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 45 0.854 -8.977 -6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.805 -9.053 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.286 -7.391 -7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.110 -6.843 -6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.389 -8.510 -5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.945 -8.874 -8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.119 -7.131 -8.356 1.00 0.00 H new ATOM 0 HE ARG A 45 6.587 -8.307 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.707 -7.651 -9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.472 -7.650 -9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.869 -8.307 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.701 -8.022 -7.721 1.00 0.00 H new ATOM 684 N GLN A 46 2.118 -11.033 -5.626 1.00 0.00 N ATOM 685 CA GLN A 46 2.656 -12.233 -5.006 1.00 0.00 C ATOM 686 C GLN A 46 3.353 -13.103 -6.053 1.00 0.00 C ATOM 687 O GLN A 46 2.800 -13.360 -7.121 1.00 0.00 O ATOM 688 CB GLN A 46 1.558 -13.017 -4.285 1.00 0.00 C ATOM 689 CG GLN A 46 0.825 -13.950 -5.251 1.00 0.00 C ATOM 690 CD GLN A 46 -0.273 -14.734 -4.529 1.00 0.00 C ATOM 691 OE1 GLN A 46 -0.032 -15.454 -3.574 1.00 0.00 O ATOM 692 NE2 GLN A 46 -1.489 -14.554 -5.037 1.00 0.00 N ATOM 0 H GLN A 46 1.473 -11.204 -6.398 1.00 0.00 H new ATOM 0 HA GLN A 46 3.393 -11.935 -4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.995 -13.599 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.848 -12.324 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.388 -13.368 -6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.535 -14.643 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.621 -13.937 -5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.290 -15.033 -4.625 1.00 0.00 H new ATOM 736 N GLY A 50 2.884 -9.443 -11.876 1.00 0.00 N ATOM 737 CA GLY A 50 2.486 -8.106 -12.284 1.00 0.00 C ATOM 738 C GLY A 50 1.806 -7.362 -11.133 1.00 0.00 C ATOM 739 O GLY A 50 0.919 -7.905 -10.476 1.00 0.00 O ATOM 0 HA2 GLY A 50 3.361 -7.548 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.806 -8.168 -13.134 1.00 0.00 H new ATOM 743 N TRP A 51 2.248 -6.130 -10.923 1.00 0.00 N ATOM 744 CA TRP A 51 1.693 -5.306 -9.863 1.00 0.00 C ATOM 745 C TRP A 51 0.204 -5.102 -10.153 1.00 0.00 C ATOM 746 O TRP A 51 -0.161 -4.583 -11.206 1.00 0.00 O ATOM 747 CB TRP A 51 2.462 -3.990 -9.731 1.00 0.00 C ATOM 748 CG TRP A 51 3.866 -4.146 -9.143 1.00 0.00 C ATOM 749 CD1 TRP A 51 5.027 -4.271 -9.800 1.00 0.00 C ATOM 750 CD2 TRP A 51 4.210 -4.188 -7.742 1.00 0.00 C ATOM 751 NE1 TRP A 51 6.090 -4.390 -8.929 1.00 0.00 N ATOM 752 CE2 TRP A 51 5.578 -4.339 -7.637 1.00 0.00 C ATOM 753 CE3 TRP A 51 3.394 -4.103 -6.601 1.00 0.00 C ATOM 754 CZ2 TRP A 51 6.250 -4.416 -6.411 1.00 0.00 C ATOM 755 CZ3 TRP A 51 4.080 -4.182 -5.383 1.00 0.00 C ATOM 756 CH2 TRP A 51 5.456 -4.333 -5.261 1.00 0.00 C ATOM 0 H TRP A 51 2.984 -5.683 -11.469 1.00 0.00 H new ATOM 0 HA TRP A 51 1.795 -5.800 -8.897 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.541 -3.527 -10.715 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.890 -3.308 -9.102 1.00 0.00 H new ATOM 0 HD1 TRP A 51 5.119 -4.278 -10.876 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.072 -4.496 -9.186 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.322 -3.986 -6.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.322 -4.533 -6.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.499 -4.121 -4.475 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.911 -4.386 -4.283 1.00 0.00 H new ATOM 767 N GLU A 52 -0.614 -5.522 -9.200 1.00 0.00 N ATOM 768 CA GLU A 52 -2.055 -5.392 -9.339 1.00 0.00 C ATOM 769 C GLU A 52 -2.589 -4.339 -8.367 1.00 0.00 C ATOM 770 O GLU A 52 -2.612 -4.560 -7.157 1.00 0.00 O ATOM 771 CB GLU A 52 -2.750 -6.738 -9.126 1.00 0.00 C ATOM 772 CG GLU A 52 -2.843 -7.078 -7.638 1.00 0.00 C ATOM 773 CD GLU A 52 -2.955 -8.589 -7.426 1.00 0.00 C ATOM 774 OE1 GLU A 52 -2.266 -9.319 -8.171 1.00 0.00 O ATOM 775 OE2 GLU A 52 -3.727 -8.980 -6.524 1.00 0.00 O ATOM 0 H GLU A 52 -0.307 -5.953 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.274 -5.064 -10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.750 -6.707 -9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.201 -7.521 -9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.963 -6.699 -7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.709 -6.581 -7.201 1.00 0.00 H new ATOM 782 N VAL A 53 -3.007 -3.216 -8.932 1.00 0.00 N ATOM 783 CA VAL A 53 -3.541 -2.128 -8.130 1.00 0.00 C ATOM 784 C VAL A 53 -4.602 -2.677 -7.175 1.00 0.00 C ATOM 785 O VAL A 53 -5.718 -2.984 -7.592 1.00 0.00 O ATOM 786 CB VAL A 53 -4.071 -1.018 -9.040 1.00 0.00 C ATOM 787 CG1 VAL A 53 -4.742 0.088 -8.222 1.00 0.00 C ATOM 788 CG2 VAL A 53 -2.956 -0.450 -9.919 1.00 0.00 C ATOM 0 H VAL A 53 -2.987 -3.036 -9.936 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.755 -1.682 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.825 -1.454 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.110 0.864 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.576 -0.331 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.018 0.519 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.360 0.337 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.169 -0.038 -9.287 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.543 -1.244 -10.541 1.00 0.00 H new ATOM 798 N LEU A 54 -4.218 -2.784 -5.912 1.00 0.00 N ATOM 799 CA LEU A 54 -5.123 -3.290 -4.894 1.00 0.00 C ATOM 800 C LEU A 54 -6.206 -2.246 -4.615 1.00 0.00 C ATOM 801 O LEU A 54 -7.391 -2.572 -4.574 1.00 0.00 O ATOM 802 CB LEU A 54 -4.344 -3.716 -3.648 1.00 0.00 C ATOM 803 CG LEU A 54 -3.145 -4.636 -3.888 1.00 0.00 C ATOM 804 CD1 LEU A 54 -2.372 -4.880 -2.590 1.00 0.00 C ATOM 805 CD2 LEU A 54 -3.581 -5.944 -4.550 1.00 0.00 C ATOM 0 H LEU A 54 -3.292 -2.529 -5.570 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.629 -4.188 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.992 -2.818 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.032 -4.219 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.465 -4.137 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.525 -5.537 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.010 -3.930 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.030 -5.348 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.710 -6.579 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.292 -6.459 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.052 -5.727 -5.509 1.00 0.00 H new ATOM 817 N ASP A 55 -5.760 -1.012 -4.431 1.00 0.00 N ATOM 818 CA ASP A 55 -6.676 0.082 -4.157 1.00 0.00 C ATOM 819 C ASP A 55 -6.144 1.361 -4.806 1.00 0.00 C ATOM 820 O ASP A 55 -5.176 1.949 -4.326 1.00 0.00 O ATOM 821 CB ASP A 55 -6.801 0.332 -2.653 1.00 0.00 C ATOM 822 CG ASP A 55 -8.172 0.834 -2.193 1.00 0.00 C ATOM 823 OD1 ASP A 55 -8.636 1.834 -2.781 1.00 0.00 O ATOM 824 OD2 ASP A 55 -8.724 0.206 -1.264 1.00 0.00 O ATOM 0 H ASP A 55 -4.776 -0.746 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.652 -0.187 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.574 -0.595 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.046 1.060 -2.357 1.00 0.00 H new ATOM 829 N PRO A 56 -6.818 1.766 -5.916 1.00 0.00 N ATOM 830 CA PRO A 56 -6.424 2.964 -6.636 1.00 0.00 C ATOM 831 C PRO A 56 -6.848 4.224 -5.877 1.00 0.00 C ATOM 832 O PRO A 56 -6.111 5.208 -5.841 1.00 0.00 O ATOM 833 CB PRO A 56 -7.086 2.841 -7.998 1.00 0.00 C ATOM 834 CG PRO A 56 -8.196 1.816 -7.831 1.00 0.00 C ATOM 835 CD PRO A 56 -7.970 1.095 -6.512 1.00 0.00 C ATOM 0 HA PRO A 56 -5.343 3.055 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.486 3.800 -8.326 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.369 2.520 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.171 2.304 -7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.189 1.108 -8.659 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.846 1.165 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.773 0.034 -6.669 1.00 0.00 H new ATOM 843 N ALA A 57 -8.033 4.151 -5.290 1.00 0.00 N ATOM 844 CA ALA A 57 -8.564 5.273 -4.534 1.00 0.00 C ATOM 845 C ALA A 57 -8.486 4.958 -3.039 1.00 0.00 C ATOM 846 O ALA A 57 -9.252 4.139 -2.533 1.00 0.00 O ATOM 847 CB ALA A 57 -9.993 5.569 -4.994 1.00 0.00 C ATOM 0 H ALA A 57 -8.641 3.333 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.972 6.170 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.391 6.410 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.990 5.816 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.618 4.692 -4.828 1.00 0.00 H new ATOM 853 N VAL A 58 -7.554 5.625 -2.374 1.00 0.00 N ATOM 854 CA VAL A 58 -7.366 5.426 -0.947 1.00 0.00 C ATOM 855 C VAL A 58 -7.446 6.777 -0.233 1.00 0.00 C ATOM 856 O VAL A 58 -6.771 7.729 -0.621 1.00 0.00 O ATOM 857 CB VAL A 58 -6.048 4.691 -0.690 1.00 0.00 C ATOM 858 CG1 VAL A 58 -5.777 4.561 0.810 1.00 0.00 C ATOM 859 CG2 VAL A 58 -6.044 3.320 -1.369 1.00 0.00 C ATOM 0 H VAL A 58 -6.921 6.304 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.158 4.797 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.243 5.283 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.835 4.035 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.716 5.554 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.586 4.001 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.097 2.819 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.863 2.717 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.170 3.446 -2.444 1.00 0.00 H new ATOM 869 N ALA A 59 -8.277 6.817 0.798 1.00 0.00 N ATOM 870 CA ALA A 59 -8.454 8.035 1.569 1.00 0.00 C ATOM 871 C ALA A 59 -7.106 8.744 1.712 1.00 0.00 C ATOM 872 O ALA A 59 -6.139 8.154 2.193 1.00 0.00 O ATOM 873 CB ALA A 59 -9.082 7.696 2.923 1.00 0.00 C ATOM 0 H ALA A 59 -8.835 6.025 1.117 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.132 8.718 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.215 8.610 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.051 7.222 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.428 7.014 3.467 1.00 0.00 H new ATOM 879 N GLY A 60 -7.084 9.998 1.287 1.00 0.00 N ATOM 880 CA GLY A 60 -5.870 10.793 1.362 1.00 0.00 C ATOM 881 C GLY A 60 -5.491 11.079 2.816 1.00 0.00 C ATOM 882 O GLY A 60 -4.407 11.592 3.090 1.00 0.00 O ATOM 0 H GLY A 60 -7.888 10.484 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.055 10.266 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.013 11.733 0.828 1.00 0.00 H new ATOM 886 N THR A 61 -6.406 10.735 3.711 1.00 0.00 N ATOM 887 CA THR A 61 -6.181 10.948 5.131 1.00 0.00 C ATOM 888 C THR A 61 -5.866 9.622 5.826 1.00 0.00 C ATOM 889 O THR A 61 -5.406 9.609 6.967 1.00 0.00 O ATOM 890 CB THR A 61 -7.410 11.658 5.703 1.00 0.00 C ATOM 891 OG1 THR A 61 -8.486 10.765 5.428 1.00 0.00 O ATOM 892 CG2 THR A 61 -7.769 12.925 4.925 1.00 0.00 C ATOM 0 H THR A 61 -7.304 10.310 3.480 1.00 0.00 H new ATOM 0 HA THR A 61 -5.312 11.583 5.303 1.00 0.00 H new ATOM 0 HB THR A 61 -7.229 11.913 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.323 11.146 5.767 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.648 13.390 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.932 13.623 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.983 12.667 3.888 1.00 0.00 H new ATOM 900 N GLU A 62 -6.127 8.539 5.110 1.00 0.00 N ATOM 901 CA GLU A 62 -5.878 7.211 5.644 1.00 0.00 C ATOM 902 C GLU A 62 -4.376 6.991 5.840 1.00 0.00 C ATOM 903 O GLU A 62 -3.565 7.500 5.068 1.00 0.00 O ATOM 904 CB GLU A 62 -6.476 6.134 4.736 1.00 0.00 C ATOM 905 CG GLU A 62 -7.827 5.656 5.270 1.00 0.00 C ATOM 906 CD GLU A 62 -7.643 4.649 6.407 1.00 0.00 C ATOM 907 OE1 GLU A 62 -6.768 4.910 7.261 1.00 0.00 O ATOM 908 OE2 GLU A 62 -8.381 3.640 6.397 1.00 0.00 O ATOM 0 H GLU A 62 -6.509 8.554 4.164 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.367 7.133 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.599 6.530 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.790 5.290 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.404 6.510 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.399 5.198 4.463 1.00 0.00 H new ATOM 915 N THR A 63 -4.052 6.232 6.876 1.00 0.00 N ATOM 916 CA THR A 63 -2.662 5.939 7.183 1.00 0.00 C ATOM 917 C THR A 63 -2.412 4.430 7.132 1.00 0.00 C ATOM 918 O THR A 63 -1.345 3.961 7.524 1.00 0.00 O ATOM 919 CB THR A 63 -2.336 6.563 8.541 1.00 0.00 C ATOM 920 OG1 THR A 63 -3.604 6.687 9.180 1.00 0.00 O ATOM 921 CG2 THR A 63 -1.838 8.004 8.419 1.00 0.00 C ATOM 0 H THR A 63 -4.728 5.811 7.514 1.00 0.00 H new ATOM 0 HA THR A 63 -1.993 6.374 6.441 1.00 0.00 H new ATOM 0 HB THR A 63 -1.581 5.960 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.485 7.082 10.069 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.621 8.399 9.411 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.932 8.026 7.814 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.606 8.615 7.945 1.00 0.00 H new ATOM 929 N GLU A 64 -3.413 3.713 6.645 1.00 0.00 N ATOM 930 CA GLU A 64 -3.315 2.267 6.537 1.00 0.00 C ATOM 931 C GLU A 64 -4.520 1.708 5.777 1.00 0.00 C ATOM 932 O GLU A 64 -5.454 2.443 5.460 1.00 0.00 O ATOM 933 CB GLU A 64 -3.191 1.621 7.918 1.00 0.00 C ATOM 934 CG GLU A 64 -4.294 2.117 8.856 1.00 0.00 C ATOM 935 CD GLU A 64 -5.411 1.079 8.985 1.00 0.00 C ATOM 936 OE1 GLU A 64 -6.003 0.749 7.935 1.00 0.00 O ATOM 937 OE2 GLU A 64 -5.647 0.639 10.131 1.00 0.00 O ATOM 0 H GLU A 64 -4.297 4.106 6.320 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.412 2.025 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.250 0.537 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.215 1.851 8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.873 2.328 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.704 3.053 8.478 1.00 0.00 H new ATOM 944 N LEU A 65 -4.459 0.413 5.506 1.00 0.00 N ATOM 945 CA LEU A 65 -5.534 -0.253 4.789 1.00 0.00 C ATOM 946 C LEU A 65 -5.364 -1.768 4.917 1.00 0.00 C ATOM 947 O LEU A 65 -4.255 -2.257 5.127 1.00 0.00 O ATOM 948 CB LEU A 65 -5.596 0.238 3.341 1.00 0.00 C ATOM 949 CG LEU A 65 -6.552 -0.519 2.417 1.00 0.00 C ATOM 950 CD1 LEU A 65 -7.993 -0.042 2.608 1.00 0.00 C ATOM 951 CD2 LEU A 65 -6.102 -0.415 0.958 1.00 0.00 C ATOM 0 H LEU A 65 -3.682 -0.193 5.770 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.499 -0.001 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.884 1.289 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.593 0.184 2.917 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.524 -1.574 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.651 -0.596 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.298 -0.211 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.057 1.022 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.799 -0.962 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.082 0.632 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.104 -0.842 0.854 1.00 0.00 H new ATOM 963 N LEU A 66 -6.481 -2.469 4.787 1.00 0.00 N ATOM 964 CA LEU A 66 -6.470 -3.919 4.885 1.00 0.00 C ATOM 965 C LEU A 66 -6.508 -4.522 3.480 1.00 0.00 C ATOM 966 O LEU A 66 -7.225 -4.031 2.609 1.00 0.00 O ATOM 967 CB LEU A 66 -7.603 -4.403 5.793 1.00 0.00 C ATOM 968 CG LEU A 66 -7.516 -5.858 6.257 1.00 0.00 C ATOM 969 CD1 LEU A 66 -6.966 -5.947 7.681 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.870 -6.559 6.120 1.00 0.00 C ATOM 0 H LEU A 66 -7.399 -2.060 4.615 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.548 -4.262 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.634 -3.763 6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.547 -4.266 5.266 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.815 -6.382 5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.914 -6.992 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.968 -5.510 7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.623 -5.403 8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.781 -7.592 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.611 -6.042 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.184 -6.543 5.076 1.00 0.00 H new ATOM 982 N VAL A 67 -5.727 -5.578 3.302 1.00 0.00 N ATOM 983 CA VAL A 67 -5.663 -6.253 2.017 1.00 0.00 C ATOM 984 C VAL A 67 -5.839 -7.758 2.227 1.00 0.00 C ATOM 985 O VAL A 67 -4.858 -8.493 2.329 1.00 0.00 O ATOM 986 CB VAL A 67 -4.356 -5.897 1.305 1.00 0.00 C ATOM 987 CG1 VAL A 67 -4.168 -6.749 0.048 1.00 0.00 C ATOM 988 CG2 VAL A 67 -4.303 -4.406 0.969 1.00 0.00 C ATOM 0 H VAL A 67 -5.133 -5.982 4.026 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.473 -5.919 1.368 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.533 -6.116 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.232 -6.477 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.140 -7.803 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.998 -6.575 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.364 -4.180 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.137 -4.150 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.370 -3.823 1.888 1.00 0.00 H new ATOM 998 N PRO A 68 -7.129 -8.183 2.287 1.00 0.00 N ATOM 999 CA PRO A 68 -7.446 -9.587 2.483 1.00 0.00 C ATOM 1000 C PRO A 68 -7.206 -10.388 1.202 1.00 0.00 C ATOM 1001 O PRO A 68 -7.463 -11.590 1.159 1.00 0.00 O ATOM 1002 CB PRO A 68 -8.899 -9.604 2.930 1.00 0.00 C ATOM 1003 CG PRO A 68 -9.476 -8.258 2.521 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.316 -7.341 2.170 1.00 0.00 C ATOM 0 HA PRO A 68 -6.808 -10.061 3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -9.443 -10.422 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.975 -9.750 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.144 -8.373 1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.066 -7.833 3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.419 -6.940 1.162 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.266 -6.489 2.848 1.00 0.00 H new ATOM 1012 N GLY A 69 -6.715 -9.689 0.189 1.00 0.00 N ATOM 1013 CA GLY A 69 -6.436 -10.320 -1.090 1.00 0.00 C ATOM 1014 C GLY A 69 -5.115 -11.089 -1.047 1.00 0.00 C ATOM 1015 O GLY A 69 -4.459 -11.263 -2.073 1.00 0.00 O ATOM 0 H GLY A 69 -6.503 -8.692 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.248 -11.000 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.394 -9.562 -1.872 1.00 0.00 H new ATOM 1019 N LEU A 70 -4.762 -11.528 0.153 1.00 0.00 N ATOM 1020 CA LEU A 70 -3.530 -12.275 0.344 1.00 0.00 C ATOM 1021 C LEU A 70 -3.865 -13.746 0.601 1.00 0.00 C ATOM 1022 O LEU A 70 -4.988 -14.073 0.981 1.00 0.00 O ATOM 1023 CB LEU A 70 -2.682 -11.636 1.445 1.00 0.00 C ATOM 1024 CG LEU A 70 -2.321 -10.163 1.244 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.952 -9.846 1.848 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.399 -9.776 -0.235 1.00 0.00 C ATOM 0 H LEU A 70 -5.308 -11.381 1.002 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.919 -12.240 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.216 -11.733 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.758 -12.206 1.541 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.055 -9.556 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.720 -8.793 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.968 -10.059 2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.191 -10.461 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.138 -8.724 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.702 -10.388 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.412 -9.940 -0.601 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.870 -14.593 0.383 1.00 0.00 N ATOM 1039 CA ILE A 71 -3.045 -16.021 0.587 1.00 0.00 C ATOM 1040 C ILE A 71 -1.937 -16.540 1.505 1.00 0.00 C ATOM 1041 O ILE A 71 -1.375 -15.783 2.295 1.00 0.00 O ATOM 1042 CB ILE A 71 -3.121 -16.748 -0.757 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.630 -15.815 -1.857 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.966 -18.019 -0.646 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -3.970 -16.599 -3.127 1.00 0.00 C ATOM 0 H ILE A 71 -1.940 -14.318 0.067 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.993 -16.222 1.086 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.113 -17.055 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.514 -15.282 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.873 -15.064 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.004 -18.517 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.520 -18.689 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.977 -17.758 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.330 -15.912 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.078 -17.111 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.745 -17.333 -2.905 1.00 0.00 H new ATOM 1057 N LYS A 72 -1.656 -17.828 1.371 1.00 0.00 N ATOM 1058 CA LYS A 72 -0.625 -18.457 2.179 1.00 0.00 C ATOM 1059 C LYS A 72 0.425 -19.085 1.260 1.00 0.00 C ATOM 1060 O LYS A 72 0.143 -19.381 0.100 1.00 0.00 O ATOM 1061 CB LYS A 72 -1.247 -19.446 3.166 1.00 0.00 C ATOM 1062 CG LYS A 72 -1.990 -20.563 2.429 1.00 0.00 C ATOM 1063 CD LYS A 72 -1.176 -21.858 2.434 1.00 0.00 C ATOM 1064 CE LYS A 72 -1.771 -22.876 3.409 1.00 0.00 C ATOM 1065 NZ LYS A 72 -1.648 -24.248 2.866 1.00 0.00 N ATOM 0 H LYS A 72 -2.124 -18.453 0.715 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.112 -17.713 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.468 -19.876 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.936 -18.921 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.957 -20.735 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.187 -20.257 1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.153 -22.281 1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.144 -21.642 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.259 -22.811 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.820 -22.643 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.057 -24.926 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.157 -24.310 1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.644 -24.473 2.715 1.00 0.00 H new ATOM 1079 N ASP A 73 1.615 -19.269 1.813 1.00 0.00 N ATOM 1080 CA ASP A 73 2.709 -19.856 1.057 1.00 0.00 C ATOM 1081 C ASP A 73 3.098 -18.913 -0.083 1.00 0.00 C ATOM 1082 O ASP A 73 3.702 -19.339 -1.067 1.00 0.00 O ATOM 1083 CB ASP A 73 2.298 -21.196 0.444 1.00 0.00 C ATOM 1084 CG ASP A 73 3.428 -22.218 0.308 1.00 0.00 C ATOM 1085 OD1 ASP A 73 4.597 -21.791 0.421 1.00 0.00 O ATOM 1086 OD2 ASP A 73 3.097 -23.405 0.095 1.00 0.00 O ATOM 0 H ASP A 73 1.846 -19.022 2.775 1.00 0.00 H new ATOM 0 HA ASP A 73 3.545 -20.013 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.507 -21.631 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.874 -21.012 -0.543 1.00 0.00 H new ATOM 1091 N VAL A 74 2.737 -17.650 0.086 1.00 0.00 N ATOM 1092 CA VAL A 74 3.042 -16.643 -0.917 1.00 0.00 C ATOM 1093 C VAL A 74 3.541 -15.374 -0.224 1.00 0.00 C ATOM 1094 O VAL A 74 3.240 -15.141 0.946 1.00 0.00 O ATOM 1095 CB VAL A 74 1.817 -16.399 -1.801 1.00 0.00 C ATOM 1096 CG1 VAL A 74 1.329 -17.704 -2.434 1.00 0.00 C ATOM 1097 CG2 VAL A 74 0.697 -15.720 -1.012 1.00 0.00 C ATOM 0 H VAL A 74 2.236 -17.300 0.903 1.00 0.00 H new ATOM 0 HA VAL A 74 3.839 -16.988 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 74 2.114 -15.727 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.458 -17.503 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.123 -18.130 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.058 -18.410 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.161 -15.558 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.403 -16.356 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.049 -14.761 -0.632 1.00 0.00 H new ATOM 1107 N LEU A 75 4.296 -14.586 -0.976 1.00 0.00 N ATOM 1108 CA LEU A 75 4.841 -13.346 -0.448 1.00 0.00 C ATOM 1109 C LEU A 75 4.279 -12.168 -1.247 1.00 0.00 C ATOM 1110 O LEU A 75 4.835 -11.791 -2.277 1.00 0.00 O ATOM 1111 CB LEU A 75 6.369 -13.400 -0.424 1.00 0.00 C ATOM 1112 CG LEU A 75 7.043 -12.773 0.798 1.00 0.00 C ATOM 1113 CD1 LEU A 75 6.281 -11.533 1.269 1.00 0.00 C ATOM 1114 CD2 LEU A 75 7.212 -13.802 1.919 1.00 0.00 C ATOM 0 H LEU A 75 4.543 -14.782 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 75 4.535 -13.205 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.677 -14.444 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.745 -12.901 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 75 8.041 -12.446 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.781 -11.107 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.256 -10.795 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.262 -11.812 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.693 -13.331 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.234 -14.181 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.829 -14.628 1.565 1.00 0.00 H new ATOM 1126 N TYR A 76 3.185 -11.619 -0.740 1.00 0.00 N ATOM 1127 CA TYR A 76 2.542 -10.491 -1.393 1.00 0.00 C ATOM 1128 C TYR A 76 3.221 -9.175 -1.008 1.00 0.00 C ATOM 1129 O TYR A 76 3.365 -8.870 0.175 1.00 0.00 O ATOM 1130 CB TYR A 76 1.099 -10.475 -0.884 1.00 0.00 C ATOM 1131 CG TYR A 76 0.072 -10.960 -1.909 1.00 0.00 C ATOM 1132 CD1 TYR A 76 -0.373 -10.106 -2.897 1.00 0.00 C ATOM 1133 CD2 TYR A 76 -0.408 -12.253 -1.846 1.00 0.00 C ATOM 1134 CE1 TYR A 76 -1.340 -10.562 -3.861 1.00 0.00 C ATOM 1135 CE2 TYR A 76 -1.375 -12.709 -2.811 1.00 0.00 C ATOM 1136 CZ TYR A 76 -1.793 -11.842 -3.771 1.00 0.00 C ATOM 1137 OH TYR A 76 -2.706 -12.273 -4.682 1.00 0.00 O ATOM 0 H TYR A 76 2.727 -11.934 0.115 1.00 0.00 H new ATOM 0 HA TYR A 76 2.602 -10.590 -2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.032 -11.100 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.843 -9.460 -0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.004 -9.095 -2.947 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.059 -12.922 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.698 -9.903 -4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.760 -13.717 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.573 -11.798 -5.529 1.00 0.00 H new ATOM 1147 N GLU A 77 3.619 -8.431 -2.029 1.00 0.00 N ATOM 1148 CA GLU A 77 4.279 -7.155 -1.812 1.00 0.00 C ATOM 1149 C GLU A 77 3.248 -6.025 -1.763 1.00 0.00 C ATOM 1150 O GLU A 77 2.047 -6.272 -1.861 1.00 0.00 O ATOM 1151 CB GLU A 77 5.331 -6.891 -2.892 1.00 0.00 C ATOM 1152 CG GLU A 77 6.635 -7.626 -2.578 1.00 0.00 C ATOM 1153 CD GLU A 77 7.425 -7.911 -3.857 1.00 0.00 C ATOM 1154 OE1 GLU A 77 8.217 -7.025 -4.244 1.00 0.00 O ATOM 1155 OE2 GLU A 77 7.219 -9.009 -4.419 1.00 0.00 O ATOM 0 H GLU A 77 3.497 -8.687 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 77 4.793 -7.193 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.951 -7.214 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.521 -5.820 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.240 -7.026 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.415 -8.563 -2.066 1.00 0.00 H new ATOM 1162 N PHE A 78 3.755 -4.811 -1.612 1.00 0.00 N ATOM 1163 CA PHE A 78 2.893 -3.643 -1.549 1.00 0.00 C ATOM 1164 C PHE A 78 3.688 -2.360 -1.800 1.00 0.00 C ATOM 1165 O PHE A 78 4.870 -2.283 -1.467 1.00 0.00 O ATOM 1166 CB PHE A 78 2.305 -3.596 -0.137 1.00 0.00 C ATOM 1167 CG PHE A 78 1.351 -4.750 0.178 1.00 0.00 C ATOM 1168 CD1 PHE A 78 0.106 -4.771 -0.370 1.00 0.00 C ATOM 1169 CD2 PHE A 78 1.747 -5.753 1.006 1.00 0.00 C ATOM 1170 CE1 PHE A 78 -0.780 -5.842 -0.078 1.00 0.00 C ATOM 1171 CE2 PHE A 78 0.861 -6.824 1.298 1.00 0.00 C ATOM 1172 CZ PHE A 78 -0.384 -6.846 0.750 1.00 0.00 C ATOM 0 H PHE A 78 4.752 -4.610 -1.531 1.00 0.00 H new ATOM 0 HA PHE A 78 2.117 -3.713 -2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.121 -3.605 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.774 -2.653 -0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.209 -3.974 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.735 -5.735 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.768 -5.859 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.176 -7.621 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.058 -7.660 0.972 1.00 0.00 H new ATOM 1182 N ARG A 79 3.008 -1.385 -2.385 1.00 0.00 N ATOM 1183 CA ARG A 79 3.637 -0.109 -2.684 1.00 0.00 C ATOM 1184 C ARG A 79 2.582 0.997 -2.760 1.00 0.00 C ATOM 1185 O ARG A 79 1.642 0.911 -3.548 1.00 0.00 O ATOM 1186 CB ARG A 79 4.399 -0.169 -4.009 1.00 0.00 C ATOM 1187 CG ARG A 79 3.435 -0.197 -5.196 1.00 0.00 C ATOM 1188 CD ARG A 79 4.150 -0.641 -6.474 1.00 0.00 C ATOM 1189 NE ARG A 79 3.707 0.189 -7.617 1.00 0.00 N ATOM 1190 CZ ARG A 79 3.945 -0.112 -8.900 1.00 0.00 C ATOM 1191 NH1 ARG A 79 4.623 -1.225 -9.213 1.00 0.00 N ATOM 1192 NH2 ARG A 79 3.506 0.699 -9.872 1.00 0.00 N ATOM 0 H ARG A 79 2.028 -1.452 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 79 4.342 0.110 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.059 0.695 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.031 -1.057 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.610 -0.876 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.004 0.793 -5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.229 -0.552 -6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.938 -1.691 -6.673 1.00 0.00 H new ATOM 0 HE ARG A 79 3.188 1.044 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.958 -1.843 -8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.804 -1.454 -10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.990 1.546 -9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.688 0.469 -10.849 1.00 0.00 H new ATOM 1206 N LEU A 80 2.774 2.011 -1.929 1.00 0.00 N ATOM 1207 CA LEU A 80 1.852 3.133 -1.892 1.00 0.00 C ATOM 1208 C LEU A 80 2.463 4.315 -2.647 1.00 0.00 C ATOM 1209 O LEU A 80 3.662 4.570 -2.543 1.00 0.00 O ATOM 1210 CB LEU A 80 1.463 3.459 -0.448 1.00 0.00 C ATOM 1211 CG LEU A 80 -0.034 3.615 -0.175 1.00 0.00 C ATOM 1212 CD1 LEU A 80 -0.833 2.497 -0.848 1.00 0.00 C ATOM 1213 CD2 LEU A 80 -0.312 3.694 1.327 1.00 0.00 C ATOM 0 H LEU A 80 3.555 2.079 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 80 0.921 2.878 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.850 2.671 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.963 4.383 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.365 4.556 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.894 2.631 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.669 2.530 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.506 1.532 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.384 3.805 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.038 2.782 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.211 4.552 1.749 1.00 0.00 H new ATOM 1225 N VAL A 81 1.610 5.006 -3.389 1.00 0.00 N ATOM 1226 CA VAL A 81 2.051 6.156 -4.161 1.00 0.00 C ATOM 1227 C VAL A 81 1.024 7.282 -4.022 1.00 0.00 C ATOM 1228 O VAL A 81 -0.080 7.189 -4.556 1.00 0.00 O ATOM 1229 CB VAL A 81 2.297 5.747 -5.614 1.00 0.00 C ATOM 1230 CG1 VAL A 81 1.797 4.324 -5.876 1.00 0.00 C ATOM 1231 CG2 VAL A 81 1.650 6.741 -6.581 1.00 0.00 C ATOM 0 H VAL A 81 0.616 4.792 -3.472 1.00 0.00 H new ATOM 0 HA VAL A 81 3.000 6.532 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 81 3.373 5.762 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.984 4.058 -6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.323 3.627 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.727 4.272 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.840 6.427 -7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.575 6.773 -6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.074 7.733 -6.421 1.00 0.00 H new ATOM 1241 N ALA A 82 1.425 8.320 -3.302 1.00 0.00 N ATOM 1242 CA ALA A 82 0.554 9.462 -3.087 1.00 0.00 C ATOM 1243 C ALA A 82 0.474 10.287 -4.373 1.00 0.00 C ATOM 1244 O ALA A 82 1.487 10.517 -5.032 1.00 0.00 O ATOM 1245 CB ALA A 82 1.070 10.281 -1.901 1.00 0.00 C ATOM 0 H ALA A 82 2.342 8.393 -2.860 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.456 9.133 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 82 0.417 11.138 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.080 9.659 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.081 10.630 -2.112 1.00 0.00 H new ATOM 1251 N PHE A 83 -0.741 10.709 -4.692 1.00 0.00 N ATOM 1252 CA PHE A 83 -0.967 11.502 -5.888 1.00 0.00 C ATOM 1253 C PHE A 83 -2.021 12.583 -5.638 1.00 0.00 C ATOM 1254 O PHE A 83 -3.069 12.310 -5.056 1.00 0.00 O ATOM 1255 CB PHE A 83 -1.480 10.548 -6.969 1.00 0.00 C ATOM 1256 CG PHE A 83 -2.883 10.000 -6.700 1.00 0.00 C ATOM 1257 CD1 PHE A 83 -3.968 10.806 -6.851 1.00 0.00 C ATOM 1258 CD2 PHE A 83 -3.045 8.707 -6.311 1.00 0.00 C ATOM 1259 CE1 PHE A 83 -5.270 10.298 -6.602 1.00 0.00 C ATOM 1260 CE2 PHE A 83 -4.348 8.199 -6.062 1.00 0.00 C ATOM 1261 CZ PHE A 83 -5.433 9.005 -6.213 1.00 0.00 C ATOM 0 H PHE A 83 -1.579 10.517 -4.143 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.042 11.995 -6.187 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.482 11.068 -7.927 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.786 9.712 -7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.839 11.833 -7.160 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.183 8.067 -6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.131 10.938 -6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.477 7.172 -5.753 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.424 8.618 -6.024 1.00 0.00 H new ATOM 1271 N ALA A 84 -1.705 13.788 -6.090 1.00 0.00 N ATOM 1272 CA ALA A 84 -2.612 14.911 -5.922 1.00 0.00 C ATOM 1273 C ALA A 84 -3.056 15.412 -7.298 1.00 0.00 C ATOM 1274 O ALA A 84 -2.271 16.019 -8.025 1.00 0.00 O ATOM 1275 CB ALA A 84 -1.925 16.003 -5.098 1.00 0.00 C ATOM 0 H ALA A 84 -0.834 14.011 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.506 14.605 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.605 16.846 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.655 15.605 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.025 16.337 -5.615 1.00 0.00 H new ATOM 1281 N GLY A 85 -4.314 15.139 -7.614 1.00 0.00 N ATOM 1282 CA GLY A 85 -4.872 15.554 -8.889 1.00 0.00 C ATOM 1283 C GLY A 85 -3.991 15.090 -10.051 1.00 0.00 C ATOM 1284 O GLY A 85 -3.923 13.898 -10.346 1.00 0.00 O ATOM 0 H GLY A 85 -4.962 14.635 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.875 15.143 -9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.968 16.640 -8.912 1.00 0.00 H new ATOM 1288 N SER A 86 -3.337 16.057 -10.678 1.00 0.00 N ATOM 1289 CA SER A 86 -2.462 15.763 -11.800 1.00 0.00 C ATOM 1290 C SER A 86 -1.069 15.383 -11.293 1.00 0.00 C ATOM 1291 O SER A 86 -0.254 14.854 -12.046 1.00 0.00 O ATOM 1292 CB SER A 86 -2.372 16.955 -12.755 1.00 0.00 C ATOM 1293 OG SER A 86 -3.052 16.708 -13.983 1.00 0.00 O ATOM 0 H SER A 86 -3.396 17.045 -10.430 1.00 0.00 H new ATOM 0 HA SER A 86 -2.883 14.922 -12.350 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.798 17.836 -12.276 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.325 17.178 -12.959 1.00 0.00 H new ATOM 0 HG SER A 86 -2.973 17.493 -14.564 1.00 0.00 H new ATOM 1299 N PHE A 87 -0.840 15.668 -10.019 1.00 0.00 N ATOM 1300 CA PHE A 87 0.439 15.363 -9.403 1.00 0.00 C ATOM 1301 C PHE A 87 0.466 13.925 -8.878 1.00 0.00 C ATOM 1302 O PHE A 87 -0.467 13.488 -8.208 1.00 0.00 O ATOM 1303 CB PHE A 87 0.610 16.326 -8.226 1.00 0.00 C ATOM 1304 CG PHE A 87 0.605 17.803 -8.625 1.00 0.00 C ATOM 1305 CD1 PHE A 87 -0.573 18.439 -8.863 1.00 0.00 C ATOM 1306 CD2 PHE A 87 1.779 18.480 -8.742 1.00 0.00 C ATOM 1307 CE1 PHE A 87 -0.578 19.809 -9.233 1.00 0.00 C ATOM 1308 CE2 PHE A 87 1.774 19.850 -9.113 1.00 0.00 C ATOM 1309 CZ PHE A 87 0.595 20.486 -9.351 1.00 0.00 C ATOM 0 H PHE A 87 -1.519 16.107 -9.397 1.00 0.00 H new ATOM 0 HA PHE A 87 1.239 15.469 -10.135 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.191 16.152 -7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.548 16.100 -7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.505 17.901 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.715 17.975 -8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.514 20.314 -9.421 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.706 20.388 -9.206 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.591 21.528 -9.634 1.00 0.00 H new ATOM 1319 N VAL A 88 1.547 13.231 -9.204 1.00 0.00 N ATOM 1320 CA VAL A 88 1.708 11.852 -8.774 1.00 0.00 C ATOM 1321 C VAL A 88 3.056 11.697 -8.067 1.00 0.00 C ATOM 1322 O VAL A 88 4.047 12.301 -8.474 1.00 0.00 O ATOM 1323 CB VAL A 88 1.547 10.910 -9.968 1.00 0.00 C ATOM 1324 CG1 VAL A 88 2.319 9.607 -9.747 1.00 0.00 C ATOM 1325 CG2 VAL A 88 0.070 10.630 -10.251 1.00 0.00 C ATOM 0 H VAL A 88 2.319 13.598 -9.760 1.00 0.00 H new ATOM 0 HA VAL A 88 0.932 11.582 -8.057 1.00 0.00 H new ATOM 0 HB VAL A 88 1.968 11.405 -10.843 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.188 8.955 -10.611 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.378 9.829 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.942 9.107 -8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.016 9.958 -11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.386 10.166 -9.377 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.442 11.566 -10.474 1.00 0.00 H new ATOM 1335 N SER A 89 3.049 10.885 -7.020 1.00 0.00 N ATOM 1336 CA SER A 89 4.259 10.642 -6.253 1.00 0.00 C ATOM 1337 C SER A 89 4.756 9.216 -6.496 1.00 0.00 C ATOM 1338 O SER A 89 3.988 8.349 -6.909 1.00 0.00 O ATOM 1339 CB SER A 89 4.019 10.873 -4.760 1.00 0.00 C ATOM 1340 OG SER A 89 3.534 9.702 -4.109 1.00 0.00 O ATOM 0 H SER A 89 2.224 10.387 -6.685 1.00 0.00 H new ATOM 0 HA SER A 89 5.022 11.347 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.949 11.191 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.302 11.684 -4.629 1.00 0.00 H new ATOM 0 HG SER A 89 2.798 9.319 -4.630 1.00 0.00 H new ATOM 1346 N ASP A 90 6.039 9.017 -6.230 1.00 0.00 N ATOM 1347 CA ASP A 90 6.648 7.711 -6.415 1.00 0.00 C ATOM 1348 C ASP A 90 6.097 6.743 -5.365 1.00 0.00 C ATOM 1349 O ASP A 90 5.639 7.167 -4.305 1.00 0.00 O ATOM 1350 CB ASP A 90 8.166 7.782 -6.243 1.00 0.00 C ATOM 1351 CG ASP A 90 8.951 8.049 -7.528 1.00 0.00 C ATOM 1352 OD1 ASP A 90 9.093 7.090 -8.317 1.00 0.00 O ATOM 1353 OD2 ASP A 90 9.392 9.207 -7.694 1.00 0.00 O ATOM 0 H ASP A 90 6.673 9.739 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 90 6.415 7.370 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.399 8.567 -5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.512 6.842 -5.812 1.00 0.00 H new ATOM 1358 N PRO A 91 6.162 5.428 -5.706 1.00 0.00 N ATOM 1359 CA PRO A 91 5.676 4.397 -4.805 1.00 0.00 C ATOM 1360 C PRO A 91 6.649 4.180 -3.644 1.00 0.00 C ATOM 1361 O PRO A 91 7.764 3.701 -3.845 1.00 0.00 O ATOM 1362 CB PRO A 91 5.506 3.163 -5.676 1.00 0.00 C ATOM 1363 CG PRO A 91 6.338 3.414 -6.923 1.00 0.00 C ATOM 1364 CD PRO A 91 6.699 4.890 -6.953 1.00 0.00 C ATOM 0 HA PRO A 91 4.733 4.665 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.844 2.268 -5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.458 3.006 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.239 2.801 -6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.778 3.140 -7.817 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.778 5.033 -7.014 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.262 5.387 -7.819 1.00 0.00 H new ATOM 1372 N SER A 92 6.191 4.543 -2.455 1.00 0.00 N ATOM 1373 CA SER A 92 7.006 4.394 -1.262 1.00 0.00 C ATOM 1374 C SER A 92 7.657 3.010 -1.242 1.00 0.00 C ATOM 1375 O SER A 92 7.405 2.189 -2.122 1.00 0.00 O ATOM 1376 CB SER A 92 6.174 4.608 0.004 1.00 0.00 C ATOM 1377 OG SER A 92 5.027 3.763 0.038 1.00 0.00 O ATOM 0 H SER A 92 5.266 4.940 -2.293 1.00 0.00 H new ATOM 0 HA SER A 92 7.786 5.155 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.792 4.416 0.881 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.859 5.650 0.059 1.00 0.00 H new ATOM 0 HG SER A 92 4.457 4.016 0.794 1.00 0.00 H new ATOM 1383 N ASN A 93 8.482 2.793 -0.228 1.00 0.00 N ATOM 1384 CA ASN A 93 9.171 1.522 -0.082 1.00 0.00 C ATOM 1385 C ASN A 93 8.189 0.381 -0.352 1.00 0.00 C ATOM 1386 O ASN A 93 6.986 0.608 -0.474 1.00 0.00 O ATOM 1387 CB ASN A 93 9.716 1.351 1.337 1.00 0.00 C ATOM 1388 CG ASN A 93 8.629 1.623 2.379 1.00 0.00 C ATOM 1389 OD1 ASN A 93 8.093 2.714 2.485 1.00 0.00 O ATOM 1390 ND2 ASN A 93 8.334 0.572 3.139 1.00 0.00 N ATOM 0 H ASN A 93 8.689 3.476 0.501 1.00 0.00 H new ATOM 0 HA ASN A 93 9.999 1.504 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.100 0.339 1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.553 2.032 1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.620 0.651 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.821 -0.313 2.997 1.00 0.00 H new ATOM 1397 N THR A 94 8.738 -0.822 -0.437 1.00 0.00 N ATOM 1398 CA THR A 94 7.925 -1.999 -0.691 1.00 0.00 C ATOM 1399 C THR A 94 7.678 -2.767 0.610 1.00 0.00 C ATOM 1400 O THR A 94 8.610 -3.025 1.369 1.00 0.00 O ATOM 1401 CB THR A 94 8.624 -2.835 -1.765 1.00 0.00 C ATOM 1402 OG1 THR A 94 9.195 -1.866 -2.641 1.00 0.00 O ATOM 1403 CG2 THR A 94 7.636 -3.599 -2.648 1.00 0.00 C ATOM 0 H THR A 94 9.736 -1.007 -0.334 1.00 0.00 H new ATOM 0 HA THR A 94 6.938 -1.724 -1.063 1.00 0.00 H new ATOM 0 HB THR A 94 9.306 -3.540 -1.290 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.670 -2.321 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.184 -4.176 -3.393 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.043 -4.274 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.975 -2.892 -3.150 1.00 0.00 H new ATOM 1411 N ALA A 95 6.416 -3.109 0.826 1.00 0.00 N ATOM 1412 CA ALA A 95 6.034 -3.842 2.022 1.00 0.00 C ATOM 1413 C ALA A 95 5.384 -5.166 1.617 1.00 0.00 C ATOM 1414 O ALA A 95 4.707 -5.242 0.594 1.00 0.00 O ATOM 1415 CB ALA A 95 5.108 -2.975 2.877 1.00 0.00 C ATOM 0 H ALA A 95 5.645 -2.892 0.194 1.00 0.00 H new ATOM 0 HA ALA A 95 6.911 -4.077 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.821 -3.524 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.627 -2.060 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.215 -2.723 2.305 1.00 0.00 H new ATOM 1421 N ASN A 96 5.614 -6.177 2.442 1.00 0.00 N ATOM 1422 CA ASN A 96 5.060 -7.495 2.183 1.00 0.00 C ATOM 1423 C ASN A 96 4.819 -8.213 3.513 1.00 0.00 C ATOM 1424 O ASN A 96 5.413 -7.858 4.530 1.00 0.00 O ATOM 1425 CB ASN A 96 6.025 -8.346 1.355 1.00 0.00 C ATOM 1426 CG ASN A 96 7.362 -8.518 2.077 1.00 0.00 C ATOM 1427 OD1 ASN A 96 7.455 -8.450 3.292 1.00 0.00 O ATOM 1428 ND2 ASN A 96 8.391 -8.744 1.265 1.00 0.00 N ATOM 0 H ASN A 96 6.176 -6.110 3.290 1.00 0.00 H new ATOM 0 HA ASN A 96 4.129 -7.366 1.631 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.582 -9.324 1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.189 -7.876 0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.326 -8.872 1.651 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.245 -8.789 0.257 1.00 0.00 H new ATOM 1435 N VAL A 97 3.946 -9.209 3.461 1.00 0.00 N ATOM 1436 CA VAL A 97 3.620 -9.979 4.649 1.00 0.00 C ATOM 1437 C VAL A 97 4.049 -11.433 4.443 1.00 0.00 C ATOM 1438 O VAL A 97 4.007 -11.944 3.325 1.00 0.00 O ATOM 1439 CB VAL A 97 2.131 -9.836 4.973 1.00 0.00 C ATOM 1440 CG1 VAL A 97 1.618 -8.446 4.588 1.00 0.00 C ATOM 1441 CG2 VAL A 97 1.313 -10.932 4.287 1.00 0.00 C ATOM 0 H VAL A 97 3.455 -9.500 2.616 1.00 0.00 H new ATOM 0 HA VAL A 97 4.166 -9.598 5.512 1.00 0.00 H new ATOM 0 HB VAL A 97 2.009 -9.952 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.558 -8.370 4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.171 -7.688 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.760 -8.289 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.259 -10.807 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.444 -10.862 3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.653 -11.909 4.631 1.00 0.00 H new ATOM 1451 N SER A 98 4.452 -12.059 5.539 1.00 0.00 N ATOM 1452 CA SER A 98 4.889 -13.444 5.493 1.00 0.00 C ATOM 1453 C SER A 98 3.875 -14.337 6.210 1.00 0.00 C ATOM 1454 O SER A 98 3.189 -13.890 7.129 1.00 0.00 O ATOM 1455 CB SER A 98 6.275 -13.605 6.119 1.00 0.00 C ATOM 1456 OG SER A 98 6.615 -14.975 6.317 1.00 0.00 O ATOM 0 H SER A 98 4.485 -11.632 6.465 1.00 0.00 H new ATOM 0 HA SER A 98 4.955 -13.747 4.448 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.020 -13.136 5.476 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.304 -13.082 7.075 1.00 0.00 H new ATOM 0 HG SER A 98 7.508 -15.036 6.717 1.00 0.00 H new