USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 552 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 8 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 TYR OH : rot -152:sc= -0.629 USER MOD Set 1.3: A 73 HIS : no HD1:sc= -5.72! C(o=-6.4!,f=-4.9!) USER MOD Set 2.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -58:sc= 0.0954 USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -0.0242 (180deg=-0.317) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.356 K(o=-0.36,f=-1.7) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0813) USER MOD Single : A 36 HIS : no HD1:sc= -1.35! C(o=-1.3!,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= -0.0649 (180deg=-0.539) USER MOD Single : A 40 ASN : amide:sc= -1.01 K(o=-1,f=-3.1) USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= -0.0658 (180deg=-0.407) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 159:sc= 0.281 USER MOD Single : A 63 ASN : amide:sc= -0.085 K(o=-0.085,f=-6.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.987 10.751 -4.986 1.00 0.00 N ATOM 60 CA GLY A 7 1.812 11.524 -5.341 1.00 0.00 C ATOM 61 C GLY A 7 0.521 10.789 -5.036 1.00 0.00 C ATOM 62 O GLY A 7 -0.161 11.098 -4.059 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.825 12.469 -4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.847 11.765 -6.403 1.00 0.00 H new ATOM 66 N SER A 8 0.185 9.815 -5.875 1.00 0.00 N ATOM 67 CA SER A 8 -1.036 9.037 -5.693 1.00 0.00 C ATOM 68 C SER A 8 -0.730 7.689 -5.047 1.00 0.00 C ATOM 69 O SER A 8 0.351 7.131 -5.232 1.00 0.00 O ATOM 70 CB SER A 8 -1.735 8.825 -7.037 1.00 0.00 C ATOM 71 OG SER A 8 -2.230 10.048 -7.553 1.00 0.00 O ATOM 0 H SER A 8 0.740 9.545 -6.687 1.00 0.00 H new ATOM 0 HA SER A 8 -1.698 9.595 -5.031 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.037 8.383 -7.748 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.556 8.119 -6.916 1.00 0.00 H new ATOM 0 HG SER A 8 -2.671 9.886 -8.413 1.00 0.00 H new ATOM 77 N TYR A 9 -1.691 7.172 -4.290 1.00 0.00 N ATOM 78 CA TYR A 9 -1.526 5.891 -3.614 1.00 0.00 C ATOM 79 C TYR A 9 -0.926 4.852 -4.556 1.00 0.00 C ATOM 80 O TYR A 9 0.166 4.337 -4.317 1.00 0.00 O ATOM 81 CB TYR A 9 -2.870 5.396 -3.078 1.00 0.00 C ATOM 82 CG TYR A 9 -3.567 6.390 -2.177 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.841 7.330 -1.456 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.950 6.389 -2.046 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.473 8.240 -0.630 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.590 7.296 -1.224 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.847 8.219 -0.518 1.00 0.00 C ATOM 88 OH TYR A 9 -5.482 9.124 0.302 1.00 0.00 O ATOM 0 H TYR A 9 -2.593 7.621 -4.129 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.841 6.035 -2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.523 5.161 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.713 4.468 -2.528 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.765 7.350 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.535 5.667 -2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.894 8.963 -0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.666 7.283 -1.135 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.450 8.975 0.266 1.00 0.00 H new ATOM 98 N TYR A 10 -1.649 4.549 -5.628 1.00 0.00 N ATOM 99 CA TYR A 10 -1.191 3.570 -6.607 1.00 0.00 C ATOM 100 C TYR A 10 0.319 3.661 -6.803 1.00 0.00 C ATOM 101 O TYR A 10 0.984 2.658 -7.063 1.00 0.00 O ATOM 102 CB TYR A 10 -1.904 3.782 -7.944 1.00 0.00 C ATOM 103 CG TYR A 10 -3.384 3.478 -7.896 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.843 2.214 -7.545 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.324 4.455 -8.200 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.195 1.932 -7.501 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.678 4.183 -8.156 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.108 2.920 -7.807 1.00 0.00 C ATOM 109 OH TYR A 10 -7.455 2.643 -7.762 1.00 0.00 O ATOM 0 H TYR A 10 -2.555 4.967 -5.841 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.431 2.576 -6.229 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.764 4.815 -8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.436 3.151 -8.700 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.131 1.439 -7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.990 5.445 -8.476 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.535 0.944 -7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.395 4.955 -8.393 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.658 1.905 -8.374 1.00 0.00 H new ATOM 119 N ASP A 11 0.854 4.870 -6.676 1.00 0.00 N ATOM 120 CA ASP A 11 2.286 5.094 -6.837 1.00 0.00 C ATOM 121 C ASP A 11 3.025 4.846 -5.526 1.00 0.00 C ATOM 122 O ASP A 11 4.061 4.180 -5.503 1.00 0.00 O ATOM 123 CB ASP A 11 2.549 6.520 -7.324 1.00 0.00 C ATOM 124 CG ASP A 11 2.543 6.626 -8.836 1.00 0.00 C ATOM 125 OD1 ASP A 11 1.442 6.637 -9.426 1.00 0.00 O ATOM 126 OD2 ASP A 11 3.639 6.699 -9.429 1.00 0.00 O ATOM 0 H ASP A 11 0.317 5.711 -6.462 1.00 0.00 H new ATOM 0 HA ASP A 11 2.658 4.390 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.791 7.187 -6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.512 6.859 -6.943 1.00 0.00 H new ATOM 131 N ILE A 12 2.488 5.387 -4.438 1.00 0.00 N ATOM 132 CA ILE A 12 3.097 5.224 -3.124 1.00 0.00 C ATOM 133 C ILE A 12 3.278 3.749 -2.781 1.00 0.00 C ATOM 134 O ILE A 12 4.286 3.356 -2.192 1.00 0.00 O ATOM 135 CB ILE A 12 2.252 5.895 -2.025 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.074 7.384 -2.326 1.00 0.00 C ATOM 137 CG2 ILE A 12 2.902 5.698 -0.663 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.133 8.085 -1.371 1.00 0.00 C ATOM 0 H ILE A 12 1.632 5.942 -4.440 1.00 0.00 H new ATOM 0 HA ILE A 12 4.073 5.707 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 12 1.268 5.427 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.047 7.873 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.699 7.499 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.293 6.178 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.982 4.632 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.897 6.143 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.055 9.137 -1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.148 7.622 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.518 8.002 -0.355 1.00 0.00 H new ATOM 150 N LEU A 13 2.297 2.935 -3.155 1.00 0.00 N ATOM 151 CA LEU A 13 2.348 1.502 -2.889 1.00 0.00 C ATOM 152 C LEU A 13 3.001 0.756 -4.048 1.00 0.00 C ATOM 153 O LEU A 13 3.648 -0.272 -3.853 1.00 0.00 O ATOM 154 CB LEU A 13 0.939 0.958 -2.647 1.00 0.00 C ATOM 155 CG LEU A 13 0.239 1.448 -1.379 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.215 1.001 -1.365 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.965 0.945 -0.140 1.00 0.00 C ATOM 0 H LEU A 13 1.456 3.243 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 13 2.950 1.345 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.318 1.219 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.992 -0.130 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 13 0.263 2.538 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.697 1.359 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.730 1.411 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.261 -0.088 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.453 1.304 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.973 -0.145 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.990 1.316 -0.143 1.00 0.00 H new ATOM 169 N GLY A 14 2.829 1.283 -5.257 1.00 0.00 N ATOM 170 CA GLY A 14 3.410 0.656 -6.430 1.00 0.00 C ATOM 171 C GLY A 14 2.469 -0.339 -7.081 1.00 0.00 C ATOM 172 O GLY A 14 2.908 -1.329 -7.665 1.00 0.00 O ATOM 0 H GLY A 14 2.298 2.133 -5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.678 1.425 -7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.332 0.148 -6.148 1.00 0.00 H new ATOM 176 N VAL A 15 1.170 -0.076 -6.978 1.00 0.00 N ATOM 177 CA VAL A 15 0.164 -0.956 -7.561 1.00 0.00 C ATOM 178 C VAL A 15 -0.639 -0.236 -8.639 1.00 0.00 C ATOM 179 O VAL A 15 -0.801 0.984 -8.615 1.00 0.00 O ATOM 180 CB VAL A 15 -0.803 -1.492 -6.488 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.138 -2.590 -5.672 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.280 -0.362 -5.589 1.00 0.00 C ATOM 0 H VAL A 15 0.790 0.739 -6.497 1.00 0.00 H new ATOM 0 HA VAL A 15 0.698 -1.794 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.673 -1.919 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.835 -2.957 -4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.149 -3.410 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.750 -2.191 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.962 -0.759 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.423 0.097 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.797 0.387 -6.189 1.00 0.00 H new ATOM 192 N PRO A 16 -1.154 -1.007 -9.608 1.00 0.00 N ATOM 193 CA PRO A 16 -1.950 -0.464 -10.712 1.00 0.00 C ATOM 194 C PRO A 16 -3.314 0.039 -10.251 1.00 0.00 C ATOM 195 O PRO A 16 -3.734 -0.220 -9.123 1.00 0.00 O ATOM 196 CB PRO A 16 -2.111 -1.659 -11.655 1.00 0.00 C ATOM 197 CG PRO A 16 -1.975 -2.855 -10.777 1.00 0.00 C ATOM 198 CD PRO A 16 -1.000 -2.468 -9.699 1.00 0.00 C ATOM 0 HA PRO A 16 -1.471 0.399 -11.174 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.080 -1.642 -12.154 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.351 -1.652 -12.436 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.937 -3.137 -10.350 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.612 -3.714 -11.341 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.233 -2.956 -8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.020 -2.749 -9.960 1.00 0.00 H new ATOM 206 N LYS A 17 -4.002 0.758 -11.131 1.00 0.00 N ATOM 207 CA LYS A 17 -5.320 1.296 -10.816 1.00 0.00 C ATOM 208 C LYS A 17 -6.340 0.174 -10.647 1.00 0.00 C ATOM 209 O LYS A 17 -7.291 0.298 -9.875 1.00 0.00 O ATOM 210 CB LYS A 17 -5.779 2.255 -11.918 1.00 0.00 C ATOM 211 CG LYS A 17 -5.034 3.579 -11.921 1.00 0.00 C ATOM 212 CD LYS A 17 -3.657 3.442 -12.547 1.00 0.00 C ATOM 213 CE LYS A 17 -2.933 4.778 -12.600 1.00 0.00 C ATOM 214 NZ LYS A 17 -3.678 5.781 -13.410 1.00 0.00 N ATOM 0 H LYS A 17 -3.669 0.982 -12.069 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.247 1.841 -9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.648 1.772 -12.886 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.845 2.448 -11.799 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.612 4.322 -12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.935 3.944 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.065 2.729 -11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.753 3.039 -13.555 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.797 5.158 -11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.939 4.636 -13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.046 6.572 -13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.022 5.335 -14.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.487 6.138 -12.862 1.00 0.00 H new ATOM 228 N SER A 18 -6.134 -0.920 -11.373 1.00 0.00 N ATOM 229 CA SER A 18 -7.037 -2.063 -11.305 1.00 0.00 C ATOM 230 C SER A 18 -6.464 -3.155 -10.406 1.00 0.00 C ATOM 231 O SER A 18 -6.915 -4.300 -10.438 1.00 0.00 O ATOM 232 CB SER A 18 -7.293 -2.622 -12.706 1.00 0.00 C ATOM 233 OG SER A 18 -8.566 -3.240 -12.784 1.00 0.00 O ATOM 0 H SER A 18 -5.350 -1.039 -12.015 1.00 0.00 H new ATOM 0 HA SER A 18 -7.981 -1.724 -10.879 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.230 -1.818 -13.439 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.518 -3.345 -12.960 1.00 0.00 H new ATOM 0 HG SER A 18 -8.706 -3.588 -13.690 1.00 0.00 H new ATOM 239 N ALA A 19 -5.468 -2.791 -9.605 1.00 0.00 N ATOM 240 CA ALA A 19 -4.834 -3.737 -8.696 1.00 0.00 C ATOM 241 C ALA A 19 -5.869 -4.431 -7.816 1.00 0.00 C ATOM 242 O ALA A 19 -6.640 -3.776 -7.115 1.00 0.00 O ATOM 243 CB ALA A 19 -3.798 -3.030 -7.836 1.00 0.00 C ATOM 0 H ALA A 19 -5.083 -1.847 -9.567 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.335 -4.499 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.333 -3.749 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.035 -2.586 -8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.282 -2.247 -7.253 1.00 0.00 H new ATOM 249 N SER A 20 -5.881 -5.759 -7.860 1.00 0.00 N ATOM 250 CA SER A 20 -6.825 -6.542 -7.070 1.00 0.00 C ATOM 251 C SER A 20 -6.482 -6.469 -5.586 1.00 0.00 C ATOM 252 O SER A 20 -5.316 -6.353 -5.213 1.00 0.00 O ATOM 253 CB SER A 20 -6.826 -7.999 -7.535 1.00 0.00 C ATOM 254 OG SER A 20 -7.918 -8.711 -6.979 1.00 0.00 O ATOM 0 H SER A 20 -5.248 -6.316 -8.434 1.00 0.00 H new ATOM 0 HA SER A 20 -7.820 -6.122 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.879 -8.037 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.890 -8.477 -7.245 1.00 0.00 H new ATOM 0 HG SER A 20 -7.897 -9.639 -7.293 1.00 0.00 H new ATOM 260 N GLU A 21 -7.509 -6.538 -4.743 1.00 0.00 N ATOM 261 CA GLU A 21 -7.316 -6.479 -3.299 1.00 0.00 C ATOM 262 C GLU A 21 -6.044 -7.216 -2.889 1.00 0.00 C ATOM 263 O GLU A 21 -5.251 -6.712 -2.095 1.00 0.00 O ATOM 264 CB GLU A 21 -8.523 -7.082 -2.577 1.00 0.00 C ATOM 265 CG GLU A 21 -8.459 -6.943 -1.065 1.00 0.00 C ATOM 266 CD GLU A 21 -9.430 -7.865 -0.353 1.00 0.00 C ATOM 267 OE1 GLU A 21 -9.740 -8.941 -0.906 1.00 0.00 O ATOM 268 OE2 GLU A 21 -9.880 -7.510 0.756 1.00 0.00 O ATOM 0 H GLU A 21 -8.481 -6.635 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.216 -5.432 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.431 -6.600 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.599 -8.139 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.445 -7.158 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.675 -5.911 -0.789 1.00 0.00 H new ATOM 275 N ARG A 22 -5.858 -8.413 -3.437 1.00 0.00 N ATOM 276 CA ARG A 22 -4.684 -9.220 -3.128 1.00 0.00 C ATOM 277 C ARG A 22 -3.403 -8.488 -3.514 1.00 0.00 C ATOM 278 O ARG A 22 -2.417 -8.514 -2.779 1.00 0.00 O ATOM 279 CB ARG A 22 -4.756 -10.563 -3.857 1.00 0.00 C ATOM 280 CG ARG A 22 -3.678 -11.546 -3.431 1.00 0.00 C ATOM 281 CD ARG A 22 -4.045 -12.973 -3.807 1.00 0.00 C ATOM 282 NE ARG A 22 -2.885 -13.861 -3.783 1.00 0.00 N ATOM 283 CZ ARG A 22 -2.926 -15.133 -4.163 1.00 0.00 C ATOM 284 NH1 ARG A 22 -4.061 -15.664 -4.595 1.00 0.00 N ATOM 285 NH2 ARG A 22 -1.828 -15.877 -4.112 1.00 0.00 N ATOM 0 H ARG A 22 -6.505 -8.845 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.670 -9.398 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.734 -11.011 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.674 -10.389 -4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.732 -11.277 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.529 -11.479 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.802 -13.346 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.489 -12.983 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.995 -13.484 -3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.907 -15.095 -4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.089 -16.641 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.952 -15.472 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.860 -16.854 -4.404 1.00 0.00 H new ATOM 299 N GLN A 23 -3.426 -7.836 -4.672 1.00 0.00 N ATOM 300 CA GLN A 23 -2.266 -7.097 -5.156 1.00 0.00 C ATOM 301 C GLN A 23 -1.924 -5.945 -4.218 1.00 0.00 C ATOM 302 O GLN A 23 -0.757 -5.721 -3.894 1.00 0.00 O ATOM 303 CB GLN A 23 -2.527 -6.563 -6.566 1.00 0.00 C ATOM 304 CG GLN A 23 -2.825 -7.652 -7.584 1.00 0.00 C ATOM 305 CD GLN A 23 -2.559 -7.207 -9.009 1.00 0.00 C ATOM 306 OE1 GLN A 23 -2.507 -6.011 -9.298 1.00 0.00 O ATOM 307 NE2 GLN A 23 -2.389 -8.169 -9.907 1.00 0.00 N ATOM 0 H GLN A 23 -4.235 -7.805 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.418 -7.781 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.367 -5.869 -6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.657 -5.996 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.216 -8.529 -7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.868 -7.956 -7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.441 -9.147 -9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.207 -7.930 -10.882 1.00 0.00 H new ATOM 316 N ILE A 24 -2.948 -5.217 -3.785 1.00 0.00 N ATOM 317 CA ILE A 24 -2.755 -4.089 -2.883 1.00 0.00 C ATOM 318 C ILE A 24 -2.190 -4.546 -1.543 1.00 0.00 C ATOM 319 O ILE A 24 -1.152 -4.059 -1.094 1.00 0.00 O ATOM 320 CB ILE A 24 -4.073 -3.331 -2.640 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.573 -2.701 -3.942 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.883 -2.266 -1.569 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.065 -2.454 -3.960 1.00 0.00 C ATOM 0 H ILE A 24 -3.919 -5.388 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.043 -3.419 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.823 -4.041 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.055 -1.756 -4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.311 -3.353 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.824 -1.739 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.568 -2.738 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.121 -1.557 -1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.348 -2.006 -4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.592 -3.400 -3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.332 -1.778 -3.148 1.00 0.00 H new ATOM 335 N LYS A 25 -2.879 -5.488 -0.907 1.00 0.00 N ATOM 336 CA LYS A 25 -2.446 -6.015 0.382 1.00 0.00 C ATOM 337 C LYS A 25 -1.004 -6.507 0.311 1.00 0.00 C ATOM 338 O LYS A 25 -0.189 -6.200 1.181 1.00 0.00 O ATOM 339 CB LYS A 25 -3.364 -7.157 0.823 1.00 0.00 C ATOM 340 CG LYS A 25 -4.555 -6.696 1.646 1.00 0.00 C ATOM 341 CD LYS A 25 -5.752 -7.612 1.455 1.00 0.00 C ATOM 342 CE LYS A 25 -5.660 -8.843 2.343 1.00 0.00 C ATOM 343 NZ LYS A 25 -6.081 -8.551 3.742 1.00 0.00 N ATOM 0 H LYS A 25 -3.740 -5.902 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.501 -5.209 1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.725 -7.684 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.785 -7.873 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.281 -6.669 2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.824 -5.679 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.668 -7.067 1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.813 -7.919 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.287 -9.634 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.636 -9.216 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.004 -9.415 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.467 -7.814 4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.067 -8.220 3.746 1.00 0.00 H new ATOM 357 N LYS A 26 -0.694 -7.271 -0.731 1.00 0.00 N ATOM 358 CA LYS A 26 0.650 -7.803 -0.918 1.00 0.00 C ATOM 359 C LYS A 26 1.658 -6.677 -1.123 1.00 0.00 C ATOM 360 O LYS A 26 2.688 -6.623 -0.451 1.00 0.00 O ATOM 361 CB LYS A 26 0.682 -8.755 -2.116 1.00 0.00 C ATOM 362 CG LYS A 26 0.389 -10.200 -1.753 1.00 0.00 C ATOM 363 CD LYS A 26 0.283 -11.075 -2.991 1.00 0.00 C ATOM 364 CE LYS A 26 0.625 -12.524 -2.680 1.00 0.00 C ATOM 365 NZ LYS A 26 2.080 -12.798 -2.839 1.00 0.00 N ATOM 0 H LYS A 26 -1.357 -7.536 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 26 0.924 -8.352 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.046 -8.420 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.663 -8.699 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.178 -10.580 -1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.542 -10.253 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.728 -11.017 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.955 -10.699 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.321 -12.758 -1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.058 -13.180 -3.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.272 -13.796 -2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.366 -12.600 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.621 -12.190 -2.191 1.00 0.00 H new ATOM 379 N ALA A 27 1.353 -5.778 -2.053 1.00 0.00 N ATOM 380 CA ALA A 27 2.231 -4.651 -2.343 1.00 0.00 C ATOM 381 C ALA A 27 2.498 -3.826 -1.088 1.00 0.00 C ATOM 382 O ALA A 27 3.632 -3.426 -0.826 1.00 0.00 O ATOM 383 CB ALA A 27 1.626 -3.777 -3.432 1.00 0.00 C ATOM 0 H ALA A 27 0.505 -5.808 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 27 3.183 -5.046 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.292 -2.939 -3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.492 -4.366 -4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.659 -3.398 -3.100 1.00 0.00 H new ATOM 389 N PHE A 28 1.446 -3.575 -0.316 1.00 0.00 N ATOM 390 CA PHE A 28 1.567 -2.796 0.911 1.00 0.00 C ATOM 391 C PHE A 28 2.358 -3.563 1.967 1.00 0.00 C ATOM 392 O PHE A 28 3.358 -3.070 2.490 1.00 0.00 O ATOM 393 CB PHE A 28 0.182 -2.440 1.454 1.00 0.00 C ATOM 394 CG PHE A 28 0.222 -1.650 2.730 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.201 -0.691 2.936 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.719 -1.865 3.724 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.241 0.039 4.109 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.684 -1.138 4.899 1.00 0.00 C ATOM 399 CZ PHE A 28 0.298 -0.186 5.092 1.00 0.00 C ATOM 0 H PHE A 28 0.500 -3.900 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 28 2.104 -1.877 0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.359 -1.869 0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.380 -3.358 1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.942 -0.512 2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.488 -2.609 3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.009 0.784 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.424 -1.314 5.666 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.328 0.381 6.010 1.00 0.00 H new ATOM 409 N HIS A 29 1.902 -4.773 2.275 1.00 0.00 N ATOM 410 CA HIS A 29 2.566 -5.610 3.268 1.00 0.00 C ATOM 411 C HIS A 29 4.082 -5.526 3.123 1.00 0.00 C ATOM 412 O HIS A 29 4.773 -5.008 4.002 1.00 0.00 O ATOM 413 CB HIS A 29 2.109 -7.063 3.130 1.00 0.00 C ATOM 414 CG HIS A 29 0.893 -7.388 3.942 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.689 -8.617 4.532 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.185 -6.635 4.263 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.463 -8.607 5.179 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.013 -7.415 5.032 1.00 0.00 N ATOM 0 H HIS A 29 1.076 -5.196 1.852 1.00 0.00 H new ATOM 0 HA HIS A 29 2.292 -5.243 4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.901 -7.272 2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.924 -7.722 3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.361 -5.611 3.969 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.883 -9.433 5.734 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.907 -7.122 5.426 1.00 0.00 H new ATOM 426 N LYS A 30 4.595 -6.038 2.010 1.00 0.00 N ATOM 427 CA LYS A 30 6.029 -6.021 1.749 1.00 0.00 C ATOM 428 C LYS A 30 6.622 -4.649 2.055 1.00 0.00 C ATOM 429 O LYS A 30 7.607 -4.537 2.786 1.00 0.00 O ATOM 430 CB LYS A 30 6.308 -6.394 0.291 1.00 0.00 C ATOM 431 CG LYS A 30 6.352 -7.893 0.044 1.00 0.00 C ATOM 432 CD LYS A 30 4.981 -8.438 -0.321 1.00 0.00 C ATOM 433 CE LYS A 30 4.583 -8.041 -1.735 1.00 0.00 C ATOM 434 NZ LYS A 30 5.231 -8.907 -2.758 1.00 0.00 N ATOM 0 H LYS A 30 4.038 -6.471 1.273 1.00 0.00 H new ATOM 0 HA LYS A 30 6.500 -6.755 2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.538 -5.952 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.259 -5.956 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.056 -8.110 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.720 -8.399 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.985 -9.525 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.240 -8.065 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.500 -8.105 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.859 -7.002 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.934 -8.604 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.265 -8.827 -2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.947 -9.896 -2.606 1.00 0.00 H new ATOM 448 N LEU A 31 6.015 -3.609 1.494 1.00 0.00 N ATOM 449 CA LEU A 31 6.482 -2.244 1.709 1.00 0.00 C ATOM 450 C LEU A 31 6.631 -1.947 3.197 1.00 0.00 C ATOM 451 O LEU A 31 7.733 -1.695 3.683 1.00 0.00 O ATOM 452 CB LEU A 31 5.513 -1.246 1.073 1.00 0.00 C ATOM 453 CG LEU A 31 5.522 -1.182 -0.455 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.330 -0.387 -0.963 1.00 0.00 C ATOM 455 CD2 LEU A 31 6.824 -0.573 -0.955 1.00 0.00 C ATOM 0 H LEU A 31 5.199 -3.685 0.887 1.00 0.00 H new ATOM 0 HA LEU A 31 7.460 -2.143 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.503 -1.492 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.740 -0.253 1.460 1.00 0.00 H new ATOM 0 HG LEU A 31 5.446 -2.198 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.353 -0.352 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.407 -0.865 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.374 0.627 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.813 -0.535 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.930 0.437 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.663 -1.184 -0.621 1.00 0.00 H new ATOM 467 N ALA A 32 5.514 -1.981 3.917 1.00 0.00 N ATOM 468 CA ALA A 32 5.520 -1.720 5.351 1.00 0.00 C ATOM 469 C ALA A 32 6.745 -2.339 6.016 1.00 0.00 C ATOM 470 O ALA A 32 7.289 -1.787 6.972 1.00 0.00 O ATOM 471 CB ALA A 32 4.246 -2.251 5.990 1.00 0.00 C ATOM 0 H ALA A 32 4.593 -2.187 3.530 1.00 0.00 H new ATOM 0 HA ALA A 32 5.565 -0.641 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.265 -2.049 7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.382 -1.759 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.177 -3.326 5.825 1.00 0.00 H new ATOM 477 N MET A 33 7.173 -3.488 5.504 1.00 0.00 N ATOM 478 CA MET A 33 8.335 -4.182 6.049 1.00 0.00 C ATOM 479 C MET A 33 9.623 -3.448 5.691 1.00 0.00 C ATOM 480 O MET A 33 10.536 -3.341 6.510 1.00 0.00 O ATOM 481 CB MET A 33 8.390 -5.618 5.525 1.00 0.00 C ATOM 482 CG MET A 33 7.117 -6.408 5.782 1.00 0.00 C ATOM 483 SD MET A 33 6.784 -6.638 7.539 1.00 0.00 S ATOM 484 CE MET A 33 5.055 -7.102 7.499 1.00 0.00 C ATOM 0 H MET A 33 6.733 -3.958 4.713 1.00 0.00 H new ATOM 0 HA MET A 33 8.239 -4.203 7.135 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.585 -5.598 4.453 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.229 -6.134 5.992 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.275 -5.892 5.321 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.196 -7.383 5.301 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.702 -7.278 8.515 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.473 -6.299 7.047 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.936 -8.012 6.911 1.00 0.00 H new ATOM 494 N LYS A 34 9.691 -2.944 4.464 1.00 0.00 N ATOM 495 CA LYS A 34 10.867 -2.219 3.997 1.00 0.00 C ATOM 496 C LYS A 34 11.001 -0.881 4.716 1.00 0.00 C ATOM 497 O LYS A 34 12.110 -0.393 4.938 1.00 0.00 O ATOM 498 CB LYS A 34 10.785 -1.993 2.486 1.00 0.00 C ATOM 499 CG LYS A 34 12.011 -1.307 1.907 1.00 0.00 C ATOM 500 CD LYS A 34 11.703 -0.648 0.573 1.00 0.00 C ATOM 501 CE LYS A 34 12.973 -0.201 -0.134 1.00 0.00 C ATOM 502 NZ LYS A 34 13.738 -1.354 -0.684 1.00 0.00 N ATOM 0 H LYS A 34 8.944 -3.024 3.774 1.00 0.00 H new ATOM 0 HA LYS A 34 11.748 -2.821 4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.648 -2.954 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.903 -1.392 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.375 -0.557 2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.810 -2.037 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.158 -1.347 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.052 0.212 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.717 0.483 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.602 0.352 0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.500 -1.003 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.149 -1.903 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.100 -1.962 -1.236 1.00 0.00 H new ATOM 516 N TYR A 35 9.867 -0.292 5.078 1.00 0.00 N ATOM 517 CA TYR A 35 9.858 0.991 5.771 1.00 0.00 C ATOM 518 C TYR A 35 9.273 0.849 7.173 1.00 0.00 C ATOM 519 O TYR A 35 8.912 1.839 7.810 1.00 0.00 O ATOM 520 CB TYR A 35 9.056 2.020 4.973 1.00 0.00 C ATOM 521 CG TYR A 35 9.681 2.375 3.642 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.726 3.287 3.565 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.225 1.799 2.463 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.300 3.615 2.351 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.793 2.120 1.245 1.00 0.00 C ATOM 526 CZ TYR A 35 10.830 3.028 1.195 1.00 0.00 C ATOM 527 OH TYR A 35 11.398 3.352 -0.016 1.00 0.00 O ATOM 0 H TYR A 35 8.941 -0.683 4.903 1.00 0.00 H new ATOM 0 HA TYR A 35 10.889 1.334 5.860 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.052 1.632 4.801 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.950 2.927 5.569 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.096 3.748 4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.413 1.088 2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.111 4.326 2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.427 1.663 0.338 1.00 0.00 H new ATOM 0 HH TYR A 35 10.953 2.851 -0.731 1.00 0.00 H new ATOM 537 N HIS A 36 9.183 -0.390 7.647 1.00 0.00 N ATOM 538 CA HIS A 36 8.642 -0.663 8.974 1.00 0.00 C ATOM 539 C HIS A 36 9.370 0.156 10.036 1.00 0.00 C ATOM 540 O HIS A 36 10.594 0.110 10.159 1.00 0.00 O ATOM 541 CB HIS A 36 8.755 -2.153 9.296 1.00 0.00 C ATOM 542 CG HIS A 36 7.680 -2.650 10.213 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.363 -2.034 11.405 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.845 -3.711 10.106 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.381 -2.695 11.992 1.00 0.00 C ATOM 546 NE2 HIS A 36 6.048 -3.716 11.224 1.00 0.00 N ATOM 0 H HIS A 36 9.477 -1.220 7.132 1.00 0.00 H new ATOM 0 HA HIS A 36 7.590 -0.377 8.977 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.720 -2.721 8.366 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.727 -2.346 9.751 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.812 -4.421 9.293 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.928 -2.443 12.939 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.317 -4.398 11.428 1.00 0.00 H new ATOM 554 N PRO A 37 8.601 0.925 10.821 1.00 0.00 N ATOM 555 CA PRO A 37 9.151 1.769 11.886 1.00 0.00 C ATOM 556 C PRO A 37 9.694 0.950 13.052 1.00 0.00 C ATOM 557 O PRO A 37 10.184 1.503 14.036 1.00 0.00 O ATOM 558 CB PRO A 37 7.950 2.605 12.333 1.00 0.00 C ATOM 559 CG PRO A 37 6.761 1.779 11.978 1.00 0.00 C ATOM 560 CD PRO A 37 7.135 1.029 10.730 1.00 0.00 C ATOM 0 HA PRO A 37 9.996 2.364 11.539 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.986 2.809 13.403 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.928 3.569 11.826 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.508 1.092 12.785 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.886 2.407 11.809 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.664 0.047 10.695 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.825 1.563 9.832 1.00 0.00 H new ATOM 568 N ASP A 38 9.603 -0.370 12.935 1.00 0.00 N ATOM 569 CA ASP A 38 10.087 -1.266 13.980 1.00 0.00 C ATOM 570 C ASP A 38 11.426 -1.883 13.589 1.00 0.00 C ATOM 571 O ASP A 38 12.324 -2.022 14.420 1.00 0.00 O ATOM 572 CB ASP A 38 9.062 -2.369 14.250 1.00 0.00 C ATOM 573 CG ASP A 38 9.486 -3.288 15.379 1.00 0.00 C ATOM 574 OD1 ASP A 38 10.124 -2.799 16.334 1.00 0.00 O ATOM 575 OD2 ASP A 38 9.179 -4.497 15.306 1.00 0.00 O ATOM 0 H ASP A 38 9.199 -0.844 12.127 1.00 0.00 H new ATOM 0 HA ASP A 38 10.228 -0.682 14.889 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.101 -1.916 14.495 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.916 -2.956 13.343 1.00 0.00 H new ATOM 580 N LYS A 39 11.553 -2.253 12.319 1.00 0.00 N ATOM 581 CA LYS A 39 12.783 -2.855 11.817 1.00 0.00 C ATOM 582 C LYS A 39 13.749 -1.785 11.320 1.00 0.00 C ATOM 583 O LYS A 39 14.957 -1.878 11.535 1.00 0.00 O ATOM 584 CB LYS A 39 12.468 -3.839 10.688 1.00 0.00 C ATOM 585 CG LYS A 39 11.583 -4.996 11.118 1.00 0.00 C ATOM 586 CD LYS A 39 12.345 -5.994 11.973 1.00 0.00 C ATOM 587 CE LYS A 39 13.247 -6.879 11.126 1.00 0.00 C ATOM 588 NZ LYS A 39 12.466 -7.711 10.168 1.00 0.00 N ATOM 0 H LYS A 39 10.819 -2.147 11.619 1.00 0.00 H new ATOM 0 HA LYS A 39 13.257 -3.393 12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.980 -3.302 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.403 -4.235 10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.729 -4.614 11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.187 -5.499 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.945 -5.460 12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.640 -6.615 12.526 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.953 -6.257 10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.834 -7.528 11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.768 -8.703 10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.453 -7.639 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.631 -7.372 9.199 1.00 0.00 H new ATOM 602 N ASN A 40 13.209 -0.770 10.654 1.00 0.00 N ATOM 603 CA ASN A 40 14.024 0.318 10.126 1.00 0.00 C ATOM 604 C ASN A 40 14.569 1.187 11.256 1.00 0.00 C ATOM 605 O ASN A 40 13.831 1.593 12.154 1.00 0.00 O ATOM 606 CB ASN A 40 13.205 1.175 9.159 1.00 0.00 C ATOM 607 CG ASN A 40 14.061 1.807 8.078 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.115 2.377 8.360 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.610 1.707 6.833 1.00 0.00 N ATOM 0 H ASN A 40 12.211 -0.678 10.467 1.00 0.00 H new ATOM 0 HA ASN A 40 14.865 -0.120 9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.435 0.559 8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.693 1.959 9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.143 2.112 6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.731 1.225 6.646 1.00 0.00 H new ATOM 616 N LYS A 41 15.867 1.469 11.205 1.00 0.00 N ATOM 617 CA LYS A 41 16.512 2.291 12.222 1.00 0.00 C ATOM 618 C LYS A 41 16.835 3.678 11.677 1.00 0.00 C ATOM 619 O LYS A 41 17.904 4.227 11.944 1.00 0.00 O ATOM 620 CB LYS A 41 17.793 1.614 12.717 1.00 0.00 C ATOM 621 CG LYS A 41 17.545 0.313 13.460 1.00 0.00 C ATOM 622 CD LYS A 41 17.475 -0.869 12.507 1.00 0.00 C ATOM 623 CE LYS A 41 18.852 -1.465 12.256 1.00 0.00 C ATOM 624 NZ LYS A 41 19.409 -2.109 13.477 1.00 0.00 N ATOM 0 H LYS A 41 16.493 1.140 10.470 1.00 0.00 H new ATOM 0 HA LYS A 41 15.820 2.401 13.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.443 1.418 11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.327 2.301 13.373 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.342 0.150 14.186 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.613 0.385 14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.817 -1.633 12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.038 -0.550 11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.788 -2.201 11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.530 -0.682 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.109 -2.827 13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.867 -1.389 14.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.641 -2.562 14.012 1.00 0.00 H new ATOM 638 N SER A 42 15.904 4.240 10.912 1.00 0.00 N ATOM 639 CA SER A 42 16.092 5.562 10.327 1.00 0.00 C ATOM 640 C SER A 42 14.890 6.457 10.612 1.00 0.00 C ATOM 641 O SER A 42 13.760 5.993 10.764 1.00 0.00 O ATOM 642 CB SER A 42 16.310 5.448 8.817 1.00 0.00 C ATOM 643 OG SER A 42 17.610 4.964 8.525 1.00 0.00 O ATOM 0 H SER A 42 15.013 3.800 10.683 1.00 0.00 H new ATOM 0 HA SER A 42 16.975 6.012 10.782 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.564 4.779 8.388 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.168 6.423 8.351 1.00 0.00 H new ATOM 0 HG SER A 42 17.724 4.898 7.554 1.00 0.00 H new ATOM 649 N PRO A 43 15.138 7.773 10.687 1.00 0.00 N ATOM 650 CA PRO A 43 14.090 8.763 10.954 1.00 0.00 C ATOM 651 C PRO A 43 13.123 8.913 9.785 1.00 0.00 C ATOM 652 O PRO A 43 11.905 8.899 9.968 1.00 0.00 O ATOM 653 CB PRO A 43 14.873 10.060 11.169 1.00 0.00 C ATOM 654 CG PRO A 43 16.145 9.864 10.419 1.00 0.00 C ATOM 655 CD PRO A 43 16.461 8.397 10.516 1.00 0.00 C ATOM 0 HA PRO A 43 13.468 8.479 11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.321 10.922 10.794 1.00 0.00 H new ATOM 0 HB3 PRO A 43 15.061 10.238 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 43 16.036 10.172 9.379 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.947 10.465 10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.963 8.034 9.619 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.118 8.182 11.359 1.00 0.00 H new ATOM 663 N ASP A 44 13.672 9.055 8.583 1.00 0.00 N ATOM 664 CA ASP A 44 12.857 9.206 7.383 1.00 0.00 C ATOM 665 C ASP A 44 11.888 8.037 7.234 1.00 0.00 C ATOM 666 O ASP A 44 10.745 8.215 6.814 1.00 0.00 O ATOM 667 CB ASP A 44 13.749 9.306 6.145 1.00 0.00 C ATOM 668 CG ASP A 44 14.548 10.594 6.110 1.00 0.00 C ATOM 669 OD1 ASP A 44 13.930 11.678 6.150 1.00 0.00 O ATOM 670 OD2 ASP A 44 15.793 10.517 6.044 1.00 0.00 O ATOM 0 H ASP A 44 14.678 9.069 8.414 1.00 0.00 H new ATOM 0 HA ASP A 44 12.278 10.124 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.432 8.457 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.131 9.241 5.249 1.00 0.00 H new ATOM 675 N ALA A 45 12.354 6.841 7.580 1.00 0.00 N ATOM 676 CA ALA A 45 11.528 5.644 7.485 1.00 0.00 C ATOM 677 C ALA A 45 10.150 5.877 8.094 1.00 0.00 C ATOM 678 O ALA A 45 9.129 5.666 7.441 1.00 0.00 O ATOM 679 CB ALA A 45 12.217 4.472 8.169 1.00 0.00 C ATOM 0 H ALA A 45 13.298 6.676 7.928 1.00 0.00 H new ATOM 0 HA ALA A 45 11.395 5.408 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.589 3.585 8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.176 4.282 7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.380 4.709 9.220 1.00 0.00 H new ATOM 685 N GLU A 46 10.129 6.314 9.350 1.00 0.00 N ATOM 686 CA GLU A 46 8.874 6.575 10.046 1.00 0.00 C ATOM 687 C GLU A 46 7.928 7.395 9.174 1.00 0.00 C ATOM 688 O GLU A 46 6.723 7.145 9.143 1.00 0.00 O ATOM 689 CB GLU A 46 9.139 7.310 11.362 1.00 0.00 C ATOM 690 CG GLU A 46 7.923 7.390 12.270 1.00 0.00 C ATOM 691 CD GLU A 46 8.204 8.142 13.556 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.472 9.360 13.485 1.00 0.00 O ATOM 693 OE2 GLU A 46 8.156 7.513 14.633 1.00 0.00 O ATOM 0 H GLU A 46 10.965 6.494 9.905 1.00 0.00 H new ATOM 0 HA GLU A 46 8.402 5.617 10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.946 6.806 11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.484 8.320 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.108 7.880 11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.586 6.381 12.509 1.00 0.00 H new ATOM 700 N ALA A 47 8.483 8.374 8.468 1.00 0.00 N ATOM 701 CA ALA A 47 7.690 9.230 7.594 1.00 0.00 C ATOM 702 C ALA A 47 7.200 8.463 6.371 1.00 0.00 C ATOM 703 O ALA A 47 6.005 8.444 6.074 1.00 0.00 O ATOM 704 CB ALA A 47 8.500 10.445 7.168 1.00 0.00 C ATOM 0 H ALA A 47 9.479 8.594 8.484 1.00 0.00 H new ATOM 0 HA ALA A 47 6.817 9.567 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.895 11.075 6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.795 11.013 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.391 10.118 6.632 1.00 0.00 H new ATOM 710 N LYS A 48 8.130 7.830 5.664 1.00 0.00 N ATOM 711 CA LYS A 48 7.793 7.060 4.472 1.00 0.00 C ATOM 712 C LYS A 48 6.596 6.151 4.732 1.00 0.00 C ATOM 713 O LYS A 48 5.601 6.198 4.009 1.00 0.00 O ATOM 714 CB LYS A 48 8.994 6.224 4.024 1.00 0.00 C ATOM 715 CG LYS A 48 10.082 7.037 3.344 1.00 0.00 C ATOM 716 CD LYS A 48 9.641 7.522 1.973 1.00 0.00 C ATOM 717 CE LYS A 48 9.998 6.519 0.886 1.00 0.00 C ATOM 718 NZ LYS A 48 11.409 6.668 0.435 1.00 0.00 N ATOM 0 H LYS A 48 9.123 7.835 5.896 1.00 0.00 H new ATOM 0 HA LYS A 48 7.529 7.760 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.418 5.719 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.651 5.448 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.342 7.893 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.982 6.430 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.564 7.691 1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.113 8.480 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.841 5.507 1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.329 6.652 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.613 5.967 -0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.553 7.625 0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.049 6.516 1.241 1.00 0.00 H new ATOM 732 N PHE A 49 6.699 5.326 5.768 1.00 0.00 N ATOM 733 CA PHE A 49 5.625 4.407 6.123 1.00 0.00 C ATOM 734 C PHE A 49 4.315 5.159 6.341 1.00 0.00 C ATOM 735 O PHE A 49 3.234 4.635 6.072 1.00 0.00 O ATOM 736 CB PHE A 49 5.991 3.623 7.385 1.00 0.00 C ATOM 737 CG PHE A 49 4.898 2.710 7.862 1.00 0.00 C ATOM 738 CD1 PHE A 49 3.880 3.191 8.670 1.00 0.00 C ATOM 739 CD2 PHE A 49 4.889 1.372 7.504 1.00 0.00 C ATOM 740 CE1 PHE A 49 2.872 2.354 9.112 1.00 0.00 C ATOM 741 CE2 PHE A 49 3.883 0.530 7.942 1.00 0.00 C ATOM 742 CZ PHE A 49 2.875 1.022 8.747 1.00 0.00 C ATOM 0 H PHE A 49 7.516 5.275 6.377 1.00 0.00 H new ATOM 0 HA PHE A 49 5.491 3.709 5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.887 3.033 7.190 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.239 4.326 8.180 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.874 4.232 8.958 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.676 0.982 6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.084 2.741 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.886 -0.511 7.655 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.089 0.366 9.091 1.00 0.00 H new ATOM 752 N ARG A 50 4.421 6.390 6.830 1.00 0.00 N ATOM 753 CA ARG A 50 3.246 7.215 7.086 1.00 0.00 C ATOM 754 C ARG A 50 2.463 7.459 5.799 1.00 0.00 C ATOM 755 O ARG A 50 1.274 7.774 5.836 1.00 0.00 O ATOM 756 CB ARG A 50 3.660 8.551 7.706 1.00 0.00 C ATOM 757 CG ARG A 50 2.538 9.245 8.461 1.00 0.00 C ATOM 758 CD ARG A 50 2.440 8.746 9.894 1.00 0.00 C ATOM 759 NE ARG A 50 1.685 9.664 10.743 1.00 0.00 N ATOM 760 CZ ARG A 50 1.583 9.531 12.060 1.00 0.00 C ATOM 761 NH1 ARG A 50 2.184 8.523 12.677 1.00 0.00 N ATOM 762 NH2 ARG A 50 0.877 10.408 12.764 1.00 0.00 N ATOM 0 H ARG A 50 5.309 6.838 7.057 1.00 0.00 H new ATOM 0 HA ARG A 50 2.603 6.682 7.786 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.495 8.383 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.019 9.212 6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.709 10.322 8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.592 9.072 7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.962 7.766 9.905 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.442 8.616 10.302 1.00 0.00 H new ATOM 0 HE ARG A 50 1.210 10.450 10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.727 7.847 12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.104 8.424 13.689 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.413 11.184 12.293 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.799 10.305 13.776 1.00 0.00 H new ATOM 776 N GLU A 51 3.139 7.312 4.664 1.00 0.00 N ATOM 777 CA GLU A 51 2.506 7.519 3.367 1.00 0.00 C ATOM 778 C GLU A 51 2.052 6.192 2.765 1.00 0.00 C ATOM 779 O GLU A 51 1.107 6.146 1.978 1.00 0.00 O ATOM 780 CB GLU A 51 3.470 8.222 2.410 1.00 0.00 C ATOM 781 CG GLU A 51 3.411 9.738 2.491 1.00 0.00 C ATOM 782 CD GLU A 51 4.559 10.407 1.759 1.00 0.00 C ATOM 783 OE1 GLU A 51 4.675 10.211 0.531 1.00 0.00 O ATOM 784 OE2 GLU A 51 5.340 11.127 2.415 1.00 0.00 O ATOM 0 H GLU A 51 4.124 7.051 4.616 1.00 0.00 H new ATOM 0 HA GLU A 51 1.630 8.150 3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.487 7.894 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.246 7.912 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.467 10.084 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.425 10.043 3.537 1.00 0.00 H new ATOM 791 N ILE A 52 2.734 5.115 3.141 1.00 0.00 N ATOM 792 CA ILE A 52 2.401 3.787 2.640 1.00 0.00 C ATOM 793 C ILE A 52 1.086 3.291 3.230 1.00 0.00 C ATOM 794 O ILE A 52 0.255 2.717 2.526 1.00 0.00 O ATOM 795 CB ILE A 52 3.512 2.770 2.961 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.884 3.357 2.626 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.282 1.476 2.195 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.997 2.332 2.629 1.00 0.00 C ATOM 0 H ILE A 52 3.520 5.136 3.791 1.00 0.00 H new ATOM 0 HA ILE A 52 2.301 3.873 1.558 1.00 0.00 H new ATOM 0 HB ILE A 52 3.484 2.548 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.838 3.829 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.121 4.140 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.075 0.767 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.319 1.051 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.287 1.681 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.941 2.819 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.070 1.877 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.783 1.561 1.889 1.00 0.00 H new ATOM 810 N ALA A 53 0.902 3.516 4.527 1.00 0.00 N ATOM 811 CA ALA A 53 -0.314 3.095 5.211 1.00 0.00 C ATOM 812 C ALA A 53 -1.529 3.855 4.689 1.00 0.00 C ATOM 813 O ALA A 53 -2.452 3.260 4.134 1.00 0.00 O ATOM 814 CB ALA A 53 -0.170 3.294 6.713 1.00 0.00 C ATOM 0 H ALA A 53 1.580 3.988 5.125 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.467 2.035 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.085 2.976 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.668 2.701 7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.011 4.348 6.925 1.00 0.00 H new ATOM 820 N GLU A 54 -1.521 5.171 4.871 1.00 0.00 N ATOM 821 CA GLU A 54 -2.624 6.011 4.419 1.00 0.00 C ATOM 822 C GLU A 54 -3.093 5.591 3.029 1.00 0.00 C ATOM 823 O GLU A 54 -4.292 5.484 2.773 1.00 0.00 O ATOM 824 CB GLU A 54 -2.202 7.482 4.404 1.00 0.00 C ATOM 825 CG GLU A 54 -3.264 8.414 3.846 1.00 0.00 C ATOM 826 CD GLU A 54 -4.575 8.324 4.602 1.00 0.00 C ATOM 827 OE1 GLU A 54 -4.553 8.454 5.844 1.00 0.00 O ATOM 828 OE2 GLU A 54 -5.622 8.123 3.953 1.00 0.00 O ATOM 0 H GLU A 54 -0.764 5.679 5.328 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.452 5.885 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.957 7.791 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.293 7.584 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.897 9.440 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.437 8.175 2.797 1.00 0.00 H new ATOM 835 N ALA A 55 -2.138 5.356 2.134 1.00 0.00 N ATOM 836 CA ALA A 55 -2.452 4.947 0.771 1.00 0.00 C ATOM 837 C ALA A 55 -3.183 3.608 0.754 1.00 0.00 C ATOM 838 O ALA A 55 -4.161 3.433 0.027 1.00 0.00 O ATOM 839 CB ALA A 55 -1.182 4.867 -0.062 1.00 0.00 C ATOM 0 H ALA A 55 -1.141 5.442 2.329 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.112 5.697 0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.432 4.560 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.701 5.845 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.502 4.139 0.380 1.00 0.00 H new ATOM 845 N TYR A 56 -2.702 2.667 1.559 1.00 0.00 N ATOM 846 CA TYR A 56 -3.308 1.343 1.634 1.00 0.00 C ATOM 847 C TYR A 56 -4.703 1.416 2.247 1.00 0.00 C ATOM 848 O TYR A 56 -5.679 0.961 1.651 1.00 0.00 O ATOM 849 CB TYR A 56 -2.426 0.401 2.456 1.00 0.00 C ATOM 850 CG TYR A 56 -3.148 -0.836 2.940 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.320 -1.934 2.107 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.659 -0.905 4.230 1.00 0.00 C ATOM 853 CE1 TYR A 56 -3.980 -3.066 2.545 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.319 -2.034 4.677 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.477 -3.112 3.831 1.00 0.00 C ATOM 856 OH TYR A 56 -5.135 -4.237 4.271 1.00 0.00 O ATOM 0 H TYR A 56 -1.895 2.797 2.169 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.397 0.954 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.570 0.099 1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.034 0.943 3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.931 -1.902 1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.538 -0.062 4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.106 -3.911 1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.709 -2.072 5.683 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.421 -4.107 5.199 1.00 0.00 H new ATOM 866 N GLU A 57 -4.788 1.994 3.441 1.00 0.00 N ATOM 867 CA GLU A 57 -6.063 2.127 4.136 1.00 0.00 C ATOM 868 C GLU A 57 -7.197 2.384 3.148 1.00 0.00 C ATOM 869 O GLU A 57 -8.254 1.757 3.220 1.00 0.00 O ATOM 870 CB GLU A 57 -5.996 3.263 5.159 1.00 0.00 C ATOM 871 CG GLU A 57 -5.065 2.977 6.325 1.00 0.00 C ATOM 872 CD GLU A 57 -5.499 3.671 7.602 1.00 0.00 C ATOM 873 OE1 GLU A 57 -5.845 4.869 7.537 1.00 0.00 O ATOM 874 OE2 GLU A 57 -5.494 3.016 8.665 1.00 0.00 O ATOM 0 H GLU A 57 -3.990 2.377 3.947 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.263 1.190 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.668 4.173 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.998 3.454 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.023 1.901 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.056 3.298 6.066 1.00 0.00 H new ATOM 881 N THR A 58 -6.969 3.312 2.223 1.00 0.00 N ATOM 882 CA THR A 58 -7.970 3.655 1.221 1.00 0.00 C ATOM 883 C THR A 58 -8.179 2.508 0.239 1.00 0.00 C ATOM 884 O THR A 58 -9.311 2.100 -0.024 1.00 0.00 O ATOM 885 CB THR A 58 -7.572 4.921 0.439 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.245 5.977 1.349 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.700 5.367 -0.479 1.00 0.00 C ATOM 0 H THR A 58 -6.099 3.839 2.148 1.00 0.00 H new ATOM 0 HA THR A 58 -8.900 3.846 1.756 1.00 0.00 H new ATOM 0 HB THR A 58 -6.700 4.685 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.690 6.643 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.396 6.263 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.926 4.572 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.587 5.586 0.115 1.00 0.00 H new ATOM 895 N LEU A 59 -7.081 1.992 -0.303 1.00 0.00 N ATOM 896 CA LEU A 59 -7.144 0.891 -1.257 1.00 0.00 C ATOM 897 C LEU A 59 -7.413 -0.432 -0.546 1.00 0.00 C ATOM 898 O LEU A 59 -7.458 -1.489 -1.175 1.00 0.00 O ATOM 899 CB LEU A 59 -5.839 0.801 -2.049 1.00 0.00 C ATOM 900 CG LEU A 59 -5.379 2.088 -2.735 1.00 0.00 C ATOM 901 CD1 LEU A 59 -3.995 1.907 -3.338 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.378 2.509 -3.803 1.00 0.00 C ATOM 0 H LEU A 59 -6.137 2.319 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.967 1.086 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.050 0.471 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.952 0.028 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.325 2.877 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.685 2.833 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.285 1.654 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.021 1.104 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.035 3.427 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.465 1.721 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.351 2.682 -3.343 1.00 0.00 H new ATOM 914 N SER A 60 -7.592 -0.364 0.769 1.00 0.00 N ATOM 915 CA SER A 60 -7.855 -1.557 1.567 1.00 0.00 C ATOM 916 C SER A 60 -9.355 -1.816 1.679 1.00 0.00 C ATOM 917 O SER A 60 -9.823 -2.928 1.435 1.00 0.00 O ATOM 918 CB SER A 60 -7.247 -1.407 2.963 1.00 0.00 C ATOM 919 OG SER A 60 -7.940 -2.201 3.910 1.00 0.00 O ATOM 0 H SER A 60 -7.560 0.503 1.305 1.00 0.00 H new ATOM 0 HA SER A 60 -7.393 -2.408 1.066 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.197 -1.698 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.281 -0.361 3.267 1.00 0.00 H new ATOM 0 HG SER A 60 -7.531 -2.088 4.793 1.00 0.00 H new ATOM 925 N ASP A 61 -10.101 -0.781 2.049 1.00 0.00 N ATOM 926 CA ASP A 61 -11.548 -0.895 2.193 1.00 0.00 C ATOM 927 C ASP A 61 -12.228 -0.933 0.828 1.00 0.00 C ATOM 928 O ASP A 61 -11.608 -0.642 -0.194 1.00 0.00 O ATOM 929 CB ASP A 61 -12.093 0.273 3.016 1.00 0.00 C ATOM 930 CG ASP A 61 -12.128 -0.032 4.501 1.00 0.00 C ATOM 931 OD1 ASP A 61 -11.305 -0.853 4.958 1.00 0.00 O ATOM 932 OD2 ASP A 61 -12.977 0.552 5.206 1.00 0.00 O ATOM 0 H ASP A 61 -9.728 0.146 2.255 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.765 -1.828 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.476 1.155 2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.099 0.516 2.674 1.00 0.00 H new ATOM 937 N ALA A 62 -13.507 -1.295 0.820 1.00 0.00 N ATOM 938 CA ALA A 62 -14.271 -1.370 -0.419 1.00 0.00 C ATOM 939 C ALA A 62 -14.740 0.012 -0.860 1.00 0.00 C ATOM 940 O ALA A 62 -14.277 0.543 -1.868 1.00 0.00 O ATOM 941 CB ALA A 62 -15.461 -2.304 -0.249 1.00 0.00 C ATOM 0 H ALA A 62 -14.035 -1.541 1.657 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.618 -1.768 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.023 -2.351 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.106 -3.301 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.107 -1.930 0.545 1.00 0.00 H new ATOM 947 N ASN A 63 -15.662 0.590 -0.097 1.00 0.00 N ATOM 948 CA ASN A 63 -16.195 1.911 -0.410 1.00 0.00 C ATOM 949 C ASN A 63 -15.067 2.920 -0.606 1.00 0.00 C ATOM 950 O ASN A 63 -15.082 3.706 -1.554 1.00 0.00 O ATOM 951 CB ASN A 63 -17.129 2.385 0.705 1.00 0.00 C ATOM 952 CG ASN A 63 -18.203 1.365 1.032 1.00 0.00 C ATOM 953 OD1 ASN A 63 -17.960 0.158 0.998 1.00 0.00 O ATOM 954 ND2 ASN A 63 -19.399 1.846 1.350 1.00 0.00 N ATOM 0 H ASN A 63 -16.056 0.164 0.742 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.759 1.837 -1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.544 2.593 1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.600 3.322 0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -20.161 1.208 1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.556 2.854 1.366 1.00 0.00 H new ATOM 961 N ARG A 64 -14.091 2.890 0.295 1.00 0.00 N ATOM 962 CA ARG A 64 -12.956 3.802 0.221 1.00 0.00 C ATOM 963 C ARG A 64 -12.234 3.664 -1.116 1.00 0.00 C ATOM 964 O ARG A 64 -12.074 4.640 -1.850 1.00 0.00 O ATOM 965 CB ARG A 64 -11.981 3.531 1.369 1.00 0.00 C ATOM 966 CG ARG A 64 -12.513 3.948 2.731 1.00 0.00 C ATOM 967 CD ARG A 64 -11.397 4.046 3.759 1.00 0.00 C ATOM 968 NE ARG A 64 -11.796 4.826 4.927 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.952 6.145 4.911 1.00 0.00 C ATOM 970 NH1 ARG A 64 -11.744 6.828 3.794 1.00 0.00 N ATOM 971 NH2 ARG A 64 -12.317 6.785 6.015 1.00 0.00 N ATOM 0 H ARG A 64 -14.063 2.245 1.084 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.334 4.821 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.745 2.467 1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.048 4.060 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.017 4.911 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.258 3.227 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.106 3.044 4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.520 4.503 3.300 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.964 4.331 5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.463 6.341 2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.865 7.841 3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.478 6.264 6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.436 7.798 6.001 1.00 0.00 H new ATOM 985 N ARG A 65 -11.799 2.447 -1.425 1.00 0.00 N ATOM 986 CA ARG A 65 -11.092 2.182 -2.673 1.00 0.00 C ATOM 987 C ARG A 65 -12.001 2.423 -3.874 1.00 0.00 C ATOM 988 O ARG A 65 -11.537 2.784 -4.956 1.00 0.00 O ATOM 989 CB ARG A 65 -10.572 0.744 -2.694 1.00 0.00 C ATOM 990 CG ARG A 65 -9.735 0.416 -3.919 1.00 0.00 C ATOM 991 CD ARG A 65 -10.592 -0.132 -5.049 1.00 0.00 C ATOM 992 NE ARG A 65 -9.784 -0.723 -6.112 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.287 -1.467 -7.091 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.590 -1.709 -7.141 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.487 -1.971 -8.022 1.00 0.00 N ATOM 0 H ARG A 65 -11.923 1.629 -0.829 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.247 2.867 -2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.974 0.570 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.419 0.060 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.216 1.313 -4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.970 -0.314 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.276 -0.883 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.203 0.670 -5.462 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.778 -0.555 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.208 -1.324 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.974 -2.280 -7.894 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.484 -1.787 -7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.875 -2.542 -8.773 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.300 2.221 -3.677 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.276 2.416 -4.743 1.00 0.00 C ATOM 1011 C LYS A 66 -14.373 3.889 -5.128 1.00 0.00 C ATOM 1012 O LYS A 66 -14.433 4.227 -6.309 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.649 1.901 -4.306 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.642 1.774 -5.448 1.00 0.00 C ATOM 1015 CD LYS A 66 -18.071 1.693 -4.937 1.00 0.00 C ATOM 1016 CE LYS A 66 -18.592 3.059 -4.520 1.00 0.00 C ATOM 1017 NZ LYS A 66 -20.080 3.090 -4.457 1.00 0.00 N ATOM 0 H LYS A 66 -13.701 1.922 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.944 1.851 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.528 0.928 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.058 2.575 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.541 2.629 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.413 0.884 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.713 1.279 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.117 1.010 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.182 3.322 -3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.243 3.812 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.396 4.038 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.472 2.864 -5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.413 2.389 -3.764 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.386 4.759 -4.123 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.475 6.196 -4.359 1.00 0.00 C ATOM 1033 C GLU A 67 -13.191 6.724 -4.991 1.00 0.00 C ATOM 1034 O GLU A 67 -13.227 7.427 -6.001 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.752 6.934 -3.047 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.082 6.566 -2.411 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.682 7.707 -1.613 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.923 8.396 -0.899 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.911 7.912 -1.702 1.00 0.00 O ATOM 0 H GLU A 67 -14.336 4.495 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.299 6.375 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.949 6.718 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.732 8.008 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.782 6.265 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.942 5.705 -1.758 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.058 6.381 -4.389 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.762 6.823 -4.890 1.00 0.00 C ATOM 1048 C TYR A 68 -10.571 6.407 -6.346 1.00 0.00 C ATOM 1049 O TYR A 68 -9.742 6.972 -7.060 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.635 6.246 -4.031 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.255 6.499 -4.594 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.742 7.788 -4.674 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.464 5.450 -5.045 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.482 8.025 -5.188 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.201 5.677 -5.558 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.715 6.966 -5.628 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.459 7.196 -6.140 1.00 0.00 O ATOM 0 H TYR A 68 -12.011 5.798 -3.553 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.731 7.911 -4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.695 6.676 -3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.784 5.171 -3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.339 8.619 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.842 4.440 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.100 9.033 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.598 4.850 -5.902 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.234 6.492 -6.784 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.344 5.417 -6.778 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.262 4.926 -8.149 1.00 0.00 C ATOM 1069 C ASP A 69 -12.261 5.650 -9.046 1.00 0.00 C ATOM 1070 O ASP A 69 -11.959 5.974 -10.195 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.521 3.419 -8.189 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.816 2.741 -9.348 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -10.977 3.209 -10.494 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -10.105 1.743 -9.109 1.00 0.00 O ATOM 0 H ASP A 69 -12.034 4.939 -6.199 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.257 5.125 -8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.188 2.971 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.593 3.239 -8.265 1.00 0.00 H new ATOM 1079 N THR A 70 -13.453 5.901 -8.514 1.00 0.00 N ATOM 1080 CA THR A 70 -14.497 6.585 -9.267 1.00 0.00 C ATOM 1081 C THR A 70 -14.276 8.093 -9.269 1.00 0.00 C ATOM 1082 O THR A 70 -14.842 8.812 -10.093 1.00 0.00 O ATOM 1083 CB THR A 70 -15.894 6.283 -8.691 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.891 6.471 -9.701 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.194 7.182 -7.501 1.00 0.00 C ATOM 0 H THR A 70 -13.719 5.641 -7.564 1.00 0.00 H new ATOM 0 HA THR A 70 -14.445 6.212 -10.290 1.00 0.00 H new ATOM 0 HB THR A 70 -15.909 5.246 -8.356 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.776 6.276 -9.328 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.185 6.951 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.450 7.015 -6.722 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.162 8.225 -7.816 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.449 8.566 -8.343 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.152 9.990 -8.238 1.00 0.00 C ATOM 1095 C LEU A 71 -11.705 10.274 -8.627 1.00 0.00 C ATOM 1096 O LEU A 71 -11.429 11.178 -9.416 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.416 10.483 -6.815 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.834 10.274 -6.284 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.865 10.420 -4.770 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.798 11.256 -6.935 1.00 0.00 C ATOM 0 H LEU A 71 -12.972 7.984 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.806 10.524 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.720 9.980 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.187 11.548 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.150 9.262 -6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.883 10.268 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.206 9.678 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.528 11.419 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.803 11.092 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.484 12.276 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.799 11.104 -8.014 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.783 9.495 -8.070 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.376 9.677 -8.373 1.00 0.00 C ATOM 1114 C GLY A 72 -8.604 10.263 -7.207 1.00 0.00 C ATOM 1115 O GLY A 72 -9.076 10.250 -6.070 1.00 0.00 O ATOM 0 H GLY A 72 -10.986 8.741 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.939 8.717 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.275 10.333 -9.238 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.411 10.778 -7.489 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.571 11.371 -6.454 1.00 0.00 C ATOM 1121 C HIS A 73 -6.712 12.890 -6.444 1.00 0.00 C ATOM 1122 O HIS A 73 -6.057 13.579 -5.662 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.107 10.985 -6.673 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.205 11.397 -5.551 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.753 10.521 -4.587 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.669 12.602 -5.243 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -2.980 11.168 -3.734 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.912 12.433 -4.110 1.00 0.00 N ATOM 0 H HIS A 73 -7.005 10.797 -8.424 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.901 10.987 -5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.040 9.905 -6.804 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.754 11.441 -7.598 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.811 13.524 -5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.487 10.737 -2.875 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.383 13.165 -3.636 1.00 0.00 H new ATOM 1136 N SER A 74 -7.570 13.406 -7.318 1.00 0.00 N ATOM 1137 CA SER A 74 -7.794 14.843 -7.413 1.00 0.00 C ATOM 1138 C SER A 74 -9.204 15.205 -6.954 1.00 0.00 C ATOM 1139 O SER A 74 -9.442 16.303 -6.451 1.00 0.00 O ATOM 1140 CB SER A 74 -7.575 15.322 -8.849 1.00 0.00 C ATOM 1141 OG SER A 74 -8.496 14.712 -9.736 1.00 0.00 O ATOM 0 H SER A 74 -8.122 12.849 -7.971 1.00 0.00 H new ATOM 0 HA SER A 74 -7.078 15.340 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.684 16.406 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.557 15.091 -9.162 1.00 0.00 H new ATOM 0 HG SER A 74 -8.336 15.036 -10.647 1.00 0.00 H new ATOM 1147 N ALA A 75 -10.134 14.273 -7.131 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.520 14.492 -6.734 1.00 0.00 C ATOM 1149 C ALA A 75 -11.783 13.944 -5.336 1.00 0.00 C ATOM 1150 O ALA A 75 -12.355 14.628 -4.488 1.00 0.00 O ATOM 1151 CB ALA A 75 -12.464 13.851 -7.741 1.00 0.00 C ATOM 0 H ALA A 75 -9.953 13.359 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.702 15.567 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.495 14.022 -7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.301 14.292 -8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.272 12.779 -7.788 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.362 12.705 -5.102 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.554 12.065 -3.806 1.00 0.00 C ATOM 1159 C PHE A 76 -10.888 12.872 -2.696 1.00 0.00 C ATOM 1160 O PHE A 76 -11.448 13.041 -1.612 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.989 10.643 -3.827 1.00 0.00 C ATOM 1162 CG PHE A 76 -11.119 9.926 -2.514 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -12.339 9.408 -2.110 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -10.021 9.770 -1.683 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -12.462 8.749 -0.901 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -10.138 9.112 -0.473 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.359 8.600 -0.082 1.00 0.00 C ATOM 0 H PHE A 76 -10.886 12.125 -5.793 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.625 12.021 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.502 10.068 -4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.936 10.683 -4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.204 9.520 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.063 10.167 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.419 8.351 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.275 8.999 0.166 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.452 8.084 0.862 1.00 0.00 H new