USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 524 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 56 TYR OH : rot -30:sc= 0.669 USER MOD Set 1.2: A 67 SER OG : rot -91:sc= 0.662 USER MOD Set 1.3: A 71 THR OG1 : rot 144:sc= 0.707 USER MOD Set 1.4: A 74 LYS NZ :NH3+ 163:sc= -0.373 (180deg=-0.773) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 34 LYS NZ :NH3+ 172:sc= 1.24 (180deg=0.856) USER MOD Set 3.1: A 23 TYR OH : rot -130:sc= -2.14 USER MOD Set 3.2: A 45 TYR OH : rot 151:sc= 0.719 USER MOD Set 3.3: A 73 HIS : no HE2:sc= -4.9! K(o=-6.3!,f=-3.2) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 35:sc= 0.001 USER MOD Single : A 40 HIS : no HD1:sc= -0.384 K(o=-0.38,f=-1.9) USER MOD Single : A 42 GLN : amide:sc= -0.426 K(o=-0.43,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc=-0.00652 (180deg=-0.109) USER MOD Single : A 50 ASN : amide:sc= -0.0295 X(o=-0.03,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.69) USER MOD Single : A 94 LYS NZ :NH3+ -150:sc= 0.835 (180deg=0.31) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 22 1.380 -5.959 4.270 1.00 0.68 N ATOM 2 CA PRO A 22 2.739 -6.500 4.300 1.00 0.81 C ATOM 3 C PRO A 22 3.668 -5.699 5.210 1.00 0.62 C ATOM 4 O PRO A 22 4.719 -6.186 5.623 1.00 0.76 O ATOM 5 CB PRO A 22 3.210 -6.394 2.842 1.00 0.95 C ATOM 6 CG PRO A 22 1.986 -6.072 2.057 1.00 0.89 C ATOM 7 CD PRO A 22 1.095 -5.314 2.989 1.00 0.64 C ATOM 0 HA PRO A 22 2.754 -7.516 4.694 1.00 0.81 H new ATOM 0 HB2 PRO A 22 3.966 -5.617 2.728 1.00 0.95 H new ATOM 0 HB3 PRO A 22 3.659 -7.328 2.505 1.00 0.95 H new ATOM 0 HG2 PRO A 22 2.230 -5.476 1.178 1.00 0.89 H new ATOM 0 HG3 PRO A 22 1.499 -6.980 1.701 1.00 0.89 H new ATOM 0 HD2 PRO A 22 1.332 -4.250 3.006 1.00 0.64 H new ATOM 0 HD3 PRO A 22 0.044 -5.402 2.712 1.00 0.64 H new ATOM 15 N TYR A 23 3.273 -4.467 5.519 1.00 0.49 N ATOM 16 CA TYR A 23 4.066 -3.598 6.380 1.00 0.51 C ATOM 17 C TYR A 23 3.303 -3.272 7.658 1.00 0.77 C ATOM 18 O TYR A 23 2.083 -3.108 7.632 1.00 1.47 O ATOM 19 CB TYR A 23 4.429 -2.318 5.629 1.00 0.50 C ATOM 20 CG TYR A 23 5.103 -2.592 4.305 1.00 0.32 C ATOM 21 CD1 TYR A 23 6.030 -3.618 4.186 1.00 0.40 C ATOM 22 CD2 TYR A 23 4.801 -1.844 3.174 1.00 0.42 C ATOM 23 CE1 TYR A 23 6.640 -3.890 2.981 1.00 0.38 C ATOM 24 CE2 TYR A 23 5.407 -2.112 1.961 1.00 0.49 C ATOM 25 CZ TYR A 23 6.325 -3.137 1.869 1.00 0.32 C ATOM 26 OH TYR A 23 6.929 -3.411 0.663 1.00 0.58 O ATOM 0 H TYR A 23 2.405 -4.048 5.184 1.00 0.49 H new ATOM 0 HA TYR A 23 4.984 -4.116 6.657 1.00 0.51 H new ATOM 0 HB2 TYR A 23 3.525 -1.733 5.458 1.00 0.50 H new ATOM 0 HB3 TYR A 23 5.089 -1.712 6.250 1.00 0.50 H new ATOM 0 HD1 TYR A 23 6.277 -4.213 5.053 1.00 0.40 H new ATOM 0 HD2 TYR A 23 4.082 -1.041 3.244 1.00 0.42 H new ATOM 0 HE1 TYR A 23 7.362 -4.690 2.907 1.00 0.38 H new ATOM 0 HE2 TYR A 23 5.163 -1.522 1.090 1.00 0.49 H new ATOM 0 HH TYR A 23 7.287 -2.583 0.281 1.00 0.58 H new ATOM 36 N LYS A 24 4.011 -3.204 8.782 1.00 0.58 N ATOM 37 CA LYS A 24 3.364 -2.926 10.059 1.00 0.74 C ATOM 38 C LYS A 24 3.859 -1.633 10.699 1.00 0.46 C ATOM 39 O LYS A 24 3.062 -0.874 11.252 1.00 0.48 O ATOM 40 CB LYS A 24 3.579 -4.097 11.023 1.00 1.13 C ATOM 41 CG LYS A 24 2.292 -4.721 11.552 1.00 1.69 C ATOM 42 CD LYS A 24 1.235 -4.884 10.464 1.00 2.10 C ATOM 43 CE LYS A 24 0.021 -4.010 10.740 1.00 2.94 C ATOM 44 NZ LYS A 24 -0.726 -3.686 9.495 1.00 3.49 N ATOM 0 H LYS A 24 5.021 -3.336 8.835 1.00 0.58 H new ATOM 0 HA LYS A 24 2.300 -2.800 9.856 1.00 0.74 H new ATOM 0 HB2 LYS A 24 4.160 -4.867 10.516 1.00 1.13 H new ATOM 0 HB3 LYS A 24 4.175 -3.752 11.868 1.00 1.13 H new ATOM 0 HG2 LYS A 24 2.516 -5.695 11.986 1.00 1.69 H new ATOM 0 HG3 LYS A 24 1.892 -4.099 12.353 1.00 1.69 H new ATOM 0 HD2 LYS A 24 1.662 -4.622 9.496 1.00 2.10 H new ATOM 0 HD3 LYS A 24 0.928 -5.928 10.405 1.00 2.10 H new ATOM 0 HE2 LYS A 24 -0.642 -4.520 11.438 1.00 2.94 H new ATOM 0 HE3 LYS A 24 0.341 -3.086 11.222 1.00 2.94 H new ATOM 0 HZ1 LYS A 24 -1.545 -3.089 9.727 1.00 3.49 H new ATOM 0 HZ2 LYS A 24 -0.101 -3.176 8.838 1.00 3.49 H new ATOM 0 HZ3 LYS A 24 -1.054 -4.566 9.048 1.00 3.49 H new ATOM 58 N THR A 25 5.163 -1.377 10.648 1.00 0.51 N ATOM 59 CA THR A 25 5.706 -0.167 11.252 1.00 0.54 C ATOM 60 C THR A 25 6.536 0.660 10.266 1.00 0.71 C ATOM 61 O THR A 25 6.304 1.857 10.105 1.00 1.50 O ATOM 62 CB THR A 25 6.523 -0.537 12.483 1.00 0.71 C ATOM 63 OG1 THR A 25 7.590 -1.405 12.145 1.00 0.98 O ATOM 64 CG2 THR A 25 5.694 -1.224 13.548 1.00 0.57 C ATOM 0 H THR A 25 5.853 -1.981 10.202 1.00 0.51 H new ATOM 0 HA THR A 25 4.869 0.465 11.549 1.00 0.54 H new ATOM 0 HB THR A 25 6.902 0.406 12.877 1.00 0.71 H new ATOM 0 HG1 THR A 25 8.100 -1.626 12.952 1.00 0.98 H new ATOM 0 HG21 THR A 25 6.327 -1.465 14.402 1.00 0.57 H new ATOM 0 HG22 THR A 25 4.890 -0.561 13.867 1.00 0.57 H new ATOM 0 HG23 THR A 25 5.268 -2.141 13.142 1.00 0.57 H new ATOM 72 N LYS A 26 7.503 0.010 9.621 1.00 0.34 N ATOM 73 CA LYS A 26 8.386 0.666 8.652 1.00 0.34 C ATOM 74 C LYS A 26 9.513 -0.282 8.269 1.00 0.39 C ATOM 75 O LYS A 26 9.771 -0.519 7.090 1.00 0.42 O ATOM 76 CB LYS A 26 8.976 1.965 9.226 1.00 0.42 C ATOM 77 CG LYS A 26 9.615 2.872 8.187 1.00 0.66 C ATOM 78 CD LYS A 26 9.800 4.281 8.736 1.00 0.83 C ATOM 79 CE LYS A 26 10.876 4.320 9.810 1.00 0.99 C ATOM 80 NZ LYS A 26 10.775 5.541 10.659 1.00 1.34 N ATOM 0 H LYS A 26 7.698 -0.982 9.753 1.00 0.34 H new ATOM 0 HA LYS A 26 7.798 0.920 7.770 1.00 0.34 H new ATOM 0 HB2 LYS A 26 8.185 2.516 9.736 1.00 0.42 H new ATOM 0 HB3 LYS A 26 9.723 1.710 9.978 1.00 0.42 H new ATOM 0 HG2 LYS A 26 10.580 2.465 7.887 1.00 0.66 H new ATOM 0 HG3 LYS A 26 8.991 2.904 7.294 1.00 0.66 H new ATOM 0 HD2 LYS A 26 10.069 4.957 7.924 1.00 0.83 H new ATOM 0 HD3 LYS A 26 8.857 4.639 9.150 1.00 0.83 H new ATOM 0 HE2 LYS A 26 10.793 3.434 10.439 1.00 0.99 H new ATOM 0 HE3 LYS A 26 11.859 4.286 9.340 1.00 0.99 H new ATOM 0 HZ1 LYS A 26 11.527 5.527 11.378 1.00 1.34 H new ATOM 0 HZ2 LYS A 26 10.880 6.387 10.064 1.00 1.34 H new ATOM 0 HZ3 LYS A 26 9.847 5.561 11.129 1.00 1.34 H new ATOM 94 N SER A 27 10.169 -0.837 9.284 1.00 0.45 N ATOM 95 CA SER A 27 11.257 -1.779 9.070 1.00 0.54 C ATOM 96 C SER A 27 10.758 -2.995 8.293 1.00 0.50 C ATOM 97 O SER A 27 11.533 -3.683 7.629 1.00 0.52 O ATOM 98 CB SER A 27 11.857 -2.207 10.409 1.00 0.66 C ATOM 99 OG SER A 27 12.892 -3.165 10.239 1.00 1.66 O ATOM 0 H SER A 27 9.963 -0.648 10.265 1.00 0.45 H new ATOM 0 HA SER A 27 12.035 -1.290 8.484 1.00 0.54 H new ATOM 0 HB2 SER A 27 12.252 -1.333 10.927 1.00 0.66 H new ATOM 0 HB3 SER A 27 11.074 -2.626 11.041 1.00 0.66 H new ATOM 0 HG SER A 27 13.254 -3.415 11.115 1.00 1.66 H new ATOM 105 N ASP A 28 9.451 -3.246 8.369 1.00 0.49 N ATOM 106 CA ASP A 28 8.847 -4.365 7.656 1.00 0.49 C ATOM 107 C ASP A 28 9.035 -4.210 6.148 1.00 0.48 C ATOM 108 O ASP A 28 8.880 -5.168 5.393 1.00 0.66 O ATOM 109 CB ASP A 28 7.353 -4.458 7.983 1.00 0.50 C ATOM 110 CG ASP A 28 7.089 -5.148 9.307 1.00 1.20 C ATOM 111 OD1 ASP A 28 7.785 -4.829 10.294 1.00 1.87 O ATOM 112 OD2 ASP A 28 6.184 -6.009 9.358 1.00 1.58 O ATOM 0 H ASP A 28 8.794 -2.690 8.916 1.00 0.49 H new ATOM 0 HA ASP A 28 9.343 -5.281 7.978 1.00 0.49 H new ATOM 0 HB2 ASP A 28 6.927 -3.455 8.009 1.00 0.50 H new ATOM 0 HB3 ASP A 28 6.843 -5.000 7.187 1.00 0.50 H new ATOM 117 N LEU A 29 9.358 -2.990 5.718 1.00 0.42 N ATOM 118 CA LEU A 29 9.556 -2.698 4.302 1.00 0.42 C ATOM 119 C LEU A 29 10.612 -3.602 3.670 1.00 0.51 C ATOM 120 O LEU A 29 11.370 -4.275 4.367 1.00 0.59 O ATOM 121 CB LEU A 29 9.960 -1.237 4.122 1.00 0.40 C ATOM 122 CG LEU A 29 8.845 -0.221 4.368 1.00 0.30 C ATOM 123 CD1 LEU A 29 9.406 1.191 4.381 1.00 0.24 C ATOM 124 CD2 LEU A 29 7.758 -0.352 3.314 1.00 0.34 C ATOM 0 H LEU A 29 9.488 -2.187 6.334 1.00 0.42 H new ATOM 0 HA LEU A 29 8.609 -2.888 3.796 1.00 0.42 H new ATOM 0 HB2 LEU A 29 10.786 -1.018 4.799 1.00 0.40 H new ATOM 0 HB3 LEU A 29 10.336 -1.102 3.108 1.00 0.40 H new ATOM 0 HG LEU A 29 8.403 -0.427 5.343 1.00 0.30 H new ATOM 0 HD11 LEU A 29 8.599 1.902 4.557 1.00 0.24 H new ATOM 0 HD12 LEU A 29 10.148 1.280 5.175 1.00 0.24 H new ATOM 0 HD13 LEU A 29 9.875 1.405 3.420 1.00 0.24 H new ATOM 0 HD21 LEU A 29 6.974 0.380 3.507 1.00 0.34 H new ATOM 0 HD22 LEU A 29 8.185 -0.174 2.327 1.00 0.34 H new ATOM 0 HD23 LEU A 29 7.334 -1.356 3.351 1.00 0.34 H new ATOM 136 N PRO A 30 10.658 -3.631 2.325 1.00 0.50 N ATOM 137 CA PRO A 30 11.607 -4.451 1.566 1.00 0.55 C ATOM 138 C PRO A 30 13.054 -4.004 1.742 1.00 0.57 C ATOM 139 O PRO A 30 13.360 -2.815 1.715 1.00 0.98 O ATOM 140 CB PRO A 30 11.167 -4.253 0.106 1.00 0.53 C ATOM 141 CG PRO A 30 9.797 -3.694 0.182 1.00 0.58 C ATOM 142 CD PRO A 30 9.774 -2.872 1.431 1.00 0.48 C ATOM 0 HA PRO A 30 11.591 -5.488 1.900 1.00 0.55 H new ATOM 0 HB2 PRO A 30 11.840 -3.575 -0.419 1.00 0.53 H new ATOM 0 HB3 PRO A 30 11.177 -5.197 -0.439 1.00 0.53 H new ATOM 0 HG2 PRO A 30 9.572 -3.085 -0.694 1.00 0.58 H new ATOM 0 HG3 PRO A 30 9.050 -4.487 0.219 1.00 0.58 H new ATOM 0 HD2 PRO A 30 10.142 -1.861 1.258 1.00 0.48 H new ATOM 0 HD3 PRO A 30 8.767 -2.780 1.838 1.00 0.48 H new ATOM 150 N GLU A 31 13.944 -4.975 1.919 1.00 0.57 N ATOM 151 CA GLU A 31 15.364 -4.687 2.094 1.00 0.53 C ATOM 152 C GLU A 31 15.857 -3.731 1.011 1.00 0.32 C ATOM 153 O GLU A 31 16.457 -2.704 1.311 1.00 0.55 O ATOM 154 CB GLU A 31 16.177 -5.983 2.068 1.00 0.67 C ATOM 155 CG GLU A 31 16.002 -6.794 0.793 1.00 1.21 C ATOM 156 CD GLU A 31 16.097 -8.288 1.034 1.00 2.01 C ATOM 157 OE1 GLU A 31 15.504 -8.766 2.023 1.00 2.34 O ATOM 158 OE2 GLU A 31 16.762 -8.977 0.233 1.00 2.85 O ATOM 0 H GLU A 31 13.708 -5.967 1.945 1.00 0.57 H new ATOM 0 HA GLU A 31 15.500 -4.208 3.064 1.00 0.53 H new ATOM 0 HB2 GLU A 31 17.233 -5.741 2.191 1.00 0.67 H new ATOM 0 HB3 GLU A 31 15.890 -6.598 2.921 1.00 0.67 H new ATOM 0 HG2 GLU A 31 15.034 -6.562 0.350 1.00 1.21 H new ATOM 0 HG3 GLU A 31 16.763 -6.497 0.071 1.00 1.21 H new ATOM 165 N SER A 32 15.576 -4.059 -0.246 1.00 0.22 N ATOM 166 CA SER A 32 15.978 -3.213 -1.363 1.00 0.47 C ATOM 167 C SER A 32 15.364 -1.819 -1.243 1.00 0.72 C ATOM 168 O SER A 32 15.785 -0.885 -1.924 1.00 1.38 O ATOM 169 CB SER A 32 15.560 -3.848 -2.686 1.00 0.58 C ATOM 170 OG SER A 32 14.215 -4.291 -2.637 1.00 1.23 O ATOM 0 H SER A 32 15.072 -4.904 -0.516 1.00 0.22 H new ATOM 0 HA SER A 32 17.063 -3.117 -1.338 1.00 0.47 H new ATOM 0 HB2 SER A 32 15.679 -3.125 -3.493 1.00 0.58 H new ATOM 0 HB3 SER A 32 16.215 -4.689 -2.912 1.00 0.58 H new ATOM 0 HG SER A 32 13.971 -4.692 -3.497 1.00 1.23 H new ATOM 176 N VAL A 33 14.380 -1.685 -0.356 1.00 0.25 N ATOM 177 CA VAL A 33 13.724 -0.408 -0.123 1.00 0.32 C ATOM 178 C VAL A 33 14.385 0.303 1.054 1.00 0.34 C ATOM 179 O VAL A 33 14.811 1.450 0.949 1.00 0.45 O ATOM 180 CB VAL A 33 12.218 -0.596 0.161 1.00 0.36 C ATOM 181 CG1 VAL A 33 11.547 0.726 0.513 1.00 0.38 C ATOM 182 CG2 VAL A 33 11.537 -1.235 -1.036 1.00 0.48 C ATOM 0 H VAL A 33 14.021 -2.451 0.214 1.00 0.25 H new ATOM 0 HA VAL A 33 13.827 0.197 -1.024 1.00 0.32 H new ATOM 0 HB VAL A 33 12.118 -1.256 1.022 1.00 0.36 H new ATOM 0 HG11 VAL A 33 10.488 0.556 0.707 1.00 0.38 H new ATOM 0 HG12 VAL A 33 12.016 1.146 1.403 1.00 0.38 H new ATOM 0 HG13 VAL A 33 11.657 1.422 -0.318 1.00 0.38 H new ATOM 0 HG21 VAL A 33 10.475 -1.363 -0.825 1.00 0.48 H new ATOM 0 HG22 VAL A 33 11.659 -0.594 -1.909 1.00 0.48 H new ATOM 0 HG23 VAL A 33 11.987 -2.208 -1.235 1.00 0.48 H new ATOM 192 N LYS A 34 14.464 -0.399 2.176 1.00 0.34 N ATOM 193 CA LYS A 34 15.075 0.141 3.382 1.00 0.41 C ATOM 194 C LYS A 34 16.573 0.374 3.174 1.00 0.40 C ATOM 195 O LYS A 34 17.158 1.283 3.764 1.00 0.42 O ATOM 196 CB LYS A 34 14.870 -0.834 4.539 1.00 0.42 C ATOM 197 CG LYS A 34 13.411 -1.135 4.826 1.00 0.44 C ATOM 198 CD LYS A 34 13.262 -2.162 5.937 1.00 0.59 C ATOM 199 CE LYS A 34 13.955 -3.472 5.592 1.00 0.66 C ATOM 200 NZ LYS A 34 13.928 -4.431 6.731 1.00 1.25 N ATOM 0 H LYS A 34 14.110 -1.350 2.276 1.00 0.34 H new ATOM 0 HA LYS A 34 14.602 1.096 3.612 1.00 0.41 H new ATOM 0 HB2 LYS A 34 15.388 -1.766 4.314 1.00 0.42 H new ATOM 0 HB3 LYS A 34 15.331 -0.422 5.437 1.00 0.42 H new ATOM 0 HG2 LYS A 34 12.897 -0.216 5.108 1.00 0.44 H new ATOM 0 HG3 LYS A 34 12.930 -1.505 3.921 1.00 0.44 H new ATOM 0 HD2 LYS A 34 13.680 -1.762 6.861 1.00 0.59 H new ATOM 0 HD3 LYS A 34 12.204 -2.348 6.121 1.00 0.59 H new ATOM 0 HE2 LYS A 34 13.469 -3.923 4.726 1.00 0.66 H new ATOM 0 HE3 LYS A 34 14.989 -3.273 5.310 1.00 0.66 H new ATOM 0 HZ1 LYS A 34 14.287 -5.355 6.416 1.00 1.25 H new ATOM 0 HZ2 LYS A 34 14.527 -4.072 7.502 1.00 1.25 H new ATOM 0 HZ3 LYS A 34 12.951 -4.537 7.072 1.00 1.25 H new ATOM 214 N HIS A 35 17.186 -0.458 2.329 1.00 0.40 N ATOM 215 CA HIS A 35 18.618 -0.357 2.032 1.00 0.41 C ATOM 216 C HIS A 35 18.890 0.695 0.962 1.00 0.40 C ATOM 217 O HIS A 35 19.882 0.619 0.237 1.00 0.41 O ATOM 218 CB HIS A 35 19.166 -1.714 1.580 1.00 0.44 C ATOM 219 CG HIS A 35 20.101 -2.342 2.566 1.00 0.61 C ATOM 220 ND1 HIS A 35 21.446 -2.047 2.626 1.00 1.14 N ATOM 221 CD2 HIS A 35 19.877 -3.256 3.538 1.00 1.10 C ATOM 222 CE1 HIS A 35 22.010 -2.753 3.590 1.00 1.14 C ATOM 223 NE2 HIS A 35 21.077 -3.494 4.160 1.00 1.04 N ATOM 0 H HIS A 35 16.710 -1.213 1.836 1.00 0.40 H new ATOM 0 HA HIS A 35 19.126 -0.052 2.947 1.00 0.41 H new ATOM 0 HB2 HIS A 35 18.331 -2.392 1.401 1.00 0.44 H new ATOM 0 HB3 HIS A 35 19.684 -1.589 0.629 1.00 0.44 H new ATOM 0 HD2 HIS A 35 18.929 -3.714 3.780 1.00 1.10 H new ATOM 0 HE1 HIS A 35 23.054 -2.728 3.865 1.00 1.14 H new ATOM 0 HE2 HIS A 35 21.224 -4.139 4.937 1.00 1.04 H new ATOM 231 N VAL A 36 17.995 1.661 0.860 1.00 0.40 N ATOM 232 CA VAL A 36 18.111 2.723 -0.124 1.00 0.42 C ATOM 233 C VAL A 36 17.324 3.942 0.329 1.00 0.41 C ATOM 234 O VAL A 36 17.726 5.079 0.081 1.00 0.54 O ATOM 235 CB VAL A 36 17.583 2.247 -1.485 1.00 0.45 C ATOM 236 CG1 VAL A 36 18.486 1.165 -2.055 1.00 0.62 C ATOM 237 CG2 VAL A 36 16.162 1.729 -1.337 1.00 0.49 C ATOM 0 H VAL A 36 17.169 1.732 1.455 1.00 0.40 H new ATOM 0 HA VAL A 36 19.163 2.990 -0.224 1.00 0.42 H new ATOM 0 HB VAL A 36 17.580 3.090 -2.176 1.00 0.45 H new ATOM 0 HG11 VAL A 36 18.098 0.838 -3.020 1.00 0.62 H new ATOM 0 HG12 VAL A 36 19.493 1.562 -2.184 1.00 0.62 H new ATOM 0 HG13 VAL A 36 18.516 0.318 -1.370 1.00 0.62 H new ATOM 0 HG21 VAL A 36 15.794 1.393 -2.307 1.00 0.49 H new ATOM 0 HG22 VAL A 36 16.150 0.895 -0.636 1.00 0.49 H new ATOM 0 HG23 VAL A 36 15.521 2.527 -0.962 1.00 0.49 H new ATOM 247 N LEU A 37 16.208 3.701 1.013 1.00 0.29 N ATOM 248 CA LEU A 37 15.390 4.785 1.512 1.00 0.27 C ATOM 249 C LEU A 37 15.965 5.324 2.811 1.00 0.33 C ATOM 250 O LEU A 37 16.289 4.580 3.736 1.00 0.43 O ATOM 251 CB LEU A 37 13.938 4.347 1.694 1.00 0.27 C ATOM 252 CG LEU A 37 12.980 4.779 0.574 1.00 0.24 C ATOM 253 CD1 LEU A 37 13.733 5.095 -0.710 1.00 0.25 C ATOM 254 CD2 LEU A 37 11.929 3.710 0.333 1.00 0.31 C ATOM 0 H LEU A 37 15.857 2.768 1.229 1.00 0.29 H new ATOM 0 HA LEU A 37 15.398 5.586 0.772 1.00 0.27 H new ATOM 0 HB2 LEU A 37 13.910 3.260 1.775 1.00 0.27 H new ATOM 0 HB3 LEU A 37 13.570 4.747 2.639 1.00 0.27 H new ATOM 0 HG LEU A 37 12.479 5.692 0.895 1.00 0.24 H new ATOM 0 HD11 LEU A 37 13.025 5.397 -1.482 1.00 0.25 H new ATOM 0 HD12 LEU A 37 14.439 5.905 -0.528 1.00 0.25 H new ATOM 0 HD13 LEU A 37 14.275 4.209 -1.041 1.00 0.25 H new ATOM 0 HD21 LEU A 37 11.258 4.032 -0.464 1.00 0.31 H new ATOM 0 HD22 LEU A 37 12.417 2.779 0.043 1.00 0.31 H new ATOM 0 HD23 LEU A 37 11.357 3.550 1.247 1.00 0.31 H new ATOM 266 N PRO A 38 16.124 6.642 2.854 1.00 0.33 N ATOM 267 CA PRO A 38 16.699 7.366 3.994 1.00 0.43 C ATOM 268 C PRO A 38 16.027 7.046 5.334 1.00 0.48 C ATOM 269 O PRO A 38 16.514 6.198 6.082 1.00 1.04 O ATOM 270 CB PRO A 38 16.511 8.831 3.584 1.00 0.44 C ATOM 271 CG PRO A 38 16.517 8.783 2.096 1.00 0.40 C ATOM 272 CD PRO A 38 15.777 7.542 1.747 1.00 0.29 C ATOM 0 HA PRO A 38 17.737 7.090 4.179 1.00 0.43 H new ATOM 0 HB2 PRO A 38 15.575 9.238 3.968 1.00 0.44 H new ATOM 0 HB3 PRO A 38 17.314 9.461 3.968 1.00 0.44 H new ATOM 0 HG2 PRO A 38 16.034 9.663 1.671 1.00 0.40 H new ATOM 0 HG3 PRO A 38 17.535 8.758 1.706 1.00 0.40 H new ATOM 0 HD2 PRO A 38 14.702 7.714 1.686 1.00 0.29 H new ATOM 0 HD3 PRO A 38 16.091 7.140 0.784 1.00 0.29 H new ATOM 280 N SER A 39 14.922 7.720 5.649 1.00 0.48 N ATOM 281 CA SER A 39 14.226 7.484 6.910 1.00 0.47 C ATOM 282 C SER A 39 12.724 7.664 6.746 1.00 0.40 C ATOM 283 O SER A 39 11.970 6.691 6.711 1.00 0.47 O ATOM 284 CB SER A 39 14.747 8.433 7.991 1.00 0.55 C ATOM 285 OG SER A 39 15.738 7.806 8.787 1.00 1.37 O ATOM 0 H SER A 39 14.493 8.428 5.053 1.00 0.48 H new ATOM 0 HA SER A 39 14.420 6.455 7.213 1.00 0.47 H new ATOM 0 HB2 SER A 39 15.162 9.327 7.525 1.00 0.55 H new ATOM 0 HB3 SER A 39 13.920 8.758 8.623 1.00 0.55 H new ATOM 0 HG SER A 39 16.272 7.202 8.229 1.00 1.37 H new ATOM 291 N HIS A 40 12.293 8.916 6.638 1.00 0.30 N ATOM 292 CA HIS A 40 10.880 9.220 6.470 1.00 0.27 C ATOM 293 C HIS A 40 10.355 8.649 5.156 1.00 0.21 C ATOM 294 O HIS A 40 9.149 8.565 4.952 1.00 0.23 O ATOM 295 CB HIS A 40 10.641 10.725 6.520 1.00 0.29 C ATOM 296 CG HIS A 40 9.193 11.088 6.592 1.00 0.33 C ATOM 297 ND1 HIS A 40 8.231 10.254 7.125 1.00 1.01 N ATOM 298 CD2 HIS A 40 8.540 12.200 6.190 1.00 0.87 C ATOM 299 CE1 HIS A 40 7.049 10.838 7.044 1.00 0.79 C ATOM 300 NE2 HIS A 40 7.209 12.021 6.480 1.00 0.57 N ATOM 0 H HIS A 40 12.902 9.734 6.664 1.00 0.30 H new ATOM 0 HA HIS A 40 10.337 8.754 7.293 1.00 0.27 H new ATOM 0 HB2 HIS A 40 11.157 11.140 7.386 1.00 0.29 H new ATOM 0 HB3 HIS A 40 11.081 11.186 5.636 1.00 0.29 H new ATOM 0 HD2 HIS A 40 8.982 13.069 5.726 1.00 0.87 H new ATOM 0 HE1 HIS A 40 6.112 10.420 7.381 1.00 0.79 H new ATOM 0 HE2 HIS A 40 6.465 12.693 6.290 1.00 0.57 H new ATOM 308 N ALA A 41 11.266 8.240 4.272 1.00 0.17 N ATOM 309 CA ALA A 41 10.875 7.670 2.990 1.00 0.15 C ATOM 310 C ALA A 41 10.234 6.308 3.189 1.00 0.16 C ATOM 311 O ALA A 41 9.357 5.903 2.427 1.00 0.32 O ATOM 312 CB ALA A 41 12.082 7.547 2.075 1.00 0.22 C ATOM 0 H ALA A 41 12.273 8.294 4.422 1.00 0.17 H new ATOM 0 HA ALA A 41 10.148 8.336 2.526 1.00 0.15 H new ATOM 0 HB1 ALA A 41 11.773 7.119 1.121 1.00 0.22 H new ATOM 0 HB2 ALA A 41 12.514 8.534 1.908 1.00 0.22 H new ATOM 0 HB3 ALA A 41 12.826 6.899 2.539 1.00 0.22 H new ATOM 318 N GLN A 42 10.666 5.609 4.230 1.00 0.10 N ATOM 319 CA GLN A 42 10.120 4.298 4.549 1.00 0.10 C ATOM 320 C GLN A 42 8.705 4.454 5.069 1.00 0.13 C ATOM 321 O GLN A 42 7.807 3.695 4.699 1.00 0.16 O ATOM 322 CB GLN A 42 11.018 3.601 5.566 1.00 0.13 C ATOM 323 CG GLN A 42 12.470 3.597 5.130 1.00 0.14 C ATOM 324 CD GLN A 42 13.423 4.011 6.233 1.00 0.16 C ATOM 325 OE1 GLN A 42 13.024 4.186 7.384 1.00 0.19 O ATOM 326 NE2 GLN A 42 14.693 4.174 5.881 1.00 0.23 N ATOM 0 H GLN A 42 11.394 5.929 4.869 1.00 0.10 H new ATOM 0 HA GLN A 42 10.086 3.678 3.653 1.00 0.10 H new ATOM 0 HB2 GLN A 42 10.930 4.101 6.531 1.00 0.13 H new ATOM 0 HB3 GLN A 42 10.679 2.575 5.707 1.00 0.13 H new ATOM 0 HG2 GLN A 42 12.736 2.598 4.784 1.00 0.14 H new ATOM 0 HG3 GLN A 42 12.590 4.271 4.282 1.00 0.14 H new ATOM 0 HE21 GLN A 42 14.978 4.018 4.914 1.00 0.23 H new ATOM 0 HE22 GLN A 42 15.383 4.456 6.577 1.00 0.23 H new ATOM 335 N ASP A 43 8.494 5.481 5.890 1.00 0.16 N ATOM 336 CA ASP A 43 7.166 5.770 6.403 1.00 0.22 C ATOM 337 C ASP A 43 6.292 6.144 5.218 1.00 0.20 C ATOM 338 O ASP A 43 5.189 5.629 5.045 1.00 0.23 O ATOM 339 CB ASP A 43 7.207 6.915 7.418 1.00 0.27 C ATOM 340 CG ASP A 43 5.932 7.014 8.230 1.00 0.32 C ATOM 341 OD1 ASP A 43 5.707 6.140 9.091 1.00 0.61 O ATOM 342 OD2 ASP A 43 5.156 7.966 8.001 1.00 0.59 O ATOM 0 H ASP A 43 9.222 6.120 6.209 1.00 0.16 H new ATOM 0 HA ASP A 43 6.765 4.898 6.919 1.00 0.22 H new ATOM 0 HB2 ASP A 43 8.052 6.770 8.091 1.00 0.27 H new ATOM 0 HB3 ASP A 43 7.374 7.856 6.894 1.00 0.27 H new ATOM 347 N ILE A 44 6.841 7.014 4.376 1.00 0.18 N ATOM 348 CA ILE A 44 6.171 7.441 3.158 1.00 0.16 C ATOM 349 C ILE A 44 5.840 6.216 2.326 1.00 0.14 C ATOM 350 O ILE A 44 4.692 5.985 1.947 1.00 0.16 O ATOM 351 CB ILE A 44 7.079 8.382 2.342 1.00 0.16 C ATOM 352 CG1 ILE A 44 7.257 9.700 3.090 1.00 0.22 C ATOM 353 CG2 ILE A 44 6.497 8.633 0.949 1.00 0.17 C ATOM 354 CD1 ILE A 44 8.069 10.722 2.330 1.00 0.26 C ATOM 0 H ILE A 44 7.757 7.439 4.520 1.00 0.18 H new ATOM 0 HA ILE A 44 5.260 7.978 3.421 1.00 0.16 H new ATOM 0 HB ILE A 44 8.052 7.906 2.217 1.00 0.16 H new ATOM 0 HG12 ILE A 44 6.275 10.119 3.310 1.00 0.22 H new ATOM 0 HG13 ILE A 44 7.741 9.503 4.047 1.00 0.22 H new ATOM 0 HG21 ILE A 44 7.157 9.300 0.394 1.00 0.17 H new ATOM 0 HG22 ILE A 44 6.406 7.686 0.417 1.00 0.17 H new ATOM 0 HG23 ILE A 44 5.513 9.092 1.043 1.00 0.17 H new ATOM 0 HD11 ILE A 44 8.154 11.633 2.923 1.00 0.26 H new ATOM 0 HD12 ILE A 44 9.064 10.323 2.133 1.00 0.26 H new ATOM 0 HD13 ILE A 44 7.576 10.949 1.385 1.00 0.26 H new ATOM 366 N TYR A 45 6.872 5.427 2.071 1.00 0.17 N ATOM 367 CA TYR A 45 6.738 4.197 1.307 1.00 0.15 C ATOM 368 C TYR A 45 5.630 3.327 1.891 1.00 0.14 C ATOM 369 O TYR A 45 4.635 3.047 1.233 1.00 0.19 O ATOM 370 CB TYR A 45 8.057 3.430 1.322 1.00 0.16 C ATOM 371 CG TYR A 45 8.100 2.267 0.358 1.00 0.18 C ATOM 372 CD1 TYR A 45 7.224 1.196 0.485 1.00 0.22 C ATOM 373 CD2 TYR A 45 9.015 2.244 -0.682 1.00 0.23 C ATOM 374 CE1 TYR A 45 7.263 0.136 -0.399 1.00 0.27 C ATOM 375 CE2 TYR A 45 9.060 1.187 -1.570 1.00 0.27 C ATOM 376 CZ TYR A 45 8.182 0.136 -1.426 1.00 0.27 C ATOM 377 OH TYR A 45 8.226 -0.920 -2.309 1.00 0.34 O ATOM 0 H TYR A 45 7.823 5.620 2.387 1.00 0.17 H new ATOM 0 HA TYR A 45 6.480 4.452 0.279 1.00 0.15 H new ATOM 0 HB2 TYR A 45 8.868 4.117 1.083 1.00 0.16 H new ATOM 0 HB3 TYR A 45 8.239 3.060 2.331 1.00 0.16 H new ATOM 0 HD1 TYR A 45 6.501 1.193 1.288 1.00 0.22 H new ATOM 0 HD2 TYR A 45 9.705 3.067 -0.800 1.00 0.23 H new ATOM 0 HE1 TYR A 45 6.576 -0.690 -0.286 1.00 0.27 H new ATOM 0 HE2 TYR A 45 9.781 1.185 -2.374 1.00 0.27 H new ATOM 0 HH TYR A 45 8.550 -0.606 -3.179 1.00 0.34 H new ATOM 387 N LYS A 46 5.819 2.905 3.136 1.00 0.15 N ATOM 388 CA LYS A 46 4.846 2.060 3.821 1.00 0.18 C ATOM 389 C LYS A 46 3.464 2.706 3.855 1.00 0.17 C ATOM 390 O LYS A 46 2.477 2.095 3.448 1.00 0.21 O ATOM 391 CB LYS A 46 5.322 1.779 5.247 1.00 0.20 C ATOM 392 CG LYS A 46 4.304 1.048 6.104 1.00 0.23 C ATOM 393 CD LYS A 46 4.837 0.810 7.507 1.00 0.27 C ATOM 394 CE LYS A 46 3.717 0.740 8.527 1.00 0.35 C ATOM 395 NZ LYS A 46 3.115 2.074 8.795 1.00 1.20 N ATOM 0 H LYS A 46 6.641 3.135 3.694 1.00 0.15 H new ATOM 0 HA LYS A 46 4.763 1.125 3.267 1.00 0.18 H new ATOM 0 HB2 LYS A 46 6.237 1.188 5.204 1.00 0.20 H new ATOM 0 HB3 LYS A 46 5.575 2.724 5.728 1.00 0.20 H new ATOM 0 HG2 LYS A 46 3.383 1.629 6.156 1.00 0.23 H new ATOM 0 HG3 LYS A 46 4.053 0.094 5.641 1.00 0.23 H new ATOM 0 HD2 LYS A 46 5.407 -0.119 7.527 1.00 0.27 H new ATOM 0 HD3 LYS A 46 5.525 1.612 7.776 1.00 0.27 H new ATOM 0 HE2 LYS A 46 2.944 0.060 8.169 1.00 0.35 H new ATOM 0 HE3 LYS A 46 4.102 0.323 9.458 1.00 0.35 H new ATOM 0 HZ1 LYS A 46 2.543 2.029 9.663 1.00 1.20 H new ATOM 0 HZ2 LYS A 46 3.871 2.778 8.915 1.00 1.20 H new ATOM 0 HZ3 LYS A 46 2.509 2.349 7.995 1.00 1.20 H new ATOM 409 N GLU A 47 3.396 3.939 4.345 1.00 0.14 N ATOM 410 CA GLU A 47 2.123 4.646 4.434 1.00 0.14 C ATOM 411 C GLU A 47 1.473 4.763 3.065 1.00 0.13 C ATOM 412 O GLU A 47 0.252 4.669 2.938 1.00 0.20 O ATOM 413 CB GLU A 47 2.312 6.034 5.041 1.00 0.15 C ATOM 414 CG GLU A 47 2.740 6.011 6.499 1.00 0.16 C ATOM 415 CD GLU A 47 1.949 6.986 7.353 1.00 1.17 C ATOM 416 OE1 GLU A 47 1.647 8.093 6.861 1.00 1.67 O ATOM 417 OE2 GLU A 47 1.634 6.641 8.512 1.00 2.04 O ATOM 0 H GLU A 47 4.200 4.467 4.684 1.00 0.14 H new ATOM 0 HA GLU A 47 1.467 4.068 5.085 1.00 0.14 H new ATOM 0 HB2 GLU A 47 3.059 6.576 4.461 1.00 0.15 H new ATOM 0 HB3 GLU A 47 1.378 6.589 4.955 1.00 0.15 H new ATOM 0 HG2 GLU A 47 2.616 5.003 6.895 1.00 0.16 H new ATOM 0 HG3 GLU A 47 3.801 6.252 6.567 1.00 0.16 H new ATOM 424 N ALA A 48 2.294 4.945 2.039 1.00 0.12 N ATOM 425 CA ALA A 48 1.788 5.047 0.680 1.00 0.13 C ATOM 426 C ALA A 48 1.379 3.669 0.189 1.00 0.13 C ATOM 427 O ALA A 48 0.349 3.508 -0.466 1.00 0.21 O ATOM 428 CB ALA A 48 2.825 5.680 -0.233 1.00 0.17 C ATOM 0 H ALA A 48 3.307 5.024 2.123 1.00 0.12 H new ATOM 0 HA ALA A 48 0.911 5.694 0.668 1.00 0.13 H new ATOM 0 HB1 ALA A 48 2.426 5.747 -1.245 1.00 0.17 H new ATOM 0 HB2 ALA A 48 3.067 6.679 0.129 1.00 0.17 H new ATOM 0 HB3 ALA A 48 3.727 5.068 -0.238 1.00 0.17 H new ATOM 434 N PHE A 49 2.188 2.673 0.531 1.00 0.11 N ATOM 435 CA PHE A 49 1.907 1.298 0.149 1.00 0.11 C ATOM 436 C PHE A 49 0.594 0.842 0.774 1.00 0.12 C ATOM 437 O PHE A 49 -0.294 0.342 0.083 1.00 0.17 O ATOM 438 CB PHE A 49 3.045 0.375 0.590 1.00 0.13 C ATOM 439 CG PHE A 49 2.795 -1.069 0.274 1.00 0.17 C ATOM 440 CD1 PHE A 49 1.849 -1.802 0.977 1.00 0.24 C ATOM 441 CD2 PHE A 49 3.489 -1.691 -0.749 1.00 0.21 C ATOM 442 CE1 PHE A 49 1.602 -3.125 0.660 1.00 0.31 C ATOM 443 CE2 PHE A 49 3.249 -3.012 -1.066 1.00 0.26 C ATOM 444 CZ PHE A 49 2.305 -3.730 -0.363 1.00 0.30 C ATOM 0 H PHE A 49 3.044 2.794 1.072 1.00 0.11 H new ATOM 0 HA PHE A 49 1.822 1.249 -0.937 1.00 0.11 H new ATOM 0 HB2 PHE A 49 3.968 0.691 0.105 1.00 0.13 H new ATOM 0 HB3 PHE A 49 3.196 0.484 1.664 1.00 0.13 H new ATOM 0 HD1 PHE A 49 1.300 -1.334 1.780 1.00 0.24 H new ATOM 0 HD2 PHE A 49 4.228 -1.135 -1.307 1.00 0.21 H new ATOM 0 HE1 PHE A 49 0.861 -3.684 1.211 1.00 0.31 H new ATOM 0 HE2 PHE A 49 3.801 -3.484 -1.865 1.00 0.26 H new ATOM 0 HZ PHE A 49 2.116 -4.764 -0.612 1.00 0.30 H new ATOM 454 N ASN A 50 0.477 1.013 2.091 1.00 0.16 N ATOM 455 CA ASN A 50 -0.728 0.617 2.815 1.00 0.21 C ATOM 456 C ASN A 50 -1.975 1.202 2.161 1.00 0.22 C ATOM 457 O ASN A 50 -2.967 0.500 1.960 1.00 0.28 O ATOM 458 CB ASN A 50 -0.641 1.070 4.273 1.00 0.27 C ATOM 459 CG ASN A 50 -0.112 -0.015 5.189 1.00 0.31 C ATOM 460 OD1 ASN A 50 -0.757 -0.384 6.171 1.00 0.89 O ATOM 461 ND2 ASN A 50 1.068 -0.535 4.870 1.00 0.61 N ATOM 0 H ASN A 50 1.204 1.424 2.677 1.00 0.16 H new ATOM 0 HA ASN A 50 -0.801 -0.470 2.782 1.00 0.21 H new ATOM 0 HB2 ASN A 50 0.006 1.945 4.340 1.00 0.27 H new ATOM 0 HB3 ASN A 50 -1.630 1.378 4.614 1.00 0.27 H new ATOM 0 HD21 ASN A 50 1.474 -1.271 5.448 1.00 0.61 H new ATOM 0 HD22 ASN A 50 1.568 -0.199 4.047 1.00 0.61 H new ATOM 468 N SER A 51 -1.920 2.489 1.826 1.00 0.23 N ATOM 469 CA SER A 51 -3.050 3.158 1.189 1.00 0.27 C ATOM 470 C SER A 51 -3.448 2.426 -0.086 1.00 0.25 C ATOM 471 O SER A 51 -4.628 2.167 -0.322 1.00 0.29 O ATOM 472 CB SER A 51 -2.703 4.613 0.866 1.00 0.32 C ATOM 473 OG SER A 51 -3.874 5.403 0.748 1.00 0.45 O ATOM 0 H SER A 51 -1.109 3.087 1.984 1.00 0.23 H new ATOM 0 HA SER A 51 -3.890 3.145 1.884 1.00 0.27 H new ATOM 0 HB2 SER A 51 -2.063 5.020 1.649 1.00 0.32 H new ATOM 0 HB3 SER A 51 -2.136 4.657 -0.064 1.00 0.32 H new ATOM 0 HG SER A 51 -3.625 6.328 0.543 1.00 0.45 H new ATOM 479 N ALA A 52 -2.454 2.074 -0.895 1.00 0.23 N ATOM 480 CA ALA A 52 -2.708 1.349 -2.130 1.00 0.23 C ATOM 481 C ALA A 52 -3.187 -0.060 -1.815 1.00 0.24 C ATOM 482 O ALA A 52 -3.987 -0.639 -2.550 1.00 0.31 O ATOM 483 CB ALA A 52 -1.458 1.307 -2.995 1.00 0.21 C ATOM 0 H ALA A 52 -1.471 2.279 -0.717 1.00 0.23 H new ATOM 0 HA ALA A 52 -3.487 1.869 -2.687 1.00 0.23 H new ATOM 0 HB1 ALA A 52 -1.670 0.760 -3.914 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.151 2.324 -3.240 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.656 0.807 -2.452 1.00 0.21 H new ATOM 489 N TRP A 53 -2.704 -0.595 -0.697 1.00 0.21 N ATOM 490 CA TRP A 53 -3.090 -1.925 -0.252 1.00 0.25 C ATOM 491 C TRP A 53 -4.569 -1.926 0.126 1.00 0.30 C ATOM 492 O TRP A 53 -5.347 -2.738 -0.371 1.00 0.34 O ATOM 493 CB TRP A 53 -2.202 -2.351 0.930 1.00 0.27 C ATOM 494 CG TRP A 53 -2.748 -3.481 1.755 1.00 0.36 C ATOM 495 CD1 TRP A 53 -2.456 -4.808 1.619 1.00 0.46 C ATOM 496 CD2 TRP A 53 -3.666 -3.383 2.850 1.00 0.44 C ATOM 497 NE1 TRP A 53 -3.141 -5.541 2.556 1.00 0.55 N ATOM 498 CE2 TRP A 53 -3.891 -4.691 3.324 1.00 0.53 C ATOM 499 CE3 TRP A 53 -4.320 -2.321 3.475 1.00 0.51 C ATOM 500 CZ2 TRP A 53 -4.743 -4.960 4.392 1.00 0.63 C ATOM 501 CZ3 TRP A 53 -5.166 -2.589 4.537 1.00 0.63 C ATOM 502 CH2 TRP A 53 -5.370 -3.900 4.986 1.00 0.67 C ATOM 0 H TRP A 53 -2.041 -0.123 -0.082 1.00 0.21 H new ATOM 0 HA TRP A 53 -2.947 -2.646 -1.056 1.00 0.25 H new ATOM 0 HB2 TRP A 53 -1.224 -2.641 0.545 1.00 0.27 H new ATOM 0 HB3 TRP A 53 -2.047 -1.489 1.578 1.00 0.27 H new ATOM 0 HD1 TRP A 53 -1.784 -5.221 0.881 1.00 0.46 H new ATOM 0 HE1 TRP A 53 -3.098 -6.554 2.663 1.00 0.55 H new ATOM 0 HE3 TRP A 53 -4.169 -1.307 3.136 1.00 0.51 H new ATOM 0 HZ2 TRP A 53 -4.903 -5.970 4.739 1.00 0.63 H new ATOM 0 HZ3 TRP A 53 -5.677 -1.774 5.028 1.00 0.63 H new ATOM 0 HH2 TRP A 53 -6.036 -4.077 5.818 1.00 0.67 H new ATOM 513 N ASP A 54 -4.955 -0.993 0.998 1.00 0.33 N ATOM 514 CA ASP A 54 -6.346 -0.873 1.426 1.00 0.40 C ATOM 515 C ASP A 54 -7.213 -0.372 0.276 1.00 0.40 C ATOM 516 O ASP A 54 -8.390 -0.717 0.179 1.00 0.48 O ATOM 517 CB ASP A 54 -6.459 0.085 2.613 1.00 0.43 C ATOM 518 CG ASP A 54 -7.729 -0.136 3.412 1.00 0.49 C ATOM 519 OD1 ASP A 54 -8.791 0.364 2.990 1.00 0.86 O ATOM 520 OD2 ASP A 54 -7.659 -0.811 4.461 1.00 1.17 O ATOM 0 H ASP A 54 -4.324 -0.312 1.420 1.00 0.33 H new ATOM 0 HA ASP A 54 -6.696 -1.859 1.732 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -5.595 -0.044 3.265 1.00 0.43 H new ATOM 0 HB3 ASP A 54 -6.434 1.113 2.251 1.00 0.43 H new ATOM 525 N GLN A 55 -6.618 0.436 -0.594 1.00 0.38 N ATOM 526 CA GLN A 55 -7.340 0.976 -1.738 1.00 0.45 C ATOM 527 C GLN A 55 -7.668 -0.139 -2.718 1.00 0.49 C ATOM 528 O GLN A 55 -8.632 -0.056 -3.478 1.00 0.59 O ATOM 529 CB GLN A 55 -6.524 2.068 -2.432 1.00 0.49 C ATOM 530 CG GLN A 55 -6.743 3.452 -1.843 1.00 0.52 C ATOM 531 CD GLN A 55 -6.820 4.532 -2.905 1.00 0.59 C ATOM 532 OE1 GLN A 55 -7.791 4.611 -3.657 1.00 0.68 O ATOM 533 NE2 GLN A 55 -5.792 5.372 -2.971 1.00 0.59 N ATOM 0 H GLN A 55 -5.643 0.730 -0.529 1.00 0.38 H new ATOM 0 HA GLN A 55 -8.268 1.422 -1.381 1.00 0.45 H new ATOM 0 HB2 GLN A 55 -5.465 1.817 -2.367 1.00 0.49 H new ATOM 0 HB3 GLN A 55 -6.782 2.087 -3.491 1.00 0.49 H new ATOM 0 HG2 GLN A 55 -7.665 3.454 -1.261 1.00 0.52 H new ATOM 0 HG3 GLN A 55 -5.930 3.682 -1.154 1.00 0.52 H new ATOM 0 HE21 GLN A 55 -5.007 5.269 -2.327 1.00 0.59 H new ATOM 0 HE22 GLN A 55 -5.788 6.119 -3.665 1.00 0.59 H new ATOM 542 N TYR A 56 -6.858 -1.183 -2.680 1.00 0.44 N ATOM 543 CA TYR A 56 -7.040 -2.341 -3.545 1.00 0.52 C ATOM 544 C TYR A 56 -8.277 -3.140 -3.128 1.00 0.68 C ATOM 545 O TYR A 56 -8.195 -4.336 -2.860 1.00 0.79 O ATOM 546 CB TYR A 56 -5.796 -3.227 -3.487 1.00 0.49 C ATOM 547 CG TYR A 56 -5.294 -3.660 -4.838 1.00 0.35 C ATOM 548 CD1 TYR A 56 -4.569 -2.790 -5.636 1.00 0.29 C ATOM 549 CD2 TYR A 56 -5.542 -4.939 -5.314 1.00 0.38 C ATOM 550 CE1 TYR A 56 -4.099 -3.183 -6.872 1.00 0.26 C ATOM 551 CE2 TYR A 56 -5.078 -5.341 -6.547 1.00 0.34 C ATOM 552 CZ TYR A 56 -4.355 -4.460 -7.325 1.00 0.26 C ATOM 553 OH TYR A 56 -3.886 -4.854 -8.560 1.00 0.35 O ATOM 0 H TYR A 56 -6.058 -1.254 -2.052 1.00 0.44 H new ATOM 0 HA TYR A 56 -7.188 -1.994 -4.568 1.00 0.52 H new ATOM 0 HB2 TYR A 56 -5.002 -2.688 -2.970 1.00 0.49 H new ATOM 0 HB3 TYR A 56 -6.020 -4.113 -2.892 1.00 0.49 H new ATOM 0 HD1 TYR A 56 -4.369 -1.788 -5.285 1.00 0.29 H new ATOM 0 HD2 TYR A 56 -6.108 -5.631 -4.708 1.00 0.38 H new ATOM 0 HE1 TYR A 56 -3.533 -2.494 -7.482 1.00 0.26 H new ATOM 0 HE2 TYR A 56 -5.279 -6.341 -6.903 1.00 0.34 H new ATOM 0 HH TYR A 56 -3.841 -4.077 -9.156 1.00 0.35 H new ATOM 563 N LYS A 57 -9.422 -2.470 -3.082 1.00 0.76 N ATOM 564 CA LYS A 57 -10.672 -3.119 -2.704 1.00 0.95 C ATOM 565 C LYS A 57 -11.349 -3.744 -3.919 1.00 1.08 C ATOM 566 O LYS A 57 -12.441 -4.302 -3.817 1.00 1.26 O ATOM 567 CB LYS A 57 -11.609 -2.109 -2.042 1.00 1.01 C ATOM 568 CG LYS A 57 -11.786 -2.334 -0.549 1.00 0.94 C ATOM 569 CD LYS A 57 -12.735 -3.490 -0.266 1.00 1.21 C ATOM 570 CE LYS A 57 -11.977 -4.752 0.115 1.00 2.33 C ATOM 571 NZ LYS A 57 -12.651 -5.496 1.213 1.00 3.35 N ATOM 0 H LYS A 57 -9.511 -1.478 -3.302 1.00 0.76 H new ATOM 0 HA LYS A 57 -10.444 -3.913 -1.993 1.00 0.95 H new ATOM 0 HB2 LYS A 57 -11.221 -1.104 -2.206 1.00 1.01 H new ATOM 0 HB3 LYS A 57 -12.584 -2.158 -2.527 1.00 1.01 H new ATOM 0 HG2 LYS A 57 -10.817 -2.538 -0.094 1.00 0.94 H new ATOM 0 HG3 LYS A 57 -12.171 -1.425 -0.086 1.00 0.94 H new ATOM 0 HD2 LYS A 57 -13.415 -3.215 0.540 1.00 1.21 H new ATOM 0 HD3 LYS A 57 -13.347 -3.684 -1.147 1.00 1.21 H new ATOM 0 HE2 LYS A 57 -11.886 -5.398 -0.758 1.00 2.33 H new ATOM 0 HE3 LYS A 57 -10.965 -4.488 0.423 1.00 2.33 H new ATOM 0 HZ1 LYS A 57 -12.102 -6.349 1.442 1.00 3.35 H new ATOM 0 HZ2 LYS A 57 -12.715 -4.889 2.055 1.00 3.35 H new ATOM 0 HZ3 LYS A 57 -13.607 -5.771 0.910 1.00 3.35 H new ATOM 718 N ALA A 66 -1.096 -11.031 -5.019 1.00 0.47 N ATOM 719 CA ALA A 66 0.245 -10.499 -5.232 1.00 0.50 C ATOM 720 C ALA A 66 0.172 -9.188 -5.996 1.00 0.44 C ATOM 721 O ALA A 66 0.926 -8.255 -5.725 1.00 0.45 O ATOM 722 CB ALA A 66 1.115 -11.488 -5.979 1.00 0.63 C ATOM 0 HA ALA A 66 0.696 -10.321 -4.256 1.00 0.50 H new ATOM 0 HB1 ALA A 66 2.108 -11.063 -6.123 1.00 0.63 H new ATOM 0 HB2 ALA A 66 1.195 -12.410 -5.403 1.00 0.63 H new ATOM 0 HB3 ALA A 66 0.669 -11.704 -6.950 1.00 0.63 H new ATOM 728 N SER A 67 -0.760 -9.120 -6.943 1.00 0.41 N ATOM 729 CA SER A 67 -0.954 -7.913 -7.734 1.00 0.40 C ATOM 730 C SER A 67 -1.178 -6.741 -6.807 1.00 0.32 C ATOM 731 O SER A 67 -0.591 -5.673 -6.970 1.00 0.36 O ATOM 732 CB SER A 67 -2.149 -8.077 -8.667 1.00 0.39 C ATOM 733 OG SER A 67 -2.213 -7.021 -9.612 1.00 0.44 O ATOM 0 H SER A 67 -1.391 -9.886 -7.179 1.00 0.41 H new ATOM 0 HA SER A 67 -0.066 -7.734 -8.340 1.00 0.40 H new ATOM 0 HB2 SER A 67 -2.077 -9.031 -9.189 1.00 0.39 H new ATOM 0 HB3 SER A 67 -3.069 -8.101 -8.083 1.00 0.39 H new ATOM 0 HG SER A 67 -2.760 -6.292 -9.252 1.00 0.44 H new ATOM 739 N ARG A 68 -2.018 -6.966 -5.808 1.00 0.28 N ATOM 740 CA ARG A 68 -2.308 -5.947 -4.815 1.00 0.24 C ATOM 741 C ARG A 68 -1.000 -5.465 -4.204 1.00 0.22 C ATOM 742 O ARG A 68 -0.614 -4.309 -4.368 1.00 0.29 O ATOM 743 CB ARG A 68 -3.230 -6.505 -3.731 1.00 0.25 C ATOM 744 CG ARG A 68 -3.566 -5.498 -2.647 1.00 0.40 C ATOM 745 CD ARG A 68 -2.590 -5.574 -1.483 1.00 0.67 C ATOM 746 NE ARG A 68 -2.990 -6.590 -0.507 1.00 1.77 N ATOM 747 CZ ARG A 68 -2.181 -7.540 -0.040 1.00 2.72 C ATOM 748 NH1 ARG A 68 -0.920 -7.609 -0.446 1.00 3.09 N ATOM 749 NH2 ARG A 68 -2.630 -8.422 0.842 1.00 3.77 N ATOM 0 H ARG A 68 -2.511 -7.847 -5.665 1.00 0.28 H new ATOM 0 HA ARG A 68 -2.817 -5.109 -5.292 1.00 0.24 H new ATOM 0 HB2 ARG A 68 -4.154 -6.851 -4.194 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -2.757 -7.374 -3.275 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -3.552 -4.493 -3.068 1.00 0.40 H new ATOM 0 HG3 ARG A 68 -4.578 -5.678 -2.285 1.00 0.40 H new ATOM 0 HD2 ARG A 68 -1.593 -5.803 -1.859 1.00 0.67 H new ATOM 0 HD3 ARG A 68 -2.531 -4.602 -0.993 1.00 0.67 H new ATOM 0 HE ARG A 68 -3.950 -6.569 -0.163 1.00 1.77 H new ATOM 0 HH11 ARG A 68 -0.564 -6.932 -1.120 1.00 3.09 H new ATOM 0 HH12 ARG A 68 -0.307 -8.339 -0.084 1.00 3.09 H new ATOM 0 HH21 ARG A 68 -3.597 -8.374 1.164 1.00 3.77 H new ATOM 0 HH22 ARG A 68 -2.009 -9.148 1.198 1.00 3.77 H new ATOM 763 N GLU A 69 -0.309 -6.376 -3.520 1.00 0.22 N ATOM 764 CA GLU A 69 0.971 -6.062 -2.910 1.00 0.21 C ATOM 765 C GLU A 69 1.853 -5.352 -3.928 1.00 0.19 C ATOM 766 O GLU A 69 2.373 -4.266 -3.668 1.00 0.22 O ATOM 767 CB GLU A 69 1.645 -7.347 -2.418 1.00 0.27 C ATOM 768 CG GLU A 69 2.964 -7.112 -1.711 1.00 0.28 C ATOM 769 CD GLU A 69 3.322 -8.237 -0.755 1.00 0.36 C ATOM 770 OE1 GLU A 69 2.985 -9.402 -1.058 1.00 0.79 O ATOM 771 OE2 GLU A 69 3.937 -7.952 0.292 1.00 0.43 O ATOM 0 H GLU A 69 -0.619 -7.337 -3.377 1.00 0.22 H new ATOM 0 HA GLU A 69 0.817 -5.405 -2.054 1.00 0.21 H new ATOM 0 HB2 GLU A 69 0.967 -7.865 -1.740 1.00 0.27 H new ATOM 0 HB3 GLU A 69 1.812 -8.008 -3.269 1.00 0.27 H new ATOM 0 HG2 GLU A 69 3.756 -7.004 -2.453 1.00 0.28 H new ATOM 0 HG3 GLU A 69 2.914 -6.173 -1.159 1.00 0.28 H new ATOM 778 N GLU A 70 1.984 -5.967 -5.103 1.00 0.27 N ATOM 779 CA GLU A 70 2.773 -5.399 -6.190 1.00 0.29 C ATOM 780 C GLU A 70 2.380 -3.943 -6.426 1.00 0.27 C ATOM 781 O GLU A 70 3.210 -3.041 -6.325 1.00 0.28 O ATOM 782 CB GLU A 70 2.565 -6.213 -7.470 1.00 0.35 C ATOM 783 CG GLU A 70 3.658 -6.010 -8.507 1.00 0.42 C ATOM 784 CD GLU A 70 4.859 -6.906 -8.274 1.00 0.64 C ATOM 785 OE1 GLU A 70 4.659 -8.104 -7.986 1.00 1.27 O ATOM 786 OE2 GLU A 70 6.000 -6.408 -8.382 1.00 1.11 O ATOM 0 H GLU A 70 1.550 -6.863 -5.325 1.00 0.27 H new ATOM 0 HA GLU A 70 3.827 -5.436 -5.913 1.00 0.29 H new ATOM 0 HB2 GLU A 70 2.512 -7.271 -7.213 1.00 0.35 H new ATOM 0 HB3 GLU A 70 1.605 -5.944 -7.910 1.00 0.35 H new ATOM 0 HG2 GLU A 70 3.252 -6.204 -9.500 1.00 0.42 H new ATOM 0 HG3 GLU A 70 3.979 -4.968 -8.492 1.00 0.42 H new ATOM 793 N THR A 71 1.108 -3.720 -6.741 1.00 0.27 N ATOM 794 CA THR A 71 0.615 -2.368 -6.984 1.00 0.27 C ATOM 795 C THR A 71 1.002 -1.443 -5.842 1.00 0.23 C ATOM 796 O THR A 71 1.569 -0.373 -6.060 1.00 0.28 O ATOM 797 CB THR A 71 -0.903 -2.358 -7.149 1.00 0.28 C ATOM 798 OG1 THR A 71 -1.291 -3.079 -8.306 1.00 0.35 O ATOM 799 CG2 THR A 71 -1.467 -0.956 -7.263 1.00 0.31 C ATOM 0 H THR A 71 0.404 -4.452 -6.834 1.00 0.27 H new ATOM 0 HA THR A 71 1.073 -2.013 -7.907 1.00 0.27 H new ATOM 0 HB THR A 71 -1.302 -2.828 -6.250 1.00 0.28 H new ATOM 0 HG1 THR A 71 -2.128 -3.557 -8.128 1.00 0.35 H new ATOM 0 HG21 THR A 71 -2.550 -1.008 -7.378 1.00 0.31 H new ATOM 0 HG22 THR A 71 -1.225 -0.392 -6.362 1.00 0.31 H new ATOM 0 HG23 THR A 71 -1.033 -0.459 -8.130 1.00 0.31 H new ATOM 807 N ALA A 72 0.702 -1.864 -4.619 1.00 0.16 N ATOM 808 CA ALA A 72 1.038 -1.068 -3.454 1.00 0.15 C ATOM 809 C ALA A 72 2.510 -0.674 -3.515 1.00 0.17 C ATOM 810 O ALA A 72 2.862 0.489 -3.315 1.00 0.23 O ATOM 811 CB ALA A 72 0.709 -1.829 -2.183 1.00 0.16 C ATOM 0 H ALA A 72 0.231 -2.745 -4.413 1.00 0.16 H new ATOM 0 HA ALA A 72 0.442 -0.155 -3.447 1.00 0.15 H new ATOM 0 HB1 ALA A 72 0.966 -1.219 -1.317 1.00 0.16 H new ATOM 0 HB2 ALA A 72 -0.356 -2.058 -2.162 1.00 0.16 H new ATOM 0 HB3 ALA A 72 1.280 -2.757 -2.156 1.00 0.16 H new ATOM 817 N HIS A 73 3.363 -1.646 -3.849 1.00 0.17 N ATOM 818 CA HIS A 73 4.791 -1.380 -3.996 1.00 0.23 C ATOM 819 C HIS A 73 4.962 -0.244 -5.002 1.00 0.25 C ATOM 820 O HIS A 73 5.673 0.730 -4.752 1.00 0.32 O ATOM 821 CB HIS A 73 5.551 -2.621 -4.492 1.00 0.27 C ATOM 822 CG HIS A 73 5.817 -3.660 -3.441 1.00 0.28 C ATOM 823 ND1 HIS A 73 6.921 -3.624 -2.617 1.00 0.33 N ATOM 824 CD2 HIS A 73 5.136 -4.783 -3.097 1.00 0.28 C ATOM 825 CE1 HIS A 73 6.912 -4.673 -1.815 1.00 0.35 C ATOM 826 NE2 HIS A 73 5.839 -5.392 -2.086 1.00 0.31 N ATOM 0 H HIS A 73 3.091 -2.614 -4.021 1.00 0.17 H new ATOM 0 HA HIS A 73 5.202 -1.109 -3.023 1.00 0.23 H new ATOM 0 HB2 HIS A 73 4.981 -3.080 -5.300 1.00 0.27 H new ATOM 0 HB3 HIS A 73 6.503 -2.301 -4.915 1.00 0.27 H new ATOM 0 HD1 HIS A 73 7.637 -2.897 -2.625 1.00 0.33 H new ATOM 0 HD2 HIS A 73 4.213 -5.132 -3.536 1.00 0.28 H new ATOM 0 HE1 HIS A 73 7.655 -4.903 -1.066 1.00 0.35 H new ATOM 834 N LYS A 74 4.284 -0.388 -6.140 1.00 0.23 N ATOM 835 CA LYS A 74 4.323 0.609 -7.205 1.00 0.28 C ATOM 836 C LYS A 74 3.865 1.969 -6.698 1.00 0.31 C ATOM 837 O LYS A 74 4.469 2.996 -7.007 1.00 0.54 O ATOM 838 CB LYS A 74 3.433 0.169 -8.375 1.00 0.37 C ATOM 839 CG LYS A 74 4.029 -0.954 -9.207 1.00 0.58 C ATOM 840 CD LYS A 74 3.038 -2.078 -9.447 1.00 0.64 C ATOM 841 CE LYS A 74 2.151 -1.789 -10.649 1.00 1.29 C ATOM 842 NZ LYS A 74 0.868 -1.136 -10.266 1.00 1.78 N ATOM 0 H LYS A 74 3.696 -1.195 -6.348 1.00 0.23 H new ATOM 0 HA LYS A 74 5.355 0.696 -7.546 1.00 0.28 H new ATOM 0 HB2 LYS A 74 2.468 -0.153 -7.985 1.00 0.37 H new ATOM 0 HB3 LYS A 74 3.246 1.027 -9.020 1.00 0.37 H new ATOM 0 HG2 LYS A 74 4.363 -0.556 -10.165 1.00 0.58 H new ATOM 0 HG3 LYS A 74 4.910 -1.350 -8.702 1.00 0.58 H new ATOM 0 HD2 LYS A 74 3.577 -3.012 -9.607 1.00 0.64 H new ATOM 0 HD3 LYS A 74 2.419 -2.215 -8.560 1.00 0.64 H new ATOM 0 HE2 LYS A 74 2.688 -1.147 -11.347 1.00 1.29 H new ATOM 0 HE3 LYS A 74 1.939 -2.721 -11.173 1.00 1.29 H new ATOM 0 HZ1 LYS A 74 0.434 -0.704 -11.106 1.00 1.78 H new ATOM 0 HZ2 LYS A 74 0.221 -1.847 -9.870 1.00 1.78 H new ATOM 0 HZ3 LYS A 74 1.052 -0.400 -9.554 1.00 1.78 H new ATOM 856 N VAL A 75 2.794 1.965 -5.918 1.00 0.21 N ATOM 857 CA VAL A 75 2.250 3.194 -5.363 1.00 0.21 C ATOM 858 C VAL A 75 3.207 3.803 -4.354 1.00 0.21 C ATOM 859 O VAL A 75 3.633 4.948 -4.495 1.00 0.29 O ATOM 860 CB VAL A 75 0.895 2.942 -4.692 1.00 0.20 C ATOM 861 CG1 VAL A 75 0.306 4.240 -4.154 1.00 0.24 C ATOM 862 CG2 VAL A 75 -0.041 2.281 -5.690 1.00 0.21 C ATOM 0 H VAL A 75 2.284 1.122 -5.655 1.00 0.21 H new ATOM 0 HA VAL A 75 2.112 3.891 -6.189 1.00 0.21 H new ATOM 0 HB VAL A 75 1.031 2.275 -3.841 1.00 0.20 H new ATOM 0 HG11 VAL A 75 -0.655 4.035 -3.683 1.00 0.24 H new ATOM 0 HG12 VAL A 75 0.986 4.671 -3.419 1.00 0.24 H new ATOM 0 HG13 VAL A 75 0.165 4.943 -4.975 1.00 0.24 H new ATOM 0 HG21 VAL A 75 -1.007 2.099 -5.218 1.00 0.21 H new ATOM 0 HG22 VAL A 75 -0.175 2.935 -6.551 1.00 0.21 H new ATOM 0 HG23 VAL A 75 0.387 1.333 -6.018 1.00 0.21 H new ATOM 872 N ALA A 76 3.539 3.033 -3.327 1.00 0.14 N ATOM 873 CA ALA A 76 4.443 3.499 -2.288 1.00 0.16 C ATOM 874 C ALA A 76 5.674 4.160 -2.892 1.00 0.19 C ATOM 875 O ALA A 76 6.057 5.258 -2.493 1.00 0.24 O ATOM 876 CB ALA A 76 4.835 2.354 -1.377 1.00 0.16 C ATOM 0 H ALA A 76 3.195 2.082 -3.192 1.00 0.14 H new ATOM 0 HA ALA A 76 3.922 4.249 -1.692 1.00 0.16 H new ATOM 0 HB1 ALA A 76 5.512 2.719 -0.605 1.00 0.16 H new ATOM 0 HB2 ALA A 76 3.942 1.938 -0.910 1.00 0.16 H new ATOM 0 HB3 ALA A 76 5.334 1.580 -1.960 1.00 0.16 H new ATOM 882 N TRP A 77 6.277 3.496 -3.870 1.00 0.18 N ATOM 883 CA TRP A 77 7.450 4.045 -4.534 1.00 0.23 C ATOM 884 C TRP A 77 7.117 5.406 -5.126 1.00 0.26 C ATOM 885 O TRP A 77 7.881 6.356 -4.981 1.00 0.30 O ATOM 886 CB TRP A 77 7.956 3.107 -5.622 1.00 0.26 C ATOM 887 CG TRP A 77 9.061 2.215 -5.154 1.00 0.25 C ATOM 888 CD1 TRP A 77 9.019 0.862 -5.056 1.00 0.32 C ATOM 889 CD2 TRP A 77 10.365 2.613 -4.709 1.00 0.29 C ATOM 890 NE1 TRP A 77 10.216 0.379 -4.593 1.00 0.32 N ATOM 891 CE2 TRP A 77 11.062 1.438 -4.369 1.00 0.30 C ATOM 892 CE3 TRP A 77 11.009 3.845 -4.571 1.00 0.43 C ATOM 893 CZ2 TRP A 77 12.373 1.461 -3.899 1.00 0.38 C ATOM 894 CZ3 TRP A 77 12.310 3.866 -4.103 1.00 0.54 C ATOM 895 CH2 TRP A 77 12.979 2.682 -3.773 1.00 0.50 C ATOM 0 H TRP A 77 5.976 2.585 -4.218 1.00 0.18 H new ATOM 0 HA TRP A 77 8.242 4.157 -3.794 1.00 0.23 H new ATOM 0 HB2 TRP A 77 7.129 2.495 -5.980 1.00 0.26 H new ATOM 0 HB3 TRP A 77 8.306 3.697 -6.469 1.00 0.26 H new ATOM 0 HD1 TRP A 77 8.164 0.252 -5.307 1.00 0.32 H new ATOM 0 HE1 TRP A 77 10.441 -0.604 -4.440 1.00 0.32 H new ATOM 0 HE3 TRP A 77 10.501 4.763 -4.825 1.00 0.43 H new ATOM 0 HZ2 TRP A 77 12.892 0.549 -3.643 1.00 0.38 H new ATOM 0 HZ3 TRP A 77 12.818 4.812 -3.990 1.00 0.54 H new ATOM 0 HH2 TRP A 77 13.995 2.733 -3.411 1.00 0.50 H new ATOM 906 N ALA A 78 5.961 5.500 -5.784 1.00 0.24 N ATOM 907 CA ALA A 78 5.525 6.759 -6.379 1.00 0.27 C ATOM 908 C ALA A 78 5.623 7.881 -5.351 1.00 0.29 C ATOM 909 O ALA A 78 6.117 8.969 -5.645 1.00 0.39 O ATOM 910 CB ALA A 78 4.107 6.638 -6.920 1.00 0.27 C ATOM 0 H ALA A 78 5.314 4.723 -5.917 1.00 0.24 H new ATOM 0 HA ALA A 78 6.180 6.997 -7.217 1.00 0.27 H new ATOM 0 HB1 ALA A 78 3.803 7.588 -7.359 1.00 0.27 H new ATOM 0 HB2 ALA A 78 4.073 5.859 -7.682 1.00 0.27 H new ATOM 0 HB3 ALA A 78 3.428 6.380 -6.107 1.00 0.27 H new ATOM 916 N ALA A 79 5.180 7.589 -4.131 1.00 0.24 N ATOM 917 CA ALA A 79 5.248 8.546 -3.041 1.00 0.24 C ATOM 918 C ALA A 79 6.704 8.808 -2.707 1.00 0.25 C ATOM 919 O ALA A 79 7.123 9.952 -2.523 1.00 0.32 O ATOM 920 CB ALA A 79 4.495 8.013 -1.832 1.00 0.23 C ATOM 0 H ALA A 79 4.769 6.691 -3.876 1.00 0.24 H new ATOM 0 HA ALA A 79 4.779 9.484 -3.338 1.00 0.24 H new ATOM 0 HB1 ALA A 79 4.552 8.738 -1.020 1.00 0.23 H new ATOM 0 HB2 ALA A 79 3.451 7.847 -2.098 1.00 0.23 H new ATOM 0 HB3 ALA A 79 4.942 7.072 -1.511 1.00 0.23 H new ATOM 926 N VAL A 80 7.477 7.727 -2.646 1.00 0.21 N ATOM 927 CA VAL A 80 8.887 7.812 -2.355 1.00 0.22 C ATOM 928 C VAL A 80 9.602 8.656 -3.409 1.00 0.26 C ATOM 929 O VAL A 80 10.341 9.575 -3.075 1.00 0.31 O ATOM 930 CB VAL A 80 9.513 6.406 -2.269 1.00 0.19 C ATOM 931 CG1 VAL A 80 11.018 6.497 -2.095 1.00 0.19 C ATOM 932 CG2 VAL A 80 8.886 5.638 -1.118 1.00 0.20 C ATOM 0 H VAL A 80 7.137 6.777 -2.797 1.00 0.21 H new ATOM 0 HA VAL A 80 9.007 8.297 -1.386 1.00 0.22 H new ATOM 0 HB VAL A 80 9.316 5.874 -3.200 1.00 0.19 H new ATOM 0 HG11 VAL A 80 11.439 5.493 -2.037 1.00 0.19 H new ATOM 0 HG12 VAL A 80 11.451 7.023 -2.945 1.00 0.19 H new ATOM 0 HG13 VAL A 80 11.246 7.040 -1.178 1.00 0.19 H new ATOM 0 HG21 VAL A 80 9.330 4.644 -1.059 1.00 0.20 H new ATOM 0 HG22 VAL A 80 9.065 6.171 -0.184 1.00 0.20 H new ATOM 0 HG23 VAL A 80 7.813 5.547 -1.284 1.00 0.20 H new ATOM 942 N LYS A 81 9.374 8.353 -4.684 1.00 0.25 N ATOM 943 CA LYS A 81 10.000 9.105 -5.768 1.00 0.31 C ATOM 944 C LYS A 81 9.515 10.555 -5.786 1.00 0.40 C ATOM 945 O LYS A 81 10.113 11.411 -6.443 1.00 0.66 O ATOM 946 CB LYS A 81 9.697 8.446 -7.114 1.00 0.36 C ATOM 947 CG LYS A 81 9.907 6.940 -7.121 1.00 0.45 C ATOM 948 CD LYS A 81 10.503 6.469 -8.437 1.00 0.73 C ATOM 949 CE LYS A 81 10.471 4.954 -8.559 1.00 0.68 C ATOM 950 NZ LYS A 81 11.227 4.475 -9.749 1.00 1.55 N ATOM 0 H LYS A 81 8.764 7.596 -4.991 1.00 0.25 H new ATOM 0 HA LYS A 81 11.077 9.102 -5.597 1.00 0.31 H new ATOM 0 HB2 LYS A 81 8.664 8.661 -7.389 1.00 0.36 H new ATOM 0 HB3 LYS A 81 10.330 8.895 -7.879 1.00 0.36 H new ATOM 0 HG2 LYS A 81 10.567 6.659 -6.300 1.00 0.45 H new ATOM 0 HG3 LYS A 81 8.955 6.438 -6.951 1.00 0.45 H new ATOM 0 HD2 LYS A 81 9.951 6.912 -9.266 1.00 0.73 H new ATOM 0 HD3 LYS A 81 11.532 6.819 -8.516 1.00 0.73 H new ATOM 0 HE2 LYS A 81 10.893 4.509 -7.658 1.00 0.68 H new ATOM 0 HE3 LYS A 81 9.437 4.617 -8.627 1.00 0.68 H new ATOM 0 HZ1 LYS A 81 11.180 3.437 -9.795 1.00 1.55 H new ATOM 0 HZ2 LYS A 81 10.809 4.879 -10.611 1.00 1.55 H new ATOM 0 HZ3 LYS A 81 12.220 4.774 -9.673 1.00 1.55 H new ATOM 964 N HIS A 82 8.433 10.828 -5.064 1.00 0.32 N ATOM 965 CA HIS A 82 7.873 12.174 -4.992 1.00 0.37 C ATOM 966 C HIS A 82 8.561 12.987 -3.901 1.00 0.61 C ATOM 967 O HIS A 82 8.980 14.123 -4.123 1.00 1.20 O ATOM 968 CB HIS A 82 6.369 12.106 -4.718 1.00 0.54 C ATOM 969 CG HIS A 82 5.660 13.405 -4.939 1.00 0.67 C ATOM 970 ND1 HIS A 82 5.290 13.858 -6.186 1.00 1.21 N ATOM 971 CD2 HIS A 82 5.247 14.354 -4.062 1.00 1.16 C ATOM 972 CE1 HIS A 82 4.682 15.025 -6.071 1.00 1.10 C ATOM 973 NE2 HIS A 82 4.645 15.348 -4.792 1.00 1.00 N ATOM 0 H HIS A 82 7.924 10.132 -4.518 1.00 0.32 H new ATOM 0 HA HIS A 82 8.041 12.665 -5.950 1.00 0.37 H new ATOM 0 HB2 HIS A 82 5.925 11.346 -5.361 1.00 0.54 H new ATOM 0 HB3 HIS A 82 6.210 11.786 -3.688 1.00 0.54 H new ATOM 0 HD2 HIS A 82 5.369 14.331 -2.989 1.00 1.16 H new ATOM 0 HE1 HIS A 82 4.284 15.614 -6.884 1.00 1.10 H new ATOM 0 HE2 HIS A 82 4.235 16.199 -4.408 1.00 1.00 H new ATOM 981 N GLU A 83 8.668 12.388 -2.722 1.00 0.36 N ATOM 982 CA GLU A 83 9.298 13.033 -1.575 1.00 0.48 C ATOM 983 C GLU A 83 10.772 12.659 -1.475 1.00 0.45 C ATOM 984 O GLU A 83 11.515 13.256 -0.702 1.00 0.86 O ATOM 985 CB GLU A 83 8.564 12.638 -0.291 1.00 0.65 C ATOM 986 CG GLU A 83 7.080 12.379 -0.503 1.00 0.70 C ATOM 987 CD GLU A 83 6.215 12.926 0.615 1.00 0.99 C ATOM 988 OE1 GLU A 83 6.483 14.054 1.077 1.00 1.20 O ATOM 989 OE2 GLU A 83 5.268 12.223 1.030 1.00 1.34 O ATOM 0 H GLU A 83 8.323 11.447 -2.533 1.00 0.36 H new ATOM 0 HA GLU A 83 9.234 14.113 -1.710 1.00 0.48 H new ATOM 0 HB2 GLU A 83 9.027 11.742 0.123 1.00 0.65 H new ATOM 0 HB3 GLU A 83 8.686 13.430 0.448 1.00 0.65 H new ATOM 0 HG2 GLU A 83 6.770 12.828 -1.447 1.00 0.70 H new ATOM 0 HG3 GLU A 83 6.914 11.305 -0.591 1.00 0.70 H new ATOM 996 N TYR A 84 11.174 11.647 -2.236 1.00 0.32 N ATOM 997 CA TYR A 84 12.553 11.165 -2.219 1.00 0.35 C ATOM 998 C TYR A 84 13.085 10.920 -3.630 1.00 0.39 C ATOM 999 O TYR A 84 12.353 10.490 -4.521 1.00 0.45 O ATOM 1000 CB TYR A 84 12.648 9.883 -1.386 1.00 0.30 C ATOM 1001 CG TYR A 84 12.623 10.141 0.100 1.00 0.26 C ATOM 1002 CD1 TYR A 84 11.421 10.278 0.782 1.00 0.29 C ATOM 1003 CD2 TYR A 84 13.801 10.264 0.816 1.00 0.36 C ATOM 1004 CE1 TYR A 84 11.400 10.530 2.141 1.00 0.32 C ATOM 1005 CE2 TYR A 84 13.791 10.518 2.173 1.00 0.36 C ATOM 1006 CZ TYR A 84 12.589 10.651 2.831 1.00 0.29 C ATOM 1007 OH TYR A 84 12.577 10.906 4.182 1.00 0.36 O ATOM 0 H TYR A 84 10.562 11.141 -2.876 1.00 0.32 H new ATOM 0 HA TYR A 84 13.172 11.939 -1.765 1.00 0.35 H new ATOM 0 HB2 TYR A 84 11.820 9.224 -1.648 1.00 0.30 H new ATOM 0 HB3 TYR A 84 13.568 9.357 -1.642 1.00 0.30 H new ATOM 0 HD1 TYR A 84 10.490 10.186 0.243 1.00 0.29 H new ATOM 0 HD2 TYR A 84 14.746 10.159 0.304 1.00 0.36 H new ATOM 0 HE1 TYR A 84 10.458 10.632 2.660 1.00 0.32 H new ATOM 0 HE2 TYR A 84 14.720 10.612 2.715 1.00 0.36 H new ATOM 0 HH TYR A 84 13.498 10.960 4.513 1.00 0.36 H new ATOM 1017 N ALA A 85 14.374 11.194 -3.815 1.00 0.44 N ATOM 1018 CA ALA A 85 15.030 11.007 -5.106 1.00 0.51 C ATOM 1019 C ALA A 85 16.241 10.082 -4.996 1.00 0.64 C ATOM 1020 O ALA A 85 16.936 10.082 -3.982 1.00 0.68 O ATOM 1021 CB ALA A 85 15.459 12.354 -5.676 1.00 0.52 C ATOM 0 H ALA A 85 14.988 11.549 -3.082 1.00 0.44 H new ATOM 0 HA ALA A 85 14.310 10.539 -5.777 1.00 0.51 H new ATOM 0 HB1 ALA A 85 15.947 12.203 -6.639 1.00 0.52 H new ATOM 0 HB2 ALA A 85 14.583 12.988 -5.809 1.00 0.52 H new ATOM 0 HB3 ALA A 85 16.154 12.835 -4.988 1.00 0.52 H new ATOM 1027 N LYS A 86 16.518 9.327 -6.060 1.00 0.80 N ATOM 1028 CA LYS A 86 17.680 8.442 -6.081 1.00 1.00 C ATOM 1029 C LYS A 86 18.868 9.197 -6.659 1.00 1.41 C ATOM 1030 O LYS A 86 18.776 9.760 -7.751 1.00 1.94 O ATOM 1031 CB LYS A 86 17.412 7.179 -6.909 1.00 1.31 C ATOM 1032 CG LYS A 86 18.393 6.044 -6.633 1.00 1.31 C ATOM 1033 CD LYS A 86 18.041 4.800 -7.433 1.00 1.52 C ATOM 1034 CE LYS A 86 18.793 4.748 -8.755 1.00 2.11 C ATOM 1035 NZ LYS A 86 18.956 3.350 -9.245 1.00 3.09 N ATOM 0 H LYS A 86 15.957 9.311 -6.912 1.00 0.80 H new ATOM 0 HA LYS A 86 17.894 8.128 -5.059 1.00 1.00 H new ATOM 0 HB2 LYS A 86 16.400 6.830 -6.705 1.00 1.31 H new ATOM 0 HB3 LYS A 86 17.454 7.434 -7.968 1.00 1.31 H new ATOM 0 HG2 LYS A 86 19.404 6.366 -6.884 1.00 1.31 H new ATOM 0 HG3 LYS A 86 18.388 5.808 -5.569 1.00 1.31 H new ATOM 0 HD2 LYS A 86 18.275 3.912 -6.846 1.00 1.52 H new ATOM 0 HD3 LYS A 86 16.968 4.782 -7.624 1.00 1.52 H new ATOM 0 HE2 LYS A 86 18.257 5.334 -9.501 1.00 2.11 H new ATOM 0 HE3 LYS A 86 19.774 5.207 -8.633 1.00 2.11 H new ATOM 0 HZ1 LYS A 86 19.531 3.351 -10.112 1.00 3.09 H new ATOM 0 HZ2 LYS A 86 19.430 2.780 -8.516 1.00 3.09 H new ATOM 0 HZ3 LYS A 86 18.021 2.943 -9.450 1.00 3.09 H new ATOM 1049 N GLY A 87 19.977 9.221 -5.934 1.00 1.29 N ATOM 1050 CA GLY A 87 21.148 9.930 -6.419 1.00 1.77 C ATOM 1051 C GLY A 87 21.879 9.144 -7.480 1.00 2.25 C ATOM 1052 O GLY A 87 21.348 8.157 -7.990 1.00 2.39 O ATOM 0 H GLY A 87 20.089 8.768 -5.027 1.00 1.29 H new ATOM 0 HA2 GLY A 87 20.846 10.895 -6.825 1.00 1.77 H new ATOM 0 HA3 GLY A 87 21.822 10.131 -5.586 1.00 1.77 H new ATOM 1056 N ASP A 88 23.092 9.562 -7.824 1.00 2.65 N ATOM 1057 CA ASP A 88 23.867 8.865 -8.843 1.00 3.15 C ATOM 1058 C ASP A 88 24.298 7.476 -8.372 1.00 2.99 C ATOM 1059 O ASP A 88 25.288 6.931 -8.860 1.00 3.40 O ATOM 1060 CB ASP A 88 25.100 9.690 -9.232 1.00 3.64 C ATOM 1061 CG ASP A 88 25.964 10.047 -8.039 1.00 3.89 C ATOM 1062 OD1 ASP A 88 25.417 10.560 -7.040 1.00 4.30 O ATOM 1063 OD2 ASP A 88 27.191 9.815 -8.104 1.00 4.11 O ATOM 0 H ASP A 88 23.557 10.373 -7.416 1.00 2.65 H new ATOM 0 HA ASP A 88 23.225 8.741 -9.715 1.00 3.15 H new ATOM 0 HB2 ASP A 88 25.696 9.129 -9.952 1.00 3.64 H new ATOM 0 HB3 ASP A 88 24.778 10.605 -9.729 1.00 3.64 H new ATOM 1068 N ASP A 89 23.538 6.889 -7.447 1.00 2.50 N ATOM 1069 CA ASP A 89 23.822 5.562 -6.943 1.00 2.33 C ATOM 1070 C ASP A 89 22.498 4.830 -6.749 1.00 1.98 C ATOM 1071 O ASP A 89 21.478 5.237 -7.303 1.00 1.80 O ATOM 1072 CB ASP A 89 24.592 5.637 -5.623 1.00 2.17 C ATOM 1073 CG ASP A 89 25.804 6.544 -5.712 1.00 2.86 C ATOM 1074 OD1 ASP A 89 26.877 6.061 -6.132 1.00 3.11 O ATOM 1075 OD2 ASP A 89 25.681 7.735 -5.359 1.00 3.51 O ATOM 0 H ASP A 89 22.714 7.325 -7.033 1.00 2.50 H new ATOM 0 HA ASP A 89 24.445 5.022 -7.656 1.00 2.33 H new ATOM 0 HB2 ASP A 89 23.928 5.999 -4.838 1.00 2.17 H new ATOM 0 HB3 ASP A 89 24.911 4.636 -5.334 1.00 2.17 H new ATOM 1080 N ASP A 90 22.501 3.764 -5.965 1.00 2.01 N ATOM 1081 CA ASP A 90 21.278 3.014 -5.718 1.00 1.83 C ATOM 1082 C ASP A 90 20.691 3.386 -4.365 1.00 1.46 C ATOM 1083 O ASP A 90 20.159 2.542 -3.649 1.00 1.56 O ATOM 1084 CB ASP A 90 21.541 1.506 -5.794 1.00 2.05 C ATOM 1085 CG ASP A 90 20.987 0.884 -7.061 1.00 2.47 C ATOM 1086 OD1 ASP A 90 20.151 1.530 -7.727 1.00 2.68 O ATOM 1087 OD2 ASP A 90 21.391 -0.253 -7.388 1.00 2.98 O ATOM 0 H ASP A 90 23.328 3.400 -5.492 1.00 2.01 H new ATOM 0 HA ASP A 90 20.555 3.273 -6.492 1.00 1.83 H new ATOM 0 HB2 ASP A 90 22.615 1.325 -5.743 1.00 2.05 H new ATOM 0 HB3 ASP A 90 21.094 1.018 -4.928 1.00 2.05 H new ATOM 1092 N LYS A 91 20.788 4.663 -4.036 1.00 1.26 N ATOM 1093 CA LYS A 91 20.265 5.179 -2.786 1.00 0.94 C ATOM 1094 C LYS A 91 19.366 6.371 -3.050 1.00 0.97 C ATOM 1095 O LYS A 91 19.455 7.004 -4.101 1.00 1.41 O ATOM 1096 CB LYS A 91 21.409 5.587 -1.875 1.00 1.05 C ATOM 1097 CG LYS A 91 21.848 4.486 -0.931 1.00 0.97 C ATOM 1098 CD LYS A 91 23.021 4.924 -0.068 1.00 1.26 C ATOM 1099 CE LYS A 91 24.266 4.106 -0.366 1.00 1.48 C ATOM 1100 NZ LYS A 91 25.094 3.893 0.852 1.00 2.02 N ATOM 0 H LYS A 91 21.230 5.368 -4.626 1.00 1.26 H new ATOM 0 HA LYS A 91 19.682 4.398 -2.298 1.00 0.94 H new ATOM 0 HB2 LYS A 91 22.259 5.892 -2.486 1.00 1.05 H new ATOM 0 HB3 LYS A 91 21.107 6.457 -1.292 1.00 1.05 H new ATOM 0 HG2 LYS A 91 21.013 4.199 -0.292 1.00 0.97 H new ATOM 0 HG3 LYS A 91 22.128 3.603 -1.506 1.00 0.97 H new ATOM 0 HD2 LYS A 91 23.228 5.980 -0.242 1.00 1.26 H new ATOM 0 HD3 LYS A 91 22.759 4.819 0.985 1.00 1.26 H new ATOM 0 HE2 LYS A 91 23.976 3.141 -0.781 1.00 1.48 H new ATOM 0 HE3 LYS A 91 24.861 4.614 -1.125 1.00 1.48 H new ATOM 0 HZ1 LYS A 91 25.934 3.331 0.607 1.00 2.02 H new ATOM 0 HZ2 LYS A 91 25.393 4.813 1.234 1.00 2.02 H new ATOM 0 HZ3 LYS A 91 24.535 3.386 1.568 1.00 2.02 H new ATOM 1114 N TRP A 92 18.494 6.671 -2.101 1.00 0.52 N ATOM 1115 CA TRP A 92 17.572 7.786 -2.254 1.00 0.45 C ATOM 1116 C TRP A 92 17.771 8.847 -1.176 1.00 0.43 C ATOM 1117 O TRP A 92 18.398 8.600 -0.150 1.00 0.52 O ATOM 1118 CB TRP A 92 16.127 7.288 -2.230 1.00 0.42 C ATOM 1119 CG TRP A 92 15.854 6.231 -3.256 1.00 0.49 C ATOM 1120 CD1 TRP A 92 16.404 4.987 -3.307 1.00 0.60 C ATOM 1121 CD2 TRP A 92 14.970 6.328 -4.376 1.00 0.53 C ATOM 1122 NE1 TRP A 92 15.913 4.298 -4.390 1.00 0.72 N ATOM 1123 CE2 TRP A 92 15.031 5.101 -5.063 1.00 0.68 C ATOM 1124 CE3 TRP A 92 14.129 7.333 -4.865 1.00 0.52 C ATOM 1125 CZ2 TRP A 92 14.285 4.852 -6.211 1.00 0.79 C ATOM 1126 CZ3 TRP A 92 13.390 7.084 -6.005 1.00 0.62 C ATOM 1127 CH2 TRP A 92 13.471 5.854 -6.666 1.00 0.75 C ATOM 0 H TRP A 92 18.405 6.162 -1.222 1.00 0.52 H new ATOM 0 HA TRP A 92 17.783 8.248 -3.218 1.00 0.45 H new ATOM 0 HB2 TRP A 92 15.902 6.892 -1.240 1.00 0.42 H new ATOM 0 HB3 TRP A 92 15.456 8.130 -2.397 1.00 0.42 H new ATOM 0 HD1 TRP A 92 17.122 4.598 -2.600 1.00 0.60 H new ATOM 0 HE1 TRP A 92 16.164 3.344 -4.650 1.00 0.72 H new ATOM 0 HE3 TRP A 92 14.059 8.286 -4.361 1.00 0.52 H new ATOM 0 HZ2 TRP A 92 14.346 3.904 -6.724 1.00 0.79 H new ATOM 0 HZ3 TRP A 92 12.738 7.853 -6.393 1.00 0.62 H new ATOM 0 HH2 TRP A 92 12.879 5.691 -7.554 1.00 0.75 H new ATOM 1138 N HIS A 93 17.219 10.029 -1.434 1.00 0.40 N ATOM 1139 CA HIS A 93 17.301 11.156 -0.511 1.00 0.48 C ATOM 1140 C HIS A 93 16.034 11.998 -0.640 1.00 0.48 C ATOM 1141 O HIS A 93 15.551 12.225 -1.748 1.00 0.46 O ATOM 1142 CB HIS A 93 18.540 12.002 -0.809 1.00 0.62 C ATOM 1143 CG HIS A 93 18.586 12.522 -2.212 1.00 0.75 C ATOM 1144 ND1 HIS A 93 18.280 13.825 -2.543 1.00 1.11 N ATOM 1145 CD2 HIS A 93 18.904 11.907 -3.376 1.00 0.83 C ATOM 1146 CE1 HIS A 93 18.407 13.992 -3.847 1.00 1.15 C ATOM 1147 NE2 HIS A 93 18.786 12.843 -4.376 1.00 0.95 N ATOM 0 H HIS A 93 16.702 10.232 -2.289 1.00 0.40 H new ATOM 0 HA HIS A 93 17.386 10.784 0.510 1.00 0.48 H new ATOM 0 HB2 HIS A 93 18.570 12.844 -0.117 1.00 0.62 H new ATOM 0 HB3 HIS A 93 19.432 11.404 -0.622 1.00 0.62 H new ATOM 0 HD2 HIS A 93 19.196 10.874 -3.496 1.00 0.83 H new ATOM 0 HE1 HIS A 93 18.231 14.910 -4.388 1.00 1.15 H new ATOM 0 HE2 HIS A 93 18.963 12.677 -5.367 1.00 0.95 H new ATOM 1155 N LYS A 94 15.469 12.430 0.486 1.00 0.49 N ATOM 1156 CA LYS A 94 14.231 13.204 0.443 1.00 0.48 C ATOM 1157 C LYS A 94 14.343 14.436 -0.430 1.00 0.49 C ATOM 1158 O LYS A 94 15.179 15.314 -0.207 1.00 0.51 O ATOM 1159 CB LYS A 94 13.746 13.619 1.828 1.00 0.58 C ATOM 1160 CG LYS A 94 12.245 13.882 1.844 1.00 0.57 C ATOM 1161 CD LYS A 94 11.780 14.449 3.173 1.00 0.75 C ATOM 1162 CE LYS A 94 10.261 14.493 3.251 1.00 0.86 C ATOM 1163 NZ LYS A 94 9.760 15.855 3.586 1.00 0.93 N ATOM 0 H LYS A 94 15.840 12.262 1.421 1.00 0.49 H new ATOM 0 HA LYS A 94 13.497 12.528 0.004 1.00 0.48 H new ATOM 0 HB2 LYS A 94 13.986 12.836 2.547 1.00 0.58 H new ATOM 0 HB3 LYS A 94 14.276 14.517 2.145 1.00 0.58 H new ATOM 0 HG2 LYS A 94 11.991 14.578 1.044 1.00 0.57 H new ATOM 0 HG3 LYS A 94 11.712 12.953 1.640 1.00 0.57 H new ATOM 0 HD2 LYS A 94 12.171 13.840 3.988 1.00 0.75 H new ATOM 0 HD3 LYS A 94 12.183 15.453 3.304 1.00 0.75 H new ATOM 0 HE2 LYS A 94 9.839 14.176 2.297 1.00 0.86 H new ATOM 0 HE3 LYS A 94 9.916 13.784 4.004 1.00 0.86 H new ATOM 0 HZ1 LYS A 94 8.866 15.777 4.111 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 10.463 16.349 4.171 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 9.600 16.392 2.709 1.00 0.93 H new ATOM 1177 N LYS A 95 13.458 14.493 -1.407 1.00 0.52 N ATOM 1178 CA LYS A 95 13.383 15.603 -2.322 1.00 0.58 C ATOM 1179 C LYS A 95 12.656 16.768 -1.653 1.00 0.68 C ATOM 1180 O LYS A 95 13.281 17.687 -1.123 1.00 0.93 O ATOM 1181 CB LYS A 95 12.650 15.170 -3.587 1.00 0.56 C ATOM 1182 CG LYS A 95 13.542 14.466 -4.591 1.00 0.56 C ATOM 1183 CD LYS A 95 14.216 15.456 -5.528 1.00 0.65 C ATOM 1184 CE LYS A 95 13.573 15.445 -6.906 1.00 0.96 C ATOM 1185 NZ LYS A 95 14.144 16.491 -7.798 1.00 1.87 N ATOM 0 H LYS A 95 12.769 13.763 -1.585 1.00 0.52 H new ATOM 0 HA LYS A 95 14.388 15.927 -2.593 1.00 0.58 H new ATOM 0 HB2 LYS A 95 11.830 14.506 -3.313 1.00 0.56 H new ATOM 0 HB3 LYS A 95 12.207 16.047 -4.059 1.00 0.56 H new ATOM 0 HG2 LYS A 95 14.301 13.889 -4.063 1.00 0.56 H new ATOM 0 HG3 LYS A 95 12.950 13.759 -5.172 1.00 0.56 H new ATOM 0 HD2 LYS A 95 14.155 16.459 -5.105 1.00 0.65 H new ATOM 0 HD3 LYS A 95 15.274 15.212 -5.617 1.00 0.65 H new ATOM 0 HE2 LYS A 95 13.711 14.465 -7.362 1.00 0.96 H new ATOM 0 HE3 LYS A 95 12.499 15.601 -6.806 1.00 0.96 H new ATOM 0 HZ1 LYS A 95 13.677 16.448 -8.726 1.00 1.87 H new ATOM 0 HZ2 LYS A 95 13.990 17.429 -7.376 1.00 1.87 H new ATOM 0 HZ3 LYS A 95 15.164 16.328 -7.916 1.00 1.87 H new ATOM 1199 N SER A 96 11.328 16.711 -1.683 1.00 0.74 N ATOM 1200 CA SER A 96 10.498 17.749 -1.082 1.00 0.87 C ATOM 1201 C SER A 96 10.381 17.548 0.426 1.00 0.86 C ATOM 1202 O SER A 96 9.505 16.767 0.851 1.00 1.19 O ATOM 1203 CB SER A 96 9.105 17.752 -1.716 1.00 1.27 C ATOM 1204 OG SER A 96 8.448 18.995 -1.515 1.00 1.84 O ATOM 1205 OXT SER A 96 11.169 18.172 1.168 1.00 1.65 O ATOM 0 H SER A 96 10.802 15.954 -2.119 1.00 0.74 H new ATOM 0 HA SER A 96 10.976 18.711 -1.267 1.00 0.87 H new ATOM 0 HB2 SER A 96 9.189 17.551 -2.784 1.00 1.27 H new ATOM 0 HB3 SER A 96 8.506 16.948 -1.287 1.00 1.27 H new ATOM 0 HG SER A 96 7.562 18.968 -1.932 1.00 1.84 H new