USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 35 SER OG : rot 120:sc= 0.624 USER MOD Set 1.2: A 85 SER OG : rot 123:sc= 0.74 USER MOD Set 2.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.0386 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0904 (180deg=-0.392) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.38) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -0.195 (180deg=-0.94) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.89) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 96 HIS : no HE2:sc= -0.211 K(o=-0.21,f=-1.1) USER MOD Single : A 97 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.37) USER MOD Single : A 98 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 13.700 7.214 6.025 1.00 0.00 N ATOM 67 CA PRO A 8 13.776 7.300 4.564 1.00 0.00 C ATOM 68 C PRO A 8 12.656 8.151 3.974 1.00 0.00 C ATOM 69 O PRO A 8 11.695 8.512 4.654 1.00 0.00 O ATOM 70 CB PRO A 8 13.633 5.843 4.115 1.00 0.00 C ATOM 71 CG PRO A 8 12.887 5.178 5.219 1.00 0.00 C ATOM 72 CD PRO A 8 13.317 5.868 6.484 1.00 0.00 C ATOM 0 HA PRO A 8 14.699 7.775 4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.092 5.771 3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.607 5.379 3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.811 5.268 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.116 4.113 5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.509 5.907 7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.152 5.353 6.959 1.00 0.00 H new ATOM 80 N PRO A 9 12.780 8.479 2.680 1.00 0.00 N ATOM 81 CA PRO A 9 11.786 9.291 1.971 1.00 0.00 C ATOM 82 C PRO A 9 10.474 8.544 1.757 1.00 0.00 C ATOM 83 O PRO A 9 10.468 7.338 1.512 1.00 0.00 O ATOM 84 CB PRO A 9 12.460 9.583 0.628 1.00 0.00 C ATOM 85 CG PRO A 9 13.421 8.461 0.434 1.00 0.00 C ATOM 86 CD PRO A 9 13.899 8.083 1.809 1.00 0.00 C ATOM 0 HA PRO A 9 11.516 10.186 2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.730 9.623 -0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.972 10.545 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.940 7.616 -0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.254 8.766 -0.199 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.107 7.016 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.818 8.606 2.073 1.00 0.00 H new ATOM 94 N ALA A 10 9.364 9.270 1.850 1.00 0.00 N ATOM 95 CA ALA A 10 8.046 8.676 1.664 1.00 0.00 C ATOM 96 C ALA A 10 7.920 8.040 0.284 1.00 0.00 C ATOM 97 O ALA A 10 7.941 8.732 -0.734 1.00 0.00 O ATOM 98 CB ALA A 10 6.962 9.725 1.865 1.00 0.00 C ATOM 0 H ALA A 10 9.352 10.270 2.053 1.00 0.00 H new ATOM 0 HA ALA A 10 7.920 7.891 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.983 9.268 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.031 10.130 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.095 10.529 1.141 1.00 0.00 H new ATOM 104 N VAL A 11 7.789 6.718 0.256 1.00 0.00 N ATOM 105 CA VAL A 11 7.660 5.988 -0.999 1.00 0.00 C ATOM 106 C VAL A 11 6.840 6.780 -2.013 1.00 0.00 C ATOM 107 O VAL A 11 5.816 7.371 -1.672 1.00 0.00 O ATOM 108 CB VAL A 11 7.000 4.613 -0.784 1.00 0.00 C ATOM 109 CG1 VAL A 11 7.027 3.801 -2.070 1.00 0.00 C ATOM 110 CG2 VAL A 11 7.690 3.863 0.345 1.00 0.00 C ATOM 0 H VAL A 11 7.769 6.130 1.089 1.00 0.00 H new ATOM 0 HA VAL A 11 8.669 5.842 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 11 5.958 4.768 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.556 2.833 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.484 4.336 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.060 3.652 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.211 2.894 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.741 3.716 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.613 4.441 1.266 1.00 0.00 H new ATOM 120 N SER A 12 7.299 6.786 -3.260 1.00 0.00 N ATOM 121 CA SER A 12 6.610 7.508 -4.324 1.00 0.00 C ATOM 122 C SER A 12 6.535 6.664 -5.593 1.00 0.00 C ATOM 123 O SER A 12 7.050 5.547 -5.640 1.00 0.00 O ATOM 124 CB SER A 12 7.324 8.829 -4.618 1.00 0.00 C ATOM 125 OG SER A 12 8.731 8.671 -4.563 1.00 0.00 O ATOM 0 H SER A 12 8.144 6.300 -3.559 1.00 0.00 H new ATOM 0 HA SER A 12 5.595 7.719 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.034 9.191 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.011 9.584 -3.896 1.00 0.00 H new ATOM 0 HG SER A 12 9.164 9.529 -4.756 1.00 0.00 H new ATOM 131 N ASP A 13 5.889 7.207 -6.619 1.00 0.00 N ATOM 132 CA ASP A 13 5.747 6.506 -7.890 1.00 0.00 C ATOM 133 C ASP A 13 5.326 5.056 -7.667 1.00 0.00 C ATOM 134 O ASP A 13 5.976 4.130 -8.153 1.00 0.00 O ATOM 135 CB ASP A 13 7.059 6.554 -8.674 1.00 0.00 C ATOM 136 CG ASP A 13 7.212 7.836 -9.468 1.00 0.00 C ATOM 137 OD1 ASP A 13 6.326 8.129 -10.299 1.00 0.00 O ATOM 138 OD2 ASP A 13 8.216 8.548 -9.259 1.00 0.00 O ATOM 0 H ASP A 13 5.456 8.130 -6.596 1.00 0.00 H new ATOM 0 HA ASP A 13 4.970 7.007 -8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.896 6.456 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.105 5.702 -9.352 1.00 0.00 H new ATOM 143 N ILE A 14 4.238 4.868 -6.928 1.00 0.00 N ATOM 144 CA ILE A 14 3.732 3.532 -6.641 1.00 0.00 C ATOM 145 C ILE A 14 2.815 3.040 -7.756 1.00 0.00 C ATOM 146 O ILE A 14 1.647 3.420 -7.826 1.00 0.00 O ATOM 147 CB ILE A 14 2.963 3.496 -5.307 1.00 0.00 C ATOM 148 CG1 ILE A 14 3.893 3.862 -4.148 1.00 0.00 C ATOM 149 CG2 ILE A 14 2.349 2.122 -5.087 1.00 0.00 C ATOM 150 CD1 ILE A 14 3.184 4.539 -2.996 1.00 0.00 C ATOM 0 H ILE A 14 3.690 5.624 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 14 4.599 2.875 -6.570 1.00 0.00 H new ATOM 0 HB ILE A 14 2.158 4.230 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.380 2.957 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.679 4.520 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.809 2.112 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.659 1.897 -5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.138 1.371 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.904 4.770 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.720 5.461 -3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.416 3.874 -2.600 1.00 0.00 H new ATOM 162 N ARG A 15 3.354 2.190 -8.625 1.00 0.00 N ATOM 163 CA ARG A 15 2.584 1.645 -9.737 1.00 0.00 C ATOM 164 C ARG A 15 1.776 0.429 -9.294 1.00 0.00 C ATOM 165 O ARG A 15 2.100 -0.216 -8.296 1.00 0.00 O ATOM 166 CB ARG A 15 3.515 1.260 -10.888 1.00 0.00 C ATOM 167 CG ARG A 15 4.197 2.450 -11.544 1.00 0.00 C ATOM 168 CD ARG A 15 3.295 3.111 -12.574 1.00 0.00 C ATOM 169 NE ARG A 15 3.014 2.229 -13.703 1.00 0.00 N ATOM 170 CZ ARG A 15 2.568 2.658 -14.878 1.00 0.00 C ATOM 171 NH1 ARG A 15 2.354 3.951 -15.078 1.00 0.00 N ATOM 172 NH2 ARG A 15 2.337 1.793 -15.858 1.00 0.00 N ATOM 0 H ARG A 15 4.320 1.864 -8.580 1.00 0.00 H new ATOM 0 HA ARG A 15 1.892 2.414 -10.079 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.277 0.576 -10.515 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.943 0.719 -11.642 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.474 3.178 -10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.120 2.123 -12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.358 3.403 -12.100 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.767 4.024 -12.936 1.00 0.00 H new ATOM 0 HE ARG A 15 3.169 1.228 -13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.532 4.619 -14.328 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.011 4.277 -15.982 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.502 0.798 -15.709 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.994 2.124 -16.760 1.00 0.00 H new ATOM 186 N VAL A 16 0.721 0.121 -10.042 1.00 0.00 N ATOM 187 CA VAL A 16 -0.133 -1.017 -9.727 1.00 0.00 C ATOM 188 C VAL A 16 -0.272 -1.948 -10.926 1.00 0.00 C ATOM 189 O VAL A 16 -0.995 -1.651 -11.878 1.00 0.00 O ATOM 190 CB VAL A 16 -1.535 -0.561 -9.281 1.00 0.00 C ATOM 191 CG1 VAL A 16 -2.488 -1.745 -9.218 1.00 0.00 C ATOM 192 CG2 VAL A 16 -1.462 0.148 -7.937 1.00 0.00 C ATOM 0 H VAL A 16 0.438 0.644 -10.870 1.00 0.00 H new ATOM 0 HA VAL A 16 0.345 -1.553 -8.907 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.920 0.144 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.473 -1.403 -8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.563 -2.204 -10.204 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.111 -2.478 -8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.461 0.463 -7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.056 -0.532 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.816 1.022 -8.021 1.00 0.00 H new ATOM 202 N THR A 17 0.426 -3.079 -10.875 1.00 0.00 N ATOM 203 CA THR A 17 0.381 -4.055 -11.957 1.00 0.00 C ATOM 204 C THR A 17 -0.413 -5.290 -11.551 1.00 0.00 C ATOM 205 O THR A 17 -0.664 -5.517 -10.367 1.00 0.00 O ATOM 206 CB THR A 17 1.798 -4.486 -12.383 1.00 0.00 C ATOM 207 OG1 THR A 17 1.726 -5.340 -13.529 1.00 0.00 O ATOM 208 CG2 THR A 17 2.507 -5.210 -11.248 1.00 0.00 C ATOM 0 H THR A 17 1.029 -3.341 -10.095 1.00 0.00 H new ATOM 0 HA THR A 17 -0.113 -3.571 -12.800 1.00 0.00 H new ATOM 0 HB THR A 17 2.367 -3.591 -12.633 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.630 -5.608 -13.795 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.505 -5.505 -11.572 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.586 -4.547 -10.387 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.938 -6.098 -10.971 1.00 0.00 H new ATOM 216 N ARG A 18 -0.806 -6.087 -12.539 1.00 0.00 N ATOM 217 CA ARG A 18 -1.574 -7.300 -12.284 1.00 0.00 C ATOM 218 C ARG A 18 -2.776 -7.005 -11.392 1.00 0.00 C ATOM 219 O ARG A 18 -2.979 -7.662 -10.371 1.00 0.00 O ATOM 220 CB ARG A 18 -0.687 -8.361 -11.630 1.00 0.00 C ATOM 221 CG ARG A 18 -1.120 -9.786 -11.930 1.00 0.00 C ATOM 222 CD ARG A 18 -2.275 -10.217 -11.039 1.00 0.00 C ATOM 223 NE ARG A 18 -3.570 -9.849 -11.604 1.00 0.00 N ATOM 224 CZ ARG A 18 -4.094 -10.429 -12.679 1.00 0.00 C ATOM 225 NH1 ARG A 18 -3.436 -11.398 -13.301 1.00 0.00 N ATOM 226 NH2 ARG A 18 -5.278 -10.039 -13.134 1.00 0.00 N ATOM 0 H ARG A 18 -0.605 -5.915 -13.524 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.938 -7.678 -13.239 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.340 -8.223 -11.969 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.689 -8.209 -10.551 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.417 -9.865 -12.976 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.277 -10.461 -11.786 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.237 -11.297 -10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.165 -9.759 -10.056 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.101 -9.107 -11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.525 -11.700 -12.955 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.841 -11.841 -14.126 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.787 -9.294 -12.659 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.679 -10.485 -13.959 1.00 0.00 H new ATOM 240 N SER A 19 -3.569 -6.013 -11.784 1.00 0.00 N ATOM 241 CA SER A 19 -4.748 -5.629 -11.018 1.00 0.00 C ATOM 242 C SER A 19 -5.817 -6.716 -11.083 1.00 0.00 C ATOM 243 O SER A 19 -5.974 -7.387 -12.103 1.00 0.00 O ATOM 244 CB SER A 19 -5.315 -4.308 -11.543 1.00 0.00 C ATOM 245 OG SER A 19 -5.611 -4.395 -12.926 1.00 0.00 O ATOM 0 H SER A 19 -3.416 -5.461 -12.628 1.00 0.00 H new ATOM 0 HA SER A 19 -4.449 -5.500 -9.978 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.218 -4.051 -10.990 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.597 -3.506 -11.371 1.00 0.00 H new ATOM 0 HG SER A 19 -5.973 -3.539 -13.237 1.00 0.00 H new ATOM 251 N SER A 20 -6.549 -6.884 -9.987 1.00 0.00 N ATOM 252 CA SER A 20 -7.601 -7.892 -9.916 1.00 0.00 C ATOM 253 C SER A 20 -8.846 -7.331 -9.236 1.00 0.00 C ATOM 254 O SER A 20 -8.790 -6.352 -8.491 1.00 0.00 O ATOM 255 CB SER A 20 -7.104 -9.125 -9.160 1.00 0.00 C ATOM 256 OG SER A 20 -6.448 -10.029 -10.032 1.00 0.00 O ATOM 0 H SER A 20 -6.433 -6.335 -9.135 1.00 0.00 H new ATOM 0 HA SER A 20 -7.864 -8.180 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.421 -8.819 -8.368 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.945 -9.624 -8.680 1.00 0.00 H new ATOM 0 HG SER A 20 -6.139 -10.808 -9.524 1.00 0.00 H new ATOM 262 N PRO A 21 -9.998 -7.965 -9.498 1.00 0.00 N ATOM 263 CA PRO A 21 -11.280 -7.549 -8.921 1.00 0.00 C ATOM 264 C PRO A 21 -11.357 -7.820 -7.423 1.00 0.00 C ATOM 265 O PRO A 21 -11.732 -6.945 -6.642 1.00 0.00 O ATOM 266 CB PRO A 21 -12.302 -8.405 -9.673 1.00 0.00 C ATOM 267 CG PRO A 21 -11.541 -9.610 -10.107 1.00 0.00 C ATOM 268 CD PRO A 21 -10.139 -9.139 -10.376 1.00 0.00 C ATOM 0 HA PRO A 21 -11.444 -6.476 -9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.140 -8.676 -9.031 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.715 -7.869 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.553 -10.379 -9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.983 -10.050 -11.001 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.404 -9.908 -10.139 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.998 -8.876 -11.424 1.00 0.00 H new ATOM 276 N SER A 22 -10.999 -9.038 -7.027 1.00 0.00 N ATOM 277 CA SER A 22 -11.031 -9.426 -5.622 1.00 0.00 C ATOM 278 C SER A 22 -9.700 -9.119 -4.943 1.00 0.00 C ATOM 279 O SER A 22 -9.637 -8.938 -3.727 1.00 0.00 O ATOM 280 CB SER A 22 -11.353 -10.915 -5.489 1.00 0.00 C ATOM 281 OG SER A 22 -10.330 -11.711 -6.062 1.00 0.00 O ATOM 0 H SER A 22 -10.683 -9.773 -7.660 1.00 0.00 H new ATOM 0 HA SER A 22 -11.812 -8.848 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.472 -11.172 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.303 -11.130 -5.979 1.00 0.00 H new ATOM 0 HG SER A 22 -10.559 -12.659 -5.963 1.00 0.00 H new ATOM 287 N SER A 23 -8.636 -9.063 -5.739 1.00 0.00 N ATOM 288 CA SER A 23 -7.304 -8.782 -5.216 1.00 0.00 C ATOM 289 C SER A 23 -6.699 -7.560 -5.900 1.00 0.00 C ATOM 290 O SER A 23 -7.106 -7.184 -7.000 1.00 0.00 O ATOM 291 CB SER A 23 -6.391 -9.994 -5.411 1.00 0.00 C ATOM 292 OG SER A 23 -6.954 -11.156 -4.828 1.00 0.00 O ATOM 0 H SER A 23 -8.671 -9.208 -6.748 1.00 0.00 H new ATOM 0 HA SER A 23 -7.395 -8.572 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.226 -10.161 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.417 -9.795 -4.964 1.00 0.00 H new ATOM 0 HG SER A 23 -6.352 -11.917 -4.968 1.00 0.00 H new ATOM 298 N LEU A 24 -5.725 -6.943 -5.240 1.00 0.00 N ATOM 299 CA LEU A 24 -5.062 -5.763 -5.782 1.00 0.00 C ATOM 300 C LEU A 24 -3.572 -5.775 -5.454 1.00 0.00 C ATOM 301 O LEU A 24 -3.180 -5.621 -4.297 1.00 0.00 O ATOM 302 CB LEU A 24 -5.707 -4.491 -5.228 1.00 0.00 C ATOM 303 CG LEU A 24 -7.233 -4.428 -5.297 1.00 0.00 C ATOM 304 CD1 LEU A 24 -7.756 -3.251 -4.488 1.00 0.00 C ATOM 305 CD2 LEU A 24 -7.699 -4.333 -6.742 1.00 0.00 C ATOM 0 H LEU A 24 -5.377 -7.241 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.177 -5.779 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.405 -4.378 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.303 -3.637 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.635 -5.345 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.844 -3.222 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.454 -3.362 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.346 -2.324 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.788 -4.289 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.287 -3.433 -7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.356 -5.209 -7.293 1.00 0.00 H new ATOM 317 N SER A 25 -2.747 -5.958 -6.479 1.00 0.00 N ATOM 318 CA SER A 25 -1.300 -5.992 -6.300 1.00 0.00 C ATOM 319 C SER A 25 -0.741 -4.584 -6.120 1.00 0.00 C ATOM 320 O SER A 25 -1.453 -3.594 -6.295 1.00 0.00 O ATOM 321 CB SER A 25 -0.632 -6.669 -7.498 1.00 0.00 C ATOM 322 OG SER A 25 -0.564 -8.073 -7.318 1.00 0.00 O ATOM 0 H SER A 25 -3.056 -6.085 -7.443 1.00 0.00 H new ATOM 0 HA SER A 25 -1.084 -6.567 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.191 -6.442 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.372 -6.267 -7.633 1.00 0.00 H new ATOM 0 HG SER A 25 -0.135 -8.482 -8.098 1.00 0.00 H new ATOM 328 N LEU A 26 0.538 -4.502 -5.770 1.00 0.00 N ATOM 329 CA LEU A 26 1.194 -3.215 -5.566 1.00 0.00 C ATOM 330 C LEU A 26 2.703 -3.338 -5.751 1.00 0.00 C ATOM 331 O LEU A 26 3.267 -4.424 -5.622 1.00 0.00 O ATOM 332 CB LEU A 26 0.882 -2.677 -4.169 1.00 0.00 C ATOM 333 CG LEU A 26 -0.595 -2.647 -3.775 1.00 0.00 C ATOM 334 CD1 LEU A 26 -0.746 -2.379 -2.286 1.00 0.00 C ATOM 335 CD2 LEU A 26 -1.342 -1.599 -4.586 1.00 0.00 C ATOM 0 H LEU A 26 1.141 -5.311 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 26 0.811 -2.517 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.420 -3.283 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.278 -1.664 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.029 -3.623 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.804 -2.361 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.246 -3.167 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.296 -1.417 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.392 -1.592 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.907 -0.617 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.264 -1.836 -5.647 1.00 0.00 H new ATOM 347 N ALA A 27 3.351 -2.218 -6.052 1.00 0.00 N ATOM 348 CA ALA A 27 4.795 -2.199 -6.250 1.00 0.00 C ATOM 349 C ALA A 27 5.320 -0.770 -6.328 1.00 0.00 C ATOM 350 O ALA A 27 4.799 0.052 -7.081 1.00 0.00 O ATOM 351 CB ALA A 27 5.165 -2.969 -7.509 1.00 0.00 C ATOM 0 H ALA A 27 2.898 -1.311 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 27 5.261 -2.683 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.246 -2.947 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.832 -4.003 -7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.682 -2.510 -8.371 1.00 0.00 H new ATOM 357 N TRP A 28 6.353 -0.481 -5.545 1.00 0.00 N ATOM 358 CA TRP A 28 6.948 0.850 -5.525 1.00 0.00 C ATOM 359 C TRP A 28 8.358 0.825 -6.106 1.00 0.00 C ATOM 360 O TRP A 28 8.928 -0.242 -6.330 1.00 0.00 O ATOM 361 CB TRP A 28 6.982 1.395 -4.097 1.00 0.00 C ATOM 362 CG TRP A 28 7.104 0.325 -3.055 1.00 0.00 C ATOM 363 CD1 TRP A 28 8.134 0.150 -2.175 1.00 0.00 C ATOM 364 CD2 TRP A 28 6.164 -0.721 -2.786 1.00 0.00 C ATOM 365 NE1 TRP A 28 7.891 -0.940 -1.376 1.00 0.00 N ATOM 366 CE2 TRP A 28 6.688 -1.492 -1.730 1.00 0.00 C ATOM 367 CE3 TRP A 28 4.929 -1.080 -3.333 1.00 0.00 C ATOM 368 CZ2 TRP A 28 6.019 -2.599 -1.214 1.00 0.00 C ATOM 369 CZ3 TRP A 28 4.267 -2.179 -2.820 1.00 0.00 C ATOM 370 CH2 TRP A 28 4.812 -2.927 -1.769 1.00 0.00 C ATOM 0 H TRP A 28 6.796 -1.150 -4.916 1.00 0.00 H new ATOM 0 HA TRP A 28 6.332 1.505 -6.142 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.820 2.085 -3.999 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.074 1.969 -3.913 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.011 0.777 -2.116 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.506 -1.283 -0.638 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.500 -0.508 -4.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.438 -3.178 -0.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.313 -2.466 -3.237 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.269 -3.780 -1.389 1.00 0.00 H new ATOM 381 N ALA A 29 8.915 2.007 -6.349 1.00 0.00 N ATOM 382 CA ALA A 29 10.258 2.120 -6.902 1.00 0.00 C ATOM 383 C ALA A 29 11.285 2.375 -5.803 1.00 0.00 C ATOM 384 O ALA A 29 11.248 3.407 -5.133 1.00 0.00 O ATOM 385 CB ALA A 29 10.310 3.229 -7.942 1.00 0.00 C ATOM 0 H ALA A 29 8.456 2.900 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 29 10.506 1.174 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.320 3.302 -8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.612 3.005 -8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.036 4.176 -7.478 1.00 0.00 H new ATOM 391 N VAL A 30 12.199 1.427 -5.622 1.00 0.00 N ATOM 392 CA VAL A 30 13.236 1.550 -4.605 1.00 0.00 C ATOM 393 C VAL A 30 13.724 2.989 -4.487 1.00 0.00 C ATOM 394 O VAL A 30 14.534 3.464 -5.284 1.00 0.00 O ATOM 395 CB VAL A 30 14.437 0.636 -4.914 1.00 0.00 C ATOM 396 CG1 VAL A 30 15.487 0.745 -3.819 1.00 0.00 C ATOM 397 CG2 VAL A 30 13.980 -0.805 -5.085 1.00 0.00 C ATOM 0 H VAL A 30 12.242 0.566 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 30 12.789 1.243 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 30 14.889 0.963 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.328 0.092 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.836 1.775 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.051 0.445 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.841 -1.436 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.502 -1.147 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.268 -0.866 -5.908 1.00 0.00 H new ATOM 407 N PRO A 31 13.221 3.703 -3.469 1.00 0.00 N ATOM 408 CA PRO A 31 13.592 5.100 -3.222 1.00 0.00 C ATOM 409 C PRO A 31 15.031 5.240 -2.738 1.00 0.00 C ATOM 410 O PRO A 31 15.517 4.419 -1.961 1.00 0.00 O ATOM 411 CB PRO A 31 12.614 5.538 -2.129 1.00 0.00 C ATOM 412 CG PRO A 31 12.237 4.278 -1.431 1.00 0.00 C ATOM 413 CD PRO A 31 12.251 3.202 -2.481 1.00 0.00 C ATOM 0 HA PRO A 31 13.538 5.703 -4.128 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.078 6.247 -1.443 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.740 6.032 -2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.940 4.050 -0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.251 4.365 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.558 2.241 -2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.265 3.059 -2.923 1.00 0.00 H new ATOM 421 N ARG A 32 15.707 6.286 -3.202 1.00 0.00 N ATOM 422 CA ARG A 32 17.091 6.533 -2.816 1.00 0.00 C ATOM 423 C ARG A 32 17.176 7.002 -1.366 1.00 0.00 C ATOM 424 O ARG A 32 16.696 8.082 -1.024 1.00 0.00 O ATOM 425 CB ARG A 32 17.721 7.578 -3.739 1.00 0.00 C ATOM 426 CG ARG A 32 16.986 8.908 -3.744 1.00 0.00 C ATOM 427 CD ARG A 32 17.284 9.704 -5.005 1.00 0.00 C ATOM 428 NE ARG A 32 16.463 10.909 -5.099 1.00 0.00 N ATOM 429 CZ ARG A 32 16.289 11.593 -6.224 1.00 0.00 C ATOM 430 NH1 ARG A 32 16.874 11.194 -7.345 1.00 0.00 N ATOM 431 NH2 ARG A 32 15.527 12.680 -6.230 1.00 0.00 N ATOM 0 H ARG A 32 15.319 6.976 -3.845 1.00 0.00 H new ATOM 0 HA ARG A 32 17.641 5.596 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.754 7.745 -3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.748 7.184 -4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.913 8.732 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.276 9.489 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 32 18.338 9.982 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.109 9.077 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 32 15.998 11.243 -4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.460 10.359 -7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.738 11.722 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.075 12.990 -5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.394 13.205 -7.094 1.00 0.00 H new ATOM 445 N ALA A 33 17.790 6.182 -0.520 1.00 0.00 N ATOM 446 CA ALA A 33 17.939 6.512 0.892 1.00 0.00 C ATOM 447 C ALA A 33 19.401 6.763 1.246 1.00 0.00 C ATOM 448 O ALA A 33 20.316 6.216 0.630 1.00 0.00 O ATOM 449 CB ALA A 33 17.367 5.400 1.758 1.00 0.00 C ATOM 0 H ALA A 33 18.193 5.284 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 33 17.383 7.429 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.485 5.660 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.308 5.272 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.897 4.470 1.553 1.00 0.00 H new ATOM 455 N PRO A 34 19.628 7.609 2.261 1.00 0.00 N ATOM 456 CA PRO A 34 20.978 7.951 2.720 1.00 0.00 C ATOM 457 C PRO A 34 21.669 6.781 3.411 1.00 0.00 C ATOM 458 O PRO A 34 22.839 6.870 3.782 1.00 0.00 O ATOM 459 CB PRO A 34 20.737 9.092 3.712 1.00 0.00 C ATOM 460 CG PRO A 34 19.345 8.883 4.198 1.00 0.00 C ATOM 461 CD PRO A 34 18.585 8.297 3.041 1.00 0.00 C ATOM 0 HA PRO A 34 21.634 8.219 1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.452 9.060 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.847 10.064 3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.328 8.211 5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.899 9.824 4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.812 7.605 3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 34 18.088 9.069 2.454 1.00 0.00 H new ATOM 469 N SER A 35 20.938 5.684 3.581 1.00 0.00 N ATOM 470 CA SER A 35 21.480 4.496 4.231 1.00 0.00 C ATOM 471 C SER A 35 21.724 3.384 3.215 1.00 0.00 C ATOM 472 O SER A 35 21.289 3.470 2.068 1.00 0.00 O ATOM 473 CB SER A 35 20.526 4.006 5.322 1.00 0.00 C ATOM 474 OG SER A 35 19.230 3.774 4.800 1.00 0.00 O ATOM 0 H SER A 35 19.968 5.593 3.278 1.00 0.00 H new ATOM 0 HA SER A 35 22.434 4.764 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 35 20.914 3.087 5.763 1.00 0.00 H new ATOM 0 HB3 SER A 35 20.472 4.745 6.121 1.00 0.00 H new ATOM 0 HG SER A 35 18.987 2.834 4.933 1.00 0.00 H new ATOM 480 N GLY A 36 22.423 2.339 3.648 1.00 0.00 N ATOM 481 CA GLY A 36 22.714 1.225 2.765 1.00 0.00 C ATOM 482 C GLY A 36 21.514 0.817 1.932 1.00 0.00 C ATOM 483 O GLY A 36 21.473 1.065 0.728 1.00 0.00 O ATOM 0 H GLY A 36 22.793 2.244 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 36 23.537 1.495 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 36 23.048 0.373 3.357 1.00 0.00 H new ATOM 487 N ALA A 37 20.536 0.187 2.575 1.00 0.00 N ATOM 488 CA ALA A 37 19.330 -0.256 1.886 1.00 0.00 C ATOM 489 C ALA A 37 18.081 0.085 2.692 1.00 0.00 C ATOM 490 O ALA A 37 18.170 0.624 3.795 1.00 0.00 O ATOM 491 CB ALA A 37 19.396 -1.752 1.617 1.00 0.00 C ATOM 0 H ALA A 37 20.555 -0.028 3.572 1.00 0.00 H new ATOM 0 HA ALA A 37 19.270 0.271 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.489 -2.069 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.263 -1.972 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.483 -2.288 2.562 1.00 0.00 H new ATOM 497 N VAL A 38 16.918 -0.234 2.134 1.00 0.00 N ATOM 498 CA VAL A 38 15.650 0.038 2.801 1.00 0.00 C ATOM 499 C VAL A 38 15.151 -1.190 3.555 1.00 0.00 C ATOM 500 O VAL A 38 15.090 -2.289 3.002 1.00 0.00 O ATOM 501 CB VAL A 38 14.571 0.483 1.796 1.00 0.00 C ATOM 502 CG1 VAL A 38 13.226 0.639 2.490 1.00 0.00 C ATOM 503 CG2 VAL A 38 14.981 1.779 1.114 1.00 0.00 C ATOM 0 H VAL A 38 16.827 -0.681 1.222 1.00 0.00 H new ATOM 0 HA VAL A 38 15.832 0.847 3.509 1.00 0.00 H new ATOM 0 HB VAL A 38 14.471 -0.288 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.476 0.954 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.930 -0.314 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.307 1.389 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.207 2.079 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.110 2.560 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 38 15.920 1.629 0.582 1.00 0.00 H new ATOM 513 N LEU A 39 14.795 -0.996 4.820 1.00 0.00 N ATOM 514 CA LEU A 39 14.300 -2.088 5.651 1.00 0.00 C ATOM 515 C LEU A 39 12.895 -2.502 5.227 1.00 0.00 C ATOM 516 O LEU A 39 12.360 -1.998 4.239 1.00 0.00 O ATOM 517 CB LEU A 39 14.299 -1.674 7.124 1.00 0.00 C ATOM 518 CG LEU A 39 15.660 -1.310 7.720 1.00 0.00 C ATOM 519 CD1 LEU A 39 15.484 -0.534 9.016 1.00 0.00 C ATOM 520 CD2 LEU A 39 16.492 -2.562 7.954 1.00 0.00 C ATOM 0 H LEU A 39 14.840 -0.093 5.293 1.00 0.00 H new ATOM 0 HA LEU A 39 14.965 -2.941 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.634 -0.819 7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 39 13.875 -2.490 7.710 1.00 0.00 H new ATOM 0 HG LEU A 39 16.189 -0.675 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 39 16.462 -0.284 9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.928 0.382 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 39 14.935 -1.144 9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 39 17.457 -2.284 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 15.969 -3.223 8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 39 16.648 -3.078 7.006 1.00 0.00 H new ATOM 532 N ASP A 40 12.302 -3.421 5.980 1.00 0.00 N ATOM 533 CA ASP A 40 10.957 -3.901 5.684 1.00 0.00 C ATOM 534 C ASP A 40 10.033 -2.741 5.327 1.00 0.00 C ATOM 535 O ASP A 40 10.316 -1.587 5.649 1.00 0.00 O ATOM 536 CB ASP A 40 10.392 -4.670 6.879 1.00 0.00 C ATOM 537 CG ASP A 40 10.733 -4.015 8.203 1.00 0.00 C ATOM 538 OD1 ASP A 40 10.184 -2.929 8.486 1.00 0.00 O ATOM 539 OD2 ASP A 40 11.547 -4.588 8.956 1.00 0.00 O ATOM 0 H ASP A 40 12.731 -3.849 6.800 1.00 0.00 H new ATOM 0 HA ASP A 40 11.018 -4.571 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.309 -4.743 6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.782 -5.688 6.869 1.00 0.00 H new ATOM 544 N TYR A 41 8.928 -3.055 4.660 1.00 0.00 N ATOM 545 CA TYR A 41 7.964 -2.039 4.256 1.00 0.00 C ATOM 546 C TYR A 41 6.642 -2.218 4.995 1.00 0.00 C ATOM 547 O TYR A 41 6.429 -3.223 5.672 1.00 0.00 O ATOM 548 CB TYR A 41 7.729 -2.101 2.745 1.00 0.00 C ATOM 549 CG TYR A 41 8.950 -1.745 1.927 1.00 0.00 C ATOM 550 CD1 TYR A 41 9.969 -2.668 1.728 1.00 0.00 C ATOM 551 CD2 TYR A 41 9.084 -0.486 1.355 1.00 0.00 C ATOM 552 CE1 TYR A 41 11.087 -2.347 0.982 1.00 0.00 C ATOM 553 CE2 TYR A 41 10.198 -0.157 0.606 1.00 0.00 C ATOM 554 CZ TYR A 41 11.196 -1.091 0.423 1.00 0.00 C ATOM 555 OH TYR A 41 12.307 -0.767 -0.321 1.00 0.00 O ATOM 0 H TYR A 41 8.678 -4.006 4.388 1.00 0.00 H new ATOM 0 HA TYR A 41 8.374 -1.063 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.403 -3.106 2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.917 -1.423 2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.886 -3.653 2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.305 0.248 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.871 -3.076 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.286 0.826 0.167 1.00 0.00 H new ATOM 0 HH TYR A 41 12.227 0.155 -0.644 1.00 0.00 H new ATOM 565 N GLU A 42 5.757 -1.235 4.859 1.00 0.00 N ATOM 566 CA GLU A 42 4.455 -1.284 5.515 1.00 0.00 C ATOM 567 C GLU A 42 3.355 -0.800 4.575 1.00 0.00 C ATOM 568 O GLU A 42 3.424 0.305 4.037 1.00 0.00 O ATOM 569 CB GLU A 42 4.467 -0.432 6.786 1.00 0.00 C ATOM 570 CG GLU A 42 3.517 -0.930 7.861 1.00 0.00 C ATOM 571 CD GLU A 42 3.814 -0.333 9.224 1.00 0.00 C ATOM 572 OE1 GLU A 42 3.727 0.905 9.360 1.00 0.00 O ATOM 573 OE2 GLU A 42 4.133 -1.104 10.153 1.00 0.00 O ATOM 0 H GLU A 42 5.918 -0.396 4.301 1.00 0.00 H new ATOM 0 HA GLU A 42 4.250 -2.320 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.479 -0.410 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.205 0.594 6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.493 -0.687 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.581 -2.016 7.922 1.00 0.00 H new ATOM 580 N VAL A 43 2.339 -1.635 4.382 1.00 0.00 N ATOM 581 CA VAL A 43 1.223 -1.294 3.509 1.00 0.00 C ATOM 582 C VAL A 43 -0.061 -1.101 4.307 1.00 0.00 C ATOM 583 O VAL A 43 -0.523 -2.014 4.991 1.00 0.00 O ATOM 584 CB VAL A 43 0.993 -2.380 2.441 1.00 0.00 C ATOM 585 CG1 VAL A 43 -0.189 -2.017 1.556 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.250 -2.585 1.610 1.00 0.00 C ATOM 0 H VAL A 43 2.266 -2.554 4.819 1.00 0.00 H new ATOM 0 HA VAL A 43 1.483 -0.358 3.014 1.00 0.00 H new ATOM 0 HB VAL A 43 0.763 -3.318 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.336 -2.796 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.087 -1.927 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.008 -1.068 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.069 -3.356 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.514 -1.651 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.069 -2.895 2.259 1.00 0.00 H new ATOM 596 N LYS A 44 -0.634 0.094 4.216 1.00 0.00 N ATOM 597 CA LYS A 44 -1.867 0.409 4.928 1.00 0.00 C ATOM 598 C LYS A 44 -2.968 0.818 3.955 1.00 0.00 C ATOM 599 O LYS A 44 -2.898 1.879 3.334 1.00 0.00 O ATOM 600 CB LYS A 44 -1.623 1.530 5.940 1.00 0.00 C ATOM 601 CG LYS A 44 -2.897 2.077 6.561 1.00 0.00 C ATOM 602 CD LYS A 44 -2.691 3.477 7.115 1.00 0.00 C ATOM 603 CE LYS A 44 -2.226 3.439 8.563 1.00 0.00 C ATOM 604 NZ LYS A 44 -3.372 3.428 9.514 1.00 0.00 N ATOM 0 H LYS A 44 -0.264 0.861 3.655 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.190 -0.487 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.973 1.158 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.091 2.344 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.689 2.094 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.227 1.413 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.955 4.005 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.623 4.038 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.612 2.553 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.595 4.305 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.029 3.640 10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.067 4.147 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.821 2.490 9.506 1.00 0.00 H new ATOM 618 N TYR A 45 -3.984 -0.028 3.829 1.00 0.00 N ATOM 619 CA TYR A 45 -5.099 0.246 2.931 1.00 0.00 C ATOM 620 C TYR A 45 -6.419 0.280 3.695 1.00 0.00 C ATOM 621 O TYR A 45 -6.660 -0.545 4.577 1.00 0.00 O ATOM 622 CB TYR A 45 -5.164 -0.810 1.826 1.00 0.00 C ATOM 623 CG TYR A 45 -5.303 -2.223 2.348 1.00 0.00 C ATOM 624 CD1 TYR A 45 -4.229 -2.873 2.943 1.00 0.00 C ATOM 625 CD2 TYR A 45 -6.508 -2.907 2.245 1.00 0.00 C ATOM 626 CE1 TYR A 45 -4.351 -4.164 3.420 1.00 0.00 C ATOM 627 CE2 TYR A 45 -6.639 -4.197 2.720 1.00 0.00 C ATOM 628 CZ TYR A 45 -5.558 -4.822 3.306 1.00 0.00 C ATOM 629 OH TYR A 45 -5.684 -6.107 3.781 1.00 0.00 O ATOM 0 H TYR A 45 -4.058 -0.909 4.337 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.936 1.225 2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.007 -0.588 1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.262 -0.743 1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.283 -2.361 3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.356 -2.422 1.786 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.506 -4.655 3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.583 -4.714 2.633 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.597 -6.426 3.624 1.00 0.00 H new ATOM 639 N HIS A 46 -7.271 1.240 3.350 1.00 0.00 N ATOM 640 CA HIS A 46 -8.568 1.382 4.003 1.00 0.00 C ATOM 641 C HIS A 46 -9.582 2.026 3.062 1.00 0.00 C ATOM 642 O HIS A 46 -9.241 2.916 2.284 1.00 0.00 O ATOM 643 CB HIS A 46 -8.433 2.219 5.276 1.00 0.00 C ATOM 644 CG HIS A 46 -8.536 3.694 5.037 1.00 0.00 C ATOM 645 ND1 HIS A 46 -7.560 4.421 4.390 1.00 0.00 N ATOM 646 CD2 HIS A 46 -9.509 4.577 5.362 1.00 0.00 C ATOM 647 CE1 HIS A 46 -7.927 5.689 4.328 1.00 0.00 C ATOM 648 NE2 HIS A 46 -9.106 5.810 4.911 1.00 0.00 N ATOM 0 H HIS A 46 -7.087 1.931 2.622 1.00 0.00 H new ATOM 0 HA HIS A 46 -8.925 0.387 4.268 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.207 1.919 5.982 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.473 2.001 5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -10.430 4.354 5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.360 6.490 3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.632 6.678 5.010 1.00 0.00 H new ATOM 657 N GLU A 47 -10.828 1.569 3.140 1.00 0.00 N ATOM 658 CA GLU A 47 -11.890 2.100 2.293 1.00 0.00 C ATOM 659 C GLU A 47 -11.914 3.625 2.343 1.00 0.00 C ATOM 660 O GLU A 47 -11.432 4.235 3.299 1.00 0.00 O ATOM 661 CB GLU A 47 -13.247 1.543 2.730 1.00 0.00 C ATOM 662 CG GLU A 47 -14.258 1.449 1.599 1.00 0.00 C ATOM 663 CD GLU A 47 -15.665 1.181 2.096 1.00 0.00 C ATOM 664 OE1 GLU A 47 -16.028 1.717 3.164 1.00 0.00 O ATOM 665 OE2 GLU A 47 -16.403 0.437 1.418 1.00 0.00 O ATOM 0 H GLU A 47 -11.127 0.833 3.780 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.691 1.790 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.102 0.552 3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.654 2.176 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.249 2.379 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.960 0.654 0.916 1.00 0.00 H new ATOM 672 N LYS A 48 -12.477 4.236 1.307 1.00 0.00 N ATOM 673 CA LYS A 48 -12.566 5.690 1.230 1.00 0.00 C ATOM 674 C LYS A 48 -13.414 6.244 2.371 1.00 0.00 C ATOM 675 O LYS A 48 -12.934 7.025 3.191 1.00 0.00 O ATOM 676 CB LYS A 48 -13.160 6.115 -0.114 1.00 0.00 C ATOM 677 CG LYS A 48 -13.364 7.615 -0.242 1.00 0.00 C ATOM 678 CD LYS A 48 -13.316 8.062 -1.694 1.00 0.00 C ATOM 679 CE LYS A 48 -13.280 9.578 -1.809 1.00 0.00 C ATOM 680 NZ LYS A 48 -12.929 10.022 -3.186 1.00 0.00 N ATOM 0 H LYS A 48 -12.879 3.747 0.508 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.558 6.096 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.503 5.776 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.118 5.613 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.325 7.891 0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.595 8.138 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.436 7.638 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.187 7.676 -2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.252 9.986 -1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.553 9.979 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.915 11.061 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.990 9.654 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.636 9.661 -3.858 1.00 0.00 H new ATOM 769 N VAL A 56 -9.070 0.107 8.933 1.00 0.00 N ATOM 770 CA VAL A 56 -7.819 0.042 8.187 1.00 0.00 C ATOM 771 C VAL A 56 -7.026 -1.208 8.553 1.00 0.00 C ATOM 772 O VAL A 56 -7.006 -1.626 9.711 1.00 0.00 O ATOM 773 CB VAL A 56 -6.946 1.284 8.446 1.00 0.00 C ATOM 774 CG1 VAL A 56 -6.625 1.413 9.927 1.00 0.00 C ATOM 775 CG2 VAL A 56 -5.670 1.220 7.619 1.00 0.00 C ATOM 0 HA VAL A 56 -8.082 0.006 7.130 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.505 2.169 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.007 2.296 10.090 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.552 1.509 10.493 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.086 0.527 10.261 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.065 2.105 7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.105 0.328 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.924 1.181 6.560 1.00 0.00 H new ATOM 785 N ARG A 57 -6.373 -1.800 7.558 1.00 0.00 N ATOM 786 CA ARG A 57 -5.578 -3.003 7.775 1.00 0.00 C ATOM 787 C ARG A 57 -4.089 -2.703 7.636 1.00 0.00 C ATOM 788 O ARG A 57 -3.701 -1.622 7.191 1.00 0.00 O ATOM 789 CB ARG A 57 -5.984 -4.094 6.782 1.00 0.00 C ATOM 790 CG ARG A 57 -7.226 -4.865 7.199 1.00 0.00 C ATOM 791 CD ARG A 57 -6.894 -5.949 8.212 1.00 0.00 C ATOM 792 NE ARG A 57 -8.017 -6.857 8.430 1.00 0.00 N ATOM 793 CZ ARG A 57 -8.107 -7.679 9.470 1.00 0.00 C ATOM 794 NH1 ARG A 57 -7.146 -7.706 10.382 1.00 0.00 N ATOM 795 NH2 ARG A 57 -9.160 -8.475 9.598 1.00 0.00 N ATOM 0 H ARG A 57 -6.379 -1.466 6.594 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.767 -3.355 8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.159 -3.639 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.156 -4.792 6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.956 -4.178 7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.688 -5.315 6.321 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.031 -6.517 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.612 -5.487 9.158 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.774 -6.860 7.746 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.335 -7.095 10.286 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.217 -8.338 11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.901 -8.456 8.898 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.228 -9.106 10.397 1.00 0.00 H new ATOM 809 N PHE A 58 -3.258 -3.666 8.019 1.00 0.00 N ATOM 810 CA PHE A 58 -1.811 -3.505 7.939 1.00 0.00 C ATOM 811 C PHE A 58 -1.159 -4.743 7.330 1.00 0.00 C ATOM 812 O PHE A 58 -1.599 -5.869 7.562 1.00 0.00 O ATOM 813 CB PHE A 58 -1.228 -3.239 9.328 1.00 0.00 C ATOM 814 CG PHE A 58 -1.228 -1.787 9.710 1.00 0.00 C ATOM 815 CD1 PHE A 58 -2.415 -1.077 9.789 1.00 0.00 C ATOM 816 CD2 PHE A 58 -0.040 -1.131 9.991 1.00 0.00 C ATOM 817 CE1 PHE A 58 -2.417 0.260 10.140 1.00 0.00 C ATOM 818 CE2 PHE A 58 -0.036 0.206 10.343 1.00 0.00 C ATOM 819 CZ PHE A 58 -1.226 0.902 10.418 1.00 0.00 C ATOM 0 H PHE A 58 -3.562 -4.567 8.388 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.601 -2.651 7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.800 -3.801 10.067 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.206 -3.615 9.362 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.350 -1.574 9.574 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.894 -1.671 9.934 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.349 0.802 10.197 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.897 0.705 10.559 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.226 1.946 10.693 1.00 0.00 H new ATOM 829 N LEU A 59 -0.106 -4.525 6.548 1.00 0.00 N ATOM 830 CA LEU A 59 0.608 -5.622 5.904 1.00 0.00 C ATOM 831 C LEU A 59 2.099 -5.319 5.808 1.00 0.00 C ATOM 832 O LEU A 59 2.508 -4.363 5.149 1.00 0.00 O ATOM 833 CB LEU A 59 0.037 -5.879 4.509 1.00 0.00 C ATOM 834 CG LEU A 59 0.896 -6.737 3.579 1.00 0.00 C ATOM 835 CD1 LEU A 59 0.603 -8.214 3.793 1.00 0.00 C ATOM 836 CD2 LEU A 59 0.660 -6.350 2.127 1.00 0.00 C ATOM 0 H LEU A 59 0.271 -3.599 6.345 1.00 0.00 H new ATOM 0 HA LEU A 59 0.476 -6.516 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.935 -6.360 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.136 -4.917 4.026 1.00 0.00 H new ATOM 0 HG LEU A 59 1.945 -6.557 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.223 -8.809 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.824 -8.483 4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.449 -8.410 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.279 -6.971 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.390 -6.500 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.921 -5.302 1.983 1.00 0.00 H new ATOM 848 N LYS A 60 2.909 -6.140 6.468 1.00 0.00 N ATOM 849 CA LYS A 60 4.356 -5.963 6.454 1.00 0.00 C ATOM 850 C LYS A 60 5.009 -6.897 5.441 1.00 0.00 C ATOM 851 O LYS A 60 4.766 -8.104 5.445 1.00 0.00 O ATOM 852 CB LYS A 60 4.935 -6.220 7.848 1.00 0.00 C ATOM 853 CG LYS A 60 4.663 -5.099 8.836 1.00 0.00 C ATOM 854 CD LYS A 60 4.669 -5.605 10.269 1.00 0.00 C ATOM 855 CE LYS A 60 4.928 -4.478 11.257 1.00 0.00 C ATOM 856 NZ LYS A 60 5.304 -4.996 12.602 1.00 0.00 N ATOM 0 H LYS A 60 2.587 -6.935 7.020 1.00 0.00 H new ATOM 0 HA LYS A 60 4.568 -4.934 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.518 -7.148 8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.012 -6.365 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.417 -4.320 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.698 -4.643 8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.712 -6.075 10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.435 -6.372 10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.725 -3.839 10.878 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.036 -3.858 11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.472 -4.198 13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.533 -5.586 12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.170 -5.567 12.525 1.00 0.00 H new ATOM 870 N THR A 61 5.842 -6.331 4.572 1.00 0.00 N ATOM 871 CA THR A 61 6.530 -7.112 3.553 1.00 0.00 C ATOM 872 C THR A 61 7.943 -6.590 3.320 1.00 0.00 C ATOM 873 O THR A 61 8.144 -5.400 3.080 1.00 0.00 O ATOM 874 CB THR A 61 5.763 -7.095 2.217 1.00 0.00 C ATOM 875 OG1 THR A 61 6.564 -7.679 1.184 1.00 0.00 O ATOM 876 CG2 THR A 61 5.384 -5.673 1.830 1.00 0.00 C ATOM 0 H THR A 61 6.056 -5.334 4.555 1.00 0.00 H new ATOM 0 HA THR A 61 6.580 -8.136 3.922 1.00 0.00 H new ATOM 0 HB THR A 61 4.850 -7.677 2.340 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.068 -7.665 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.843 -5.685 0.884 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.750 -5.242 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.287 -5.072 1.724 1.00 0.00 H new ATOM 884 N SER A 62 8.921 -7.488 3.393 1.00 0.00 N ATOM 885 CA SER A 62 10.316 -7.117 3.193 1.00 0.00 C ATOM 886 C SER A 62 10.583 -6.771 1.731 1.00 0.00 C ATOM 887 O SER A 62 11.639 -6.238 1.391 1.00 0.00 O ATOM 888 CB SER A 62 11.237 -8.255 3.636 1.00 0.00 C ATOM 889 OG SER A 62 11.000 -9.428 2.878 1.00 0.00 O ATOM 0 H SER A 62 8.772 -8.478 3.589 1.00 0.00 H new ATOM 0 HA SER A 62 10.522 -6.235 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.277 -7.950 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.079 -8.464 4.694 1.00 0.00 H new ATOM 0 HG SER A 62 11.602 -10.140 3.180 1.00 0.00 H new ATOM 895 N GLU A 63 9.618 -7.080 0.871 1.00 0.00 N ATOM 896 CA GLU A 63 9.748 -6.804 -0.555 1.00 0.00 C ATOM 897 C GLU A 63 9.004 -5.526 -0.931 1.00 0.00 C ATOM 898 O GLU A 63 8.127 -5.067 -0.200 1.00 0.00 O ATOM 899 CB GLU A 63 9.214 -7.979 -1.376 1.00 0.00 C ATOM 900 CG GLU A 63 10.257 -9.047 -1.660 1.00 0.00 C ATOM 901 CD GLU A 63 9.652 -10.430 -1.800 1.00 0.00 C ATOM 902 OE1 GLU A 63 9.173 -10.975 -0.784 1.00 0.00 O ATOM 903 OE2 GLU A 63 9.659 -10.968 -2.927 1.00 0.00 O ATOM 0 H GLU A 63 8.738 -7.522 1.137 1.00 0.00 H new ATOM 0 HA GLU A 63 10.806 -6.667 -0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.377 -8.432 -0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.824 -7.603 -2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.791 -8.794 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.992 -9.056 -0.855 1.00 0.00 H new ATOM 910 N ASN A 64 9.362 -4.956 -2.078 1.00 0.00 N ATOM 911 CA ASN A 64 8.729 -3.730 -2.552 1.00 0.00 C ATOM 912 C ASN A 64 7.467 -4.043 -3.351 1.00 0.00 C ATOM 913 O ASN A 64 7.025 -3.240 -4.172 1.00 0.00 O ATOM 914 CB ASN A 64 9.706 -2.928 -3.414 1.00 0.00 C ATOM 915 CG ASN A 64 9.913 -3.547 -4.782 1.00 0.00 C ATOM 916 OD1 ASN A 64 9.659 -4.735 -4.983 1.00 0.00 O ATOM 917 ND2 ASN A 64 10.376 -2.743 -5.732 1.00 0.00 N ATOM 0 H ASN A 64 10.086 -5.323 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 64 8.449 -3.135 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.332 -1.911 -3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.665 -2.858 -2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.535 -3.104 -6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.573 -1.765 -5.521 1.00 0.00 H new ATOM 924 N ARG A 65 6.893 -5.216 -3.103 1.00 0.00 N ATOM 925 CA ARG A 65 5.682 -5.635 -3.800 1.00 0.00 C ATOM 926 C ARG A 65 4.867 -6.598 -2.941 1.00 0.00 C ATOM 927 O ARG A 65 5.424 -7.401 -2.193 1.00 0.00 O ATOM 928 CB ARG A 65 6.039 -6.299 -5.131 1.00 0.00 C ATOM 929 CG ARG A 65 7.039 -7.435 -4.997 1.00 0.00 C ATOM 930 CD ARG A 65 7.618 -7.830 -6.346 1.00 0.00 C ATOM 931 NE ARG A 65 6.629 -8.489 -7.195 1.00 0.00 N ATOM 932 CZ ARG A 65 6.875 -8.887 -8.438 1.00 0.00 C ATOM 933 NH1 ARG A 65 8.072 -8.693 -8.975 1.00 0.00 N ATOM 934 NH2 ARG A 65 5.923 -9.480 -9.147 1.00 0.00 N ATOM 0 H ARG A 65 7.246 -5.892 -2.426 1.00 0.00 H new ATOM 0 HA ARG A 65 5.078 -4.748 -3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.128 -6.681 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.446 -5.546 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.845 -7.134 -4.328 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.552 -8.298 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.996 -6.942 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.467 -8.496 -6.195 1.00 0.00 H new ATOM 0 HE ARG A 65 5.698 -8.653 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.806 -8.237 -8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.258 -9.000 -9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.001 -9.631 -8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.113 -9.785 -10.102 1.00 0.00 H new ATOM 948 N ALA A 66 3.546 -6.510 -3.054 1.00 0.00 N ATOM 949 CA ALA A 66 2.655 -7.374 -2.290 1.00 0.00 C ATOM 950 C ALA A 66 1.379 -7.675 -3.070 1.00 0.00 C ATOM 951 O ALA A 66 1.126 -7.077 -4.116 1.00 0.00 O ATOM 952 CB ALA A 66 2.318 -6.733 -0.952 1.00 0.00 C ATOM 0 H ALA A 66 3.069 -5.849 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 66 3.171 -8.317 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.652 -7.389 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.234 -6.575 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.826 -5.775 -1.121 1.00 0.00 H new ATOM 958 N GLU A 67 0.581 -8.605 -2.555 1.00 0.00 N ATOM 959 CA GLU A 67 -0.667 -8.985 -3.206 1.00 0.00 C ATOM 960 C GLU A 67 -1.825 -8.968 -2.213 1.00 0.00 C ATOM 961 O GLU A 67 -2.019 -9.917 -1.452 1.00 0.00 O ATOM 962 CB GLU A 67 -0.538 -10.375 -3.833 1.00 0.00 C ATOM 963 CG GLU A 67 -1.823 -10.876 -4.471 1.00 0.00 C ATOM 964 CD GLU A 67 -1.591 -12.043 -5.411 1.00 0.00 C ATOM 965 OE1 GLU A 67 -1.035 -11.822 -6.506 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.966 -13.179 -5.050 1.00 0.00 O ATOM 0 H GLU A 67 0.776 -9.109 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.874 -8.258 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.248 -10.352 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.223 -11.083 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.519 -11.177 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.294 -10.060 -5.020 1.00 0.00 H new ATOM 973 N LEU A 68 -2.592 -7.884 -2.226 1.00 0.00 N ATOM 974 CA LEU A 68 -3.732 -7.741 -1.327 1.00 0.00 C ATOM 975 C LEU A 68 -4.919 -8.562 -1.819 1.00 0.00 C ATOM 976 O LEU A 68 -5.514 -8.254 -2.852 1.00 0.00 O ATOM 977 CB LEU A 68 -4.130 -6.269 -1.204 1.00 0.00 C ATOM 978 CG LEU A 68 -3.039 -5.317 -0.714 1.00 0.00 C ATOM 979 CD1 LEU A 68 -3.454 -3.871 -0.932 1.00 0.00 C ATOM 980 CD2 LEU A 68 -2.731 -5.570 0.755 1.00 0.00 C ATOM 0 H LEU A 68 -2.445 -7.090 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.438 -8.113 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.474 -5.924 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.978 -6.198 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.134 -5.504 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.665 -3.208 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.623 -3.697 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.372 -3.669 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.952 -4.883 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.632 -5.411 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.388 -6.597 0.883 1.00 0.00 H new ATOM 992 N ARG A 69 -5.261 -9.607 -1.071 1.00 0.00 N ATOM 993 CA ARG A 69 -6.379 -10.471 -1.431 1.00 0.00 C ATOM 994 C ARG A 69 -7.627 -10.107 -0.632 1.00 0.00 C ATOM 995 O ARG A 69 -7.579 -9.264 0.263 1.00 0.00 O ATOM 996 CB ARG A 69 -6.015 -11.937 -1.190 1.00 0.00 C ATOM 997 CG ARG A 69 -4.913 -12.450 -2.102 1.00 0.00 C ATOM 998 CD ARG A 69 -4.298 -13.733 -1.566 1.00 0.00 C ATOM 999 NE ARG A 69 -3.326 -13.473 -0.508 1.00 0.00 N ATOM 1000 CZ ARG A 69 -2.572 -14.417 0.045 1.00 0.00 C ATOM 1001 NH1 ARG A 69 -2.677 -15.676 -0.358 1.00 0.00 N ATOM 1002 NH2 ARG A 69 -1.710 -14.102 1.003 1.00 0.00 N ATOM 0 H ARG A 69 -4.780 -9.875 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.592 -10.326 -2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.703 -12.059 -0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.905 -12.551 -1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.317 -12.628 -3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.139 -11.689 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.087 -14.381 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.812 -14.270 -2.381 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.220 -12.515 -0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.338 -15.922 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.097 -16.398 0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.626 -13.135 1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.131 -14.827 1.427 1.00 0.00 H new ATOM 1016 N GLY A 70 -8.743 -10.748 -0.963 1.00 0.00 N ATOM 1017 CA GLY A 70 -9.988 -10.478 -0.268 1.00 0.00 C ATOM 1018 C GLY A 70 -10.296 -8.996 -0.185 1.00 0.00 C ATOM 1019 O GLY A 70 -9.985 -8.345 0.813 1.00 0.00 O ATOM 0 H GLY A 70 -8.807 -11.450 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.804 -10.987 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.936 -10.892 0.739 1.00 0.00 H new ATOM 1023 N LEU A 71 -10.907 -8.461 -1.237 1.00 0.00 N ATOM 1024 CA LEU A 71 -11.256 -7.045 -1.280 1.00 0.00 C ATOM 1025 C LEU A 71 -12.547 -6.826 -2.062 1.00 0.00 C ATOM 1026 O LEU A 71 -13.184 -7.779 -2.509 1.00 0.00 O ATOM 1027 CB LEU A 71 -10.120 -6.239 -1.912 1.00 0.00 C ATOM 1028 CG LEU A 71 -8.755 -6.355 -1.232 1.00 0.00 C ATOM 1029 CD1 LEU A 71 -7.645 -5.950 -2.190 1.00 0.00 C ATOM 1030 CD2 LEU A 71 -8.712 -5.502 0.027 1.00 0.00 C ATOM 0 H LEU A 71 -11.171 -8.986 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.411 -6.703 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.014 -6.552 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.410 -5.188 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.600 -7.396 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.681 -6.039 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.662 -6.603 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.796 -4.918 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.733 -5.597 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.889 -4.459 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.482 -5.838 0.721 1.00 0.00 H new ATOM 1042 N LYS A 72 -12.926 -5.563 -2.226 1.00 0.00 N ATOM 1043 CA LYS A 72 -14.138 -5.216 -2.958 1.00 0.00 C ATOM 1044 C LYS A 72 -13.820 -4.307 -4.140 1.00 0.00 C ATOM 1045 O LYS A 72 -12.833 -3.571 -4.120 1.00 0.00 O ATOM 1046 CB LYS A 72 -15.141 -4.530 -2.028 1.00 0.00 C ATOM 1047 CG LYS A 72 -15.650 -5.427 -0.913 1.00 0.00 C ATOM 1048 CD LYS A 72 -16.296 -4.621 0.201 1.00 0.00 C ATOM 1049 CE LYS A 72 -17.376 -5.420 0.914 1.00 0.00 C ATOM 1050 NZ LYS A 72 -18.469 -5.825 -0.012 1.00 0.00 N ATOM 0 H LYS A 72 -12.410 -4.762 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.577 -6.137 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.673 -3.649 -1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.989 -4.180 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.373 -6.136 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.823 -6.011 -0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.535 -4.315 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.729 -3.710 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.933 -6.309 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.791 -4.825 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.356 -5.925 0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.587 -5.100 -0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.228 -6.734 -0.457 1.00 0.00 H new ATOM 1064 N ARG A 73 -14.662 -4.361 -5.167 1.00 0.00 N ATOM 1065 CA ARG A 73 -14.469 -3.541 -6.357 1.00 0.00 C ATOM 1066 C ARG A 73 -15.280 -2.252 -6.266 1.00 0.00 C ATOM 1067 O ARG A 73 -16.349 -2.220 -5.658 1.00 0.00 O ATOM 1068 CB ARG A 73 -14.871 -4.322 -7.610 1.00 0.00 C ATOM 1069 CG ARG A 73 -14.038 -5.572 -7.842 1.00 0.00 C ATOM 1070 CD ARG A 73 -14.611 -6.769 -7.100 1.00 0.00 C ATOM 1071 NE ARG A 73 -15.962 -7.096 -7.548 1.00 0.00 N ATOM 1072 CZ ARG A 73 -16.728 -8.012 -6.966 1.00 0.00 C ATOM 1073 NH1 ARG A 73 -16.279 -8.688 -5.918 1.00 0.00 N ATOM 1074 NH2 ARG A 73 -17.947 -8.252 -7.432 1.00 0.00 N ATOM 0 H ARG A 73 -15.484 -4.964 -5.199 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.412 -3.281 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -15.921 -4.605 -7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.782 -3.670 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.996 -5.790 -8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.014 -5.395 -7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -13.961 -7.632 -7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.625 -6.560 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.338 -6.593 -8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.343 -8.505 -5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.870 -9.391 -5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.296 -7.733 -8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.535 -8.956 -6.985 1.00 0.00 H new ATOM 1088 N GLY A 74 -14.762 -1.189 -6.874 1.00 0.00 N ATOM 1089 CA GLY A 74 -15.450 0.088 -6.849 1.00 0.00 C ATOM 1090 C GLY A 74 -15.227 0.842 -5.553 1.00 0.00 C ATOM 1091 O GLY A 74 -15.059 2.061 -5.557 1.00 0.00 O ATOM 0 H GLY A 74 -13.878 -1.190 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.107 0.698 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -16.518 -0.076 -6.991 1.00 0.00 H new ATOM 1095 N ALA A 75 -15.227 0.115 -4.441 1.00 0.00 N ATOM 1096 CA ALA A 75 -15.023 0.722 -3.131 1.00 0.00 C ATOM 1097 C ALA A 75 -13.648 1.374 -3.037 1.00 0.00 C ATOM 1098 O ALA A 75 -12.669 0.730 -2.658 1.00 0.00 O ATOM 1099 CB ALA A 75 -15.192 -0.319 -2.035 1.00 0.00 C ATOM 0 H ALA A 75 -15.366 -0.895 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 75 -15.775 1.500 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.037 0.148 -1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -16.198 -0.736 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.462 -1.116 -2.175 1.00 0.00 H new ATOM 1105 N SER A 76 -13.580 2.655 -3.384 1.00 0.00 N ATOM 1106 CA SER A 76 -12.323 3.393 -3.342 1.00 0.00 C ATOM 1107 C SER A 76 -11.454 2.921 -2.180 1.00 0.00 C ATOM 1108 O SER A 76 -11.891 2.907 -1.029 1.00 0.00 O ATOM 1109 CB SER A 76 -12.592 4.894 -3.216 1.00 0.00 C ATOM 1110 OG SER A 76 -12.804 5.483 -4.487 1.00 0.00 O ATOM 0 H SER A 76 -14.381 3.204 -3.697 1.00 0.00 H new ATOM 0 HA SER A 76 -11.788 3.204 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.466 5.058 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.748 5.378 -2.724 1.00 0.00 H new ATOM 0 HG SER A 76 -12.975 6.442 -4.379 1.00 0.00 H new ATOM 1116 N TYR A 77 -10.222 2.535 -2.490 1.00 0.00 N ATOM 1117 CA TYR A 77 -9.291 2.060 -1.473 1.00 0.00 C ATOM 1118 C TYR A 77 -8.007 2.883 -1.483 1.00 0.00 C ATOM 1119 O TYR A 77 -7.206 2.796 -2.414 1.00 0.00 O ATOM 1120 CB TYR A 77 -8.965 0.583 -1.701 1.00 0.00 C ATOM 1121 CG TYR A 77 -9.986 -0.361 -1.109 1.00 0.00 C ATOM 1122 CD1 TYR A 77 -10.106 -0.513 0.267 1.00 0.00 C ATOM 1123 CD2 TYR A 77 -10.832 -1.102 -1.926 1.00 0.00 C ATOM 1124 CE1 TYR A 77 -11.037 -1.375 0.812 1.00 0.00 C ATOM 1125 CE2 TYR A 77 -11.767 -1.965 -1.389 1.00 0.00 C ATOM 1126 CZ TYR A 77 -11.866 -2.098 -0.019 1.00 0.00 C ATOM 1127 OH TYR A 77 -12.796 -2.958 0.519 1.00 0.00 O ATOM 0 H TYR A 77 -9.844 2.542 -3.437 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.767 2.174 -0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.890 0.398 -2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.988 0.365 -1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.460 0.053 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.757 -1.001 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.115 -1.482 1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.417 -2.533 -2.038 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.082 -2.624 1.395 1.00 0.00 H new ATOM 1137 N LEU A 78 -7.817 3.683 -0.439 1.00 0.00 N ATOM 1138 CA LEU A 78 -6.630 4.523 -0.324 1.00 0.00 C ATOM 1139 C LEU A 78 -5.430 3.708 0.148 1.00 0.00 C ATOM 1140 O LEU A 78 -5.313 3.383 1.330 1.00 0.00 O ATOM 1141 CB LEU A 78 -6.890 5.678 0.644 1.00 0.00 C ATOM 1142 CG LEU A 78 -7.993 6.657 0.241 1.00 0.00 C ATOM 1143 CD1 LEU A 78 -8.451 7.469 1.442 1.00 0.00 C ATOM 1144 CD2 LEU A 78 -7.510 7.575 -0.872 1.00 0.00 C ATOM 0 H LEU A 78 -8.470 3.767 0.340 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.405 4.928 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.142 5.259 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.963 6.238 0.768 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.843 6.084 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.236 8.160 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.837 6.798 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.608 8.032 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.308 8.265 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.644 8.140 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.232 6.978 -1.741 1.00 0.00 H new ATOM 1156 N VAL A 79 -4.539 3.382 -0.783 1.00 0.00 N ATOM 1157 CA VAL A 79 -3.345 2.609 -0.462 1.00 0.00 C ATOM 1158 C VAL A 79 -2.133 3.516 -0.288 1.00 0.00 C ATOM 1159 O VAL A 79 -1.835 4.343 -1.149 1.00 0.00 O ATOM 1160 CB VAL A 79 -3.041 1.567 -1.555 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -1.770 0.800 -1.223 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -4.217 0.618 -1.729 1.00 0.00 C ATOM 0 H VAL A 79 -4.622 3.641 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.545 2.092 0.477 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.885 2.091 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.571 0.068 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.933 1.495 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.894 0.286 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.984 -0.111 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.408 0.099 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.102 1.185 -2.017 1.00 0.00 H new ATOM 1172 N GLN A 80 -1.436 3.354 0.833 1.00 0.00 N ATOM 1173 CA GLN A 80 -0.255 4.159 1.120 1.00 0.00 C ATOM 1174 C GLN A 80 0.907 3.280 1.569 1.00 0.00 C ATOM 1175 O GLN A 80 0.808 2.563 2.565 1.00 0.00 O ATOM 1176 CB GLN A 80 -0.570 5.199 2.198 1.00 0.00 C ATOM 1177 CG GLN A 80 -1.525 6.286 1.733 1.00 0.00 C ATOM 1178 CD GLN A 80 -1.995 7.174 2.869 1.00 0.00 C ATOM 1179 OE1 GLN A 80 -2.159 6.719 4.001 1.00 0.00 O ATOM 1180 NE2 GLN A 80 -2.214 8.450 2.571 1.00 0.00 N ATOM 0 H GLN A 80 -1.669 2.673 1.556 1.00 0.00 H new ATOM 0 HA GLN A 80 0.035 4.673 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.000 4.695 3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.360 5.661 2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.033 6.899 0.978 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.390 5.825 1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.065 8.784 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.531 9.095 3.294 1.00 0.00 H new ATOM 1189 N VAL A 81 2.009 3.340 0.828 1.00 0.00 N ATOM 1190 CA VAL A 81 3.191 2.549 1.150 1.00 0.00 C ATOM 1191 C VAL A 81 4.259 3.406 1.821 1.00 0.00 C ATOM 1192 O VAL A 81 4.414 4.585 1.502 1.00 0.00 O ATOM 1193 CB VAL A 81 3.790 1.896 -0.109 1.00 0.00 C ATOM 1194 CG1 VAL A 81 5.052 1.121 0.239 1.00 0.00 C ATOM 1195 CG2 VAL A 81 2.766 0.990 -0.777 1.00 0.00 C ATOM 0 H VAL A 81 2.108 3.928 0.001 1.00 0.00 H new ATOM 0 HA VAL A 81 2.870 1.767 1.838 1.00 0.00 H new ATOM 0 HB VAL A 81 4.059 2.684 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.461 0.667 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.789 1.800 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.812 0.341 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.206 0.537 -1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.464 0.207 -0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.893 1.577 -1.064 1.00 0.00 H new ATOM 1205 N ARG A 82 4.993 2.805 2.752 1.00 0.00 N ATOM 1206 CA ARG A 82 6.047 3.513 3.469 1.00 0.00 C ATOM 1207 C ARG A 82 7.316 2.669 3.543 1.00 0.00 C ATOM 1208 O ARG A 82 7.286 1.463 3.301 1.00 0.00 O ATOM 1209 CB ARG A 82 5.579 3.875 4.879 1.00 0.00 C ATOM 1210 CG ARG A 82 5.299 2.666 5.757 1.00 0.00 C ATOM 1211 CD ARG A 82 5.500 2.988 7.230 1.00 0.00 C ATOM 1212 NE ARG A 82 4.283 3.506 7.849 1.00 0.00 N ATOM 1213 CZ ARG A 82 4.277 4.256 8.945 1.00 0.00 C ATOM 1214 NH1 ARG A 82 5.419 4.575 9.539 1.00 0.00 N ATOM 1215 NH2 ARG A 82 3.129 4.689 9.448 1.00 0.00 N ATOM 0 H ARG A 82 4.877 1.830 3.027 1.00 0.00 H new ATOM 0 HA ARG A 82 6.272 4.429 2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.339 4.493 5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.675 4.480 4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.276 2.326 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.957 1.846 5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.820 2.089 7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.300 3.721 7.335 1.00 0.00 H new ATOM 0 HE ARG A 82 3.388 3.279 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.304 4.244 9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.413 5.151 10.381 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.249 4.446 8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.126 5.265 10.290 1.00 0.00 H new ATOM 1229 N ALA A 83 8.429 3.312 3.880 1.00 0.00 N ATOM 1230 CA ALA A 83 9.708 2.621 3.988 1.00 0.00 C ATOM 1231 C ALA A 83 10.347 2.860 5.351 1.00 0.00 C ATOM 1232 O ALA A 83 10.121 3.892 5.982 1.00 0.00 O ATOM 1233 CB ALA A 83 10.646 3.070 2.877 1.00 0.00 C ATOM 0 H ALA A 83 8.471 4.311 4.083 1.00 0.00 H new ATOM 0 HA ALA A 83 9.525 1.551 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.597 2.546 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.199 2.842 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.814 4.144 2.955 1.00 0.00 H new ATOM 1239 N ARG A 84 11.147 1.898 5.801 1.00 0.00 N ATOM 1240 CA ARG A 84 11.818 2.003 7.091 1.00 0.00 C ATOM 1241 C ARG A 84 13.328 1.863 6.932 1.00 0.00 C ATOM 1242 O ARG A 84 13.806 1.078 6.112 1.00 0.00 O ATOM 1243 CB ARG A 84 11.294 0.933 8.051 1.00 0.00 C ATOM 1244 CG ARG A 84 11.921 0.996 9.434 1.00 0.00 C ATOM 1245 CD ARG A 84 11.849 -0.349 10.140 1.00 0.00 C ATOM 1246 NE ARG A 84 12.235 -0.251 11.545 1.00 0.00 N ATOM 1247 CZ ARG A 84 12.205 -1.277 12.389 1.00 0.00 C ATOM 1248 NH1 ARG A 84 11.810 -2.471 11.972 1.00 0.00 N ATOM 1249 NH2 ARG A 84 12.572 -1.108 13.653 1.00 0.00 N ATOM 0 H ARG A 84 11.346 1.037 5.291 1.00 0.00 H new ATOM 0 HA ARG A 84 11.604 2.989 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.213 1.040 8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.480 -0.051 7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.962 1.308 9.349 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.410 1.750 10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.835 -0.742 10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.502 -1.060 9.633 1.00 0.00 H new ATOM 0 HE ARG A 84 12.545 0.655 11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.528 -2.604 11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.788 -3.257 12.622 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.877 -0.190 13.977 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.549 -1.896 14.300 1.00 0.00 H new ATOM 1263 N SER A 85 14.075 2.629 7.720 1.00 0.00 N ATOM 1264 CA SER A 85 15.532 2.594 7.663 1.00 0.00 C ATOM 1265 C SER A 85 16.128 2.487 9.063 1.00 0.00 C ATOM 1266 O SER A 85 15.427 2.649 10.061 1.00 0.00 O ATOM 1267 CB SER A 85 16.067 3.844 6.963 1.00 0.00 C ATOM 1268 OG SER A 85 17.443 3.707 6.653 1.00 0.00 O ATOM 0 H SER A 85 13.696 3.282 8.406 1.00 0.00 H new ATOM 0 HA SER A 85 15.827 1.713 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.501 4.022 6.049 1.00 0.00 H new ATOM 0 HB3 SER A 85 15.920 4.714 7.603 1.00 0.00 H new ATOM 0 HG SER A 85 17.576 3.833 5.690 1.00 0.00 H new ATOM 1274 N GLU A 86 17.427 2.212 9.128 1.00 0.00 N ATOM 1275 CA GLU A 86 18.118 2.083 10.405 1.00 0.00 C ATOM 1276 C GLU A 86 17.678 3.176 11.375 1.00 0.00 C ATOM 1277 O GLU A 86 17.518 2.933 12.570 1.00 0.00 O ATOM 1278 CB GLU A 86 19.633 2.147 10.200 1.00 0.00 C ATOM 1279 CG GLU A 86 20.235 0.844 9.701 1.00 0.00 C ATOM 1280 CD GLU A 86 21.739 0.788 9.886 1.00 0.00 C ATOM 1281 OE1 GLU A 86 22.449 1.563 9.214 1.00 0.00 O ATOM 1282 OE2 GLU A 86 22.205 -0.033 10.705 1.00 0.00 O ATOM 0 H GLU A 86 18.022 2.074 8.311 1.00 0.00 H new ATOM 0 HA GLU A 86 17.858 1.115 10.833 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.862 2.940 9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.108 2.419 11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.776 0.010 10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.998 0.720 8.644 1.00 0.00 H new ATOM 1289 N ALA A 87 17.485 4.382 10.849 1.00 0.00 N ATOM 1290 CA ALA A 87 17.063 5.513 11.667 1.00 0.00 C ATOM 1291 C ALA A 87 15.676 5.278 12.254 1.00 0.00 C ATOM 1292 O ALA A 87 15.459 5.458 13.452 1.00 0.00 O ATOM 1293 CB ALA A 87 17.081 6.793 10.845 1.00 0.00 C ATOM 0 H ALA A 87 17.614 4.600 9.861 1.00 0.00 H new ATOM 0 HA ALA A 87 17.766 5.615 12.494 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.764 7.630 11.468 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.091 6.976 10.478 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.401 6.692 9.999 1.00 0.00 H new ATOM 1299 N GLY A 88 14.738 4.874 11.402 1.00 0.00 N ATOM 1300 CA GLY A 88 13.383 4.622 11.856 1.00 0.00 C ATOM 1301 C GLY A 88 12.381 4.624 10.718 1.00 0.00 C ATOM 1302 O GLY A 88 12.757 4.720 9.550 1.00 0.00 O ATOM 0 H GLY A 88 14.893 4.717 10.406 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.347 3.659 12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.101 5.380 12.586 1.00 0.00 H new ATOM 1306 N TYR A 89 11.101 4.515 11.059 1.00 0.00 N ATOM 1307 CA TYR A 89 10.042 4.501 10.057 1.00 0.00 C ATOM 1308 C TYR A 89 9.906 5.865 9.388 1.00 0.00 C ATOM 1309 O TYR A 89 10.084 6.902 10.026 1.00 0.00 O ATOM 1310 CB TYR A 89 8.712 4.098 10.696 1.00 0.00 C ATOM 1311 CG TYR A 89 8.485 2.604 10.733 1.00 0.00 C ATOM 1312 CD1 TYR A 89 8.993 1.830 11.770 1.00 0.00 C ATOM 1313 CD2 TYR A 89 7.765 1.966 9.732 1.00 0.00 C ATOM 1314 CE1 TYR A 89 8.789 0.464 11.808 1.00 0.00 C ATOM 1315 CE2 TYR A 89 7.555 0.601 9.762 1.00 0.00 C ATOM 1316 CZ TYR A 89 8.069 -0.146 10.802 1.00 0.00 C ATOM 1317 OH TYR A 89 7.863 -1.506 10.835 1.00 0.00 O ATOM 0 H TYR A 89 10.772 4.435 12.021 1.00 0.00 H new ATOM 0 HA TYR A 89 10.308 3.769 9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 89 8.675 4.488 11.713 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.897 4.567 10.145 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.557 2.305 12.559 1.00 0.00 H new ATOM 0 HD2 TYR A 89 7.362 2.547 8.916 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.191 -0.123 12.621 1.00 0.00 H new ATOM 0 HE2 TYR A 89 6.991 0.121 8.976 1.00 0.00 H new ATOM 0 HH TYR A 89 7.336 -1.776 10.054 1.00 0.00 H new ATOM 1327 N GLY A 90 9.588 5.855 8.097 1.00 0.00 N ATOM 1328 CA GLY A 90 9.432 7.097 7.362 1.00 0.00 C ATOM 1329 C GLY A 90 7.978 7.453 7.127 1.00 0.00 C ATOM 1330 O GLY A 90 7.084 6.614 7.246 1.00 0.00 O ATOM 0 H GLY A 90 9.436 5.009 7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.916 7.904 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.942 7.014 6.402 1.00 0.00 H new ATOM 1334 N PRO A 91 7.723 8.725 6.785 1.00 0.00 N ATOM 1335 CA PRO A 91 6.368 9.219 6.527 1.00 0.00 C ATOM 1336 C PRO A 91 5.780 8.653 5.239 1.00 0.00 C ATOM 1337 O PRO A 91 6.505 8.135 4.389 1.00 0.00 O ATOM 1338 CB PRO A 91 6.559 10.733 6.407 1.00 0.00 C ATOM 1339 CG PRO A 91 7.977 10.903 5.982 1.00 0.00 C ATOM 1340 CD PRO A 91 8.740 9.778 6.625 1.00 0.00 C ATOM 0 HA PRO A 91 5.671 8.924 7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.873 11.162 5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 91 6.368 11.233 7.357 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.066 10.865 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.366 11.870 6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.568 9.445 6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.164 10.076 7.584 1.00 0.00 H new ATOM 1348 N PHE A 92 4.463 8.755 5.100 1.00 0.00 N ATOM 1349 CA PHE A 92 3.778 8.253 3.914 1.00 0.00 C ATOM 1350 C PHE A 92 3.882 9.248 2.763 1.00 0.00 C ATOM 1351 O PHE A 92 4.075 10.444 2.977 1.00 0.00 O ATOM 1352 CB PHE A 92 2.307 7.973 4.230 1.00 0.00 C ATOM 1353 CG PHE A 92 2.085 6.675 4.952 1.00 0.00 C ATOM 1354 CD1 PHE A 92 2.410 5.469 4.353 1.00 0.00 C ATOM 1355 CD2 PHE A 92 1.550 6.661 6.230 1.00 0.00 C ATOM 1356 CE1 PHE A 92 2.207 4.273 5.014 1.00 0.00 C ATOM 1357 CE2 PHE A 92 1.345 5.468 6.897 1.00 0.00 C ATOM 1358 CZ PHE A 92 1.673 4.272 6.288 1.00 0.00 C ATOM 0 H PHE A 92 3.848 9.181 5.794 1.00 0.00 H new ATOM 0 HA PHE A 92 4.261 7.324 3.612 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.912 8.789 4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.739 7.964 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.827 5.464 3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.290 7.593 6.710 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.465 3.340 4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.929 5.471 7.894 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.512 3.338 6.807 1.00 0.00 H new ATOM 1368 N GLY A 93 3.754 8.744 1.539 1.00 0.00 N ATOM 1369 CA GLY A 93 3.838 9.601 0.371 1.00 0.00 C ATOM 1370 C GLY A 93 2.477 9.903 -0.226 1.00 0.00 C ATOM 1371 O GLY A 93 1.448 9.614 0.384 1.00 0.00 O ATOM 0 H GLY A 93 3.594 7.757 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.327 10.536 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.464 9.123 -0.382 1.00 0.00 H new ATOM 1375 N GLN A 94 2.473 10.486 -1.420 1.00 0.00 N ATOM 1376 CA GLN A 94 1.228 10.829 -2.097 1.00 0.00 C ATOM 1377 C GLN A 94 0.246 9.663 -2.055 1.00 0.00 C ATOM 1378 O GLN A 94 0.614 8.520 -2.324 1.00 0.00 O ATOM 1379 CB GLN A 94 1.504 11.227 -3.548 1.00 0.00 C ATOM 1380 CG GLN A 94 1.821 10.047 -4.452 1.00 0.00 C ATOM 1381 CD GLN A 94 2.099 10.465 -5.882 1.00 0.00 C ATOM 1382 OE1 GLN A 94 1.895 11.622 -6.254 1.00 0.00 O ATOM 1383 NE2 GLN A 94 2.567 9.525 -6.694 1.00 0.00 N ATOM 0 H GLN A 94 3.317 10.731 -1.938 1.00 0.00 H new ATOM 0 HA GLN A 94 0.781 11.675 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.635 11.754 -3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.339 11.927 -3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.687 9.515 -4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.984 9.348 -4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.721 8.579 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.772 9.748 -7.668 1.00 0.00 H new ATOM 1392 N GLU A 95 -1.004 9.960 -1.715 1.00 0.00 N ATOM 1393 CA GLU A 95 -2.038 8.935 -1.637 1.00 0.00 C ATOM 1394 C GLU A 95 -2.364 8.384 -3.023 1.00 0.00 C ATOM 1395 O GLU A 95 -2.357 9.118 -4.012 1.00 0.00 O ATOM 1396 CB GLU A 95 -3.304 9.503 -0.991 1.00 0.00 C ATOM 1397 CG GLU A 95 -3.927 10.645 -1.776 1.00 0.00 C ATOM 1398 CD GLU A 95 -5.073 11.305 -1.034 1.00 0.00 C ATOM 1399 OE1 GLU A 95 -4.804 12.131 -0.138 1.00 0.00 O ATOM 1400 OE2 GLU A 95 -6.241 10.994 -1.351 1.00 0.00 O ATOM 0 H GLU A 95 -1.325 10.901 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.659 8.120 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.037 8.704 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.064 9.852 0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.163 11.391 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.287 10.269 -2.733 1.00 0.00 H new ATOM 1407 N HIS A 96 -2.649 7.088 -3.086 1.00 0.00 N ATOM 1408 CA HIS A 96 -2.978 6.438 -4.350 1.00 0.00 C ATOM 1409 C HIS A 96 -4.352 5.778 -4.280 1.00 0.00 C ATOM 1410 O HIS A 96 -4.799 5.361 -3.211 1.00 0.00 O ATOM 1411 CB HIS A 96 -1.917 5.395 -4.703 1.00 0.00 C ATOM 1412 CG HIS A 96 -2.220 4.632 -5.955 1.00 0.00 C ATOM 1413 ND1 HIS A 96 -2.186 5.202 -7.211 1.00 0.00 N ATOM 1414 CD2 HIS A 96 -2.563 3.336 -6.141 1.00 0.00 C ATOM 1415 CE1 HIS A 96 -2.496 4.290 -8.114 1.00 0.00 C ATOM 1416 NE2 HIS A 96 -2.729 3.149 -7.491 1.00 0.00 N ATOM 0 H HIS A 96 -2.659 6.467 -2.277 1.00 0.00 H new ATOM 0 HA HIS A 96 -3.000 7.202 -5.128 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.954 5.892 -4.815 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.819 4.693 -3.875 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -1.957 6.176 -7.411 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.684 2.588 -5.371 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.550 4.450 -9.181 1.00 0.00 H new ATOM 1425 N HIS A 97 -5.019 5.689 -5.427 1.00 0.00 N ATOM 1426 CA HIS A 97 -6.343 5.081 -5.495 1.00 0.00 C ATOM 1427 C HIS A 97 -6.326 3.842 -6.386 1.00 0.00 C ATOM 1428 O HIS A 97 -6.296 3.948 -7.612 1.00 0.00 O ATOM 1429 CB HIS A 97 -7.364 6.089 -6.023 1.00 0.00 C ATOM 1430 CG HIS A 97 -7.231 7.451 -5.415 1.00 0.00 C ATOM 1431 ND1 HIS A 97 -6.308 8.381 -5.846 1.00 0.00 N ATOM 1432 CD2 HIS A 97 -7.911 8.039 -4.403 1.00 0.00 C ATOM 1433 CE1 HIS A 97 -6.426 9.481 -5.125 1.00 0.00 C ATOM 1434 NE2 HIS A 97 -7.392 9.300 -4.242 1.00 0.00 N ATOM 0 H HIS A 97 -4.665 6.030 -6.321 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.630 4.779 -4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.256 6.171 -7.105 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.368 5.711 -5.831 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.713 7.598 -3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.833 10.377 -5.238 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -7.702 9.985 -3.553 1.00 0.00 H new ATOM 1443 N SER A 98 -6.345 2.669 -5.761 1.00 0.00 N ATOM 1444 CA SER A 98 -6.327 1.410 -6.497 1.00 0.00 C ATOM 1445 C SER A 98 -7.700 1.109 -7.092 1.00 0.00 C ATOM 1446 O SER A 98 -8.612 0.680 -6.386 1.00 0.00 O ATOM 1447 CB SER A 98 -5.893 0.265 -5.581 1.00 0.00 C ATOM 1448 OG SER A 98 -5.386 -0.825 -6.331 1.00 0.00 O ATOM 0 H SER A 98 -6.373 2.564 -4.747 1.00 0.00 H new ATOM 0 HA SER A 98 -5.610 1.504 -7.312 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.130 0.619 -4.888 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.741 -0.066 -4.981 1.00 0.00 H new ATOM 0 HG SER A 98 -4.969 -1.473 -5.725 1.00 0.00 H new