USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 761 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 39 HIS :FLIP no HE2:sc= 0.179 F(o=-0.71,f=0.18) USER MOD Set 1.2: A 44 SER OG : rot 160:sc= 0 USER MOD Set 2.1: A 19 GLN : amide:sc= 0.563 X(o=-0.086,f=-0.47) USER MOD Set 2.2: A 20 GLN : amide:sc= -0.181 X(o=-0.086,f=-0.47) USER MOD Set 2.3: A 23 GLN : amide:sc= -0.468 X(o=-0.086,f=-0.47) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.102 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -22:sc= 0.328 USER MOD Single : A 14 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.7!) USER MOD Single : A 17 SER OG : rot 180:sc= -1.66! USER MOD Single : A 21 GLN : amide:sc= -2.54! C(o=-2.5!,f=-4.2!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 24 THR OG1 : rot 140:sc= -0.0442 USER MOD Single : A 27 THR OG1 : rot 87:sc= 0.287 USER MOD Single : A 33 THR OG1 : rot 71:sc= -0.242 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= 0.0469 F(o=-0.58,f=0.047) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00135 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.61! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.276 USER MOD Single : A 66 ASN : amide:sc= -0.0479 K(o=-0.048,f=-4.5!) USER MOD Single : A 67 THR OG1 : rot 77:sc= 0.163 USER MOD Single : A 69 THR OG1 : rot -52:sc= 1.31 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -2.04! C(o=-2!,f=-3.5!) USER MOD Single : A 72 THR OG1 : rot -73:sc= -0.0819 USER MOD Single : A 79 THR OG1 : rot -5:sc= 1.11 USER MOD Single : A 84 HIS : no HE2:sc= -0.513 X(o=-0.51,f=-0.51) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.71 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 91 THR OG1 : rot 93:sc= 1.1 USER MOD Single : A 92 GLN : amide:sc= -0.0612 K(o=-0.061,f=-3!) USER MOD Single : A 93 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-3.7!) USER MOD Single : A 95 HIS : no HD1:sc= 0.0878 K(o=0.088,f=-0.98) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -35:sc= 0.785 USER MOD Single : A 100 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.74) USER MOD Single : A 101 SER OG : rot -104:sc= 0.679 USER MOD Single : A 102 HIS :FLIP no HD1:sc= -0.034 F(o=-2,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.675 -10.757 -16.549 1.00 4.47 N ATOM 2 CA GLY A 1 6.859 -10.822 -15.080 1.00 3.97 C ATOM 3 C GLY A 1 7.173 -9.467 -14.496 1.00 3.37 C ATOM 4 O GLY A 1 7.457 -8.522 -15.231 1.00 3.50 O ATOM 0 H1 GLY A 1 5.659 -10.762 -16.772 1.00 4.47 H new ATOM 0 H2 GLY A 1 7.106 -9.884 -16.915 1.00 4.47 H new ATOM 0 H3 GLY A 1 7.131 -11.580 -16.993 1.00 4.47 H new ATOM 0 HA2 GLY A 1 5.955 -11.217 -14.617 1.00 3.97 H new ATOM 0 HA3 GLY A 1 7.666 -11.516 -14.845 1.00 3.97 H new ATOM 10 N ALA A 2 7.119 -9.363 -13.179 1.00 3.02 N ATOM 11 CA ALA A 2 7.446 -8.118 -12.506 1.00 2.58 C ATOM 12 C ALA A 2 8.903 -8.118 -12.067 1.00 2.13 C ATOM 13 O ALA A 2 9.509 -7.054 -11.915 1.00 2.41 O ATOM 14 CB ALA A 2 6.529 -7.901 -11.310 1.00 2.87 C ATOM 0 H ALA A 2 6.852 -10.125 -12.555 1.00 3.02 H new ATOM 0 HA ALA A 2 7.297 -7.297 -13.207 1.00 2.58 H new ATOM 0 HB1 ALA A 2 6.788 -6.964 -10.818 1.00 2.87 H new ATOM 0 HB2 ALA A 2 5.494 -7.859 -11.648 1.00 2.87 H new ATOM 0 HB3 ALA A 2 6.648 -8.725 -10.606 1.00 2.87 H new ATOM 20 N ALA A 3 9.446 -9.328 -11.880 1.00 1.91 N ATOM 21 CA ALA A 3 10.825 -9.542 -11.423 1.00 1.62 C ATOM 22 C ALA A 3 11.014 -9.069 -9.986 1.00 1.42 C ATOM 23 O ALA A 3 11.250 -9.875 -9.087 1.00 1.97 O ATOM 24 CB ALA A 3 11.829 -8.869 -12.351 1.00 1.64 C ATOM 0 H ALA A 3 8.934 -10.195 -12.044 1.00 1.91 H new ATOM 0 HA ALA A 3 11.012 -10.616 -11.450 1.00 1.62 H new ATOM 0 HB1 ALA A 3 12.840 -9.047 -11.984 1.00 1.64 H new ATOM 0 HB2 ALA A 3 11.730 -9.281 -13.355 1.00 1.64 H new ATOM 0 HB3 ALA A 3 11.637 -7.796 -12.379 1.00 1.64 H new ATOM 30 N SER A 4 10.872 -7.769 -9.780 1.00 0.96 N ATOM 31 CA SER A 4 11.026 -7.160 -8.474 1.00 0.76 C ATOM 32 C SER A 4 10.777 -5.667 -8.568 1.00 0.67 C ATOM 33 O SER A 4 11.598 -4.921 -9.096 1.00 0.72 O ATOM 34 CB SER A 4 12.421 -7.408 -7.891 1.00 0.82 C ATOM 35 OG SER A 4 12.534 -6.845 -6.592 1.00 1.73 O ATOM 0 H SER A 4 10.645 -7.105 -10.521 1.00 0.96 H new ATOM 0 HA SER A 4 10.295 -7.620 -7.809 1.00 0.76 H new ATOM 0 HB2 SER A 4 12.615 -8.480 -7.846 1.00 0.82 H new ATOM 0 HB3 SER A 4 13.176 -6.974 -8.547 1.00 0.82 H new ATOM 0 HG SER A 4 13.432 -7.016 -6.238 1.00 1.73 H new ATOM 41 N ALA A 5 9.630 -5.231 -8.088 1.00 0.62 N ATOM 42 CA ALA A 5 9.381 -3.814 -7.935 1.00 0.56 C ATOM 43 C ALA A 5 9.710 -3.407 -6.513 1.00 0.49 C ATOM 44 O ALA A 5 9.469 -2.282 -6.099 1.00 0.45 O ATOM 45 CB ALA A 5 7.948 -3.464 -8.287 1.00 0.59 C ATOM 0 H ALA A 5 8.860 -5.834 -7.799 1.00 0.62 H new ATOM 0 HA ALA A 5 10.019 -3.262 -8.625 1.00 0.56 H new ATOM 0 HB1 ALA A 5 7.794 -2.392 -8.162 1.00 0.59 H new ATOM 0 HB2 ALA A 5 7.750 -3.740 -9.323 1.00 0.59 H new ATOM 0 HB3 ALA A 5 7.269 -4.008 -7.630 1.00 0.59 H new ATOM 51 N ALA A 6 10.295 -4.342 -5.776 1.00 0.50 N ATOM 52 CA ALA A 6 10.767 -4.078 -4.428 1.00 0.46 C ATOM 53 C ALA A 6 12.094 -3.369 -4.507 1.00 0.48 C ATOM 54 O ALA A 6 12.523 -2.695 -3.573 1.00 0.56 O ATOM 55 CB ALA A 6 10.905 -5.381 -3.662 1.00 0.51 C ATOM 0 H ALA A 6 10.454 -5.298 -6.095 1.00 0.50 H new ATOM 0 HA ALA A 6 10.051 -3.447 -3.901 1.00 0.46 H new ATOM 0 HB1 ALA A 6 11.259 -5.174 -2.652 1.00 0.51 H new ATOM 0 HB2 ALA A 6 9.936 -5.878 -3.612 1.00 0.51 H new ATOM 0 HB3 ALA A 6 11.619 -6.029 -4.171 1.00 0.51 H new ATOM 61 N THR A 7 12.728 -3.516 -5.653 1.00 0.52 N ATOM 62 CA THR A 7 13.961 -2.828 -5.921 1.00 0.52 C ATOM 63 C THR A 7 13.661 -1.535 -6.666 1.00 0.50 C ATOM 64 O THR A 7 14.529 -0.679 -6.832 1.00 0.51 O ATOM 65 CB THR A 7 14.949 -3.708 -6.712 1.00 0.61 C ATOM 66 OG1 THR A 7 16.172 -3.001 -6.955 1.00 0.64 O ATOM 67 CG2 THR A 7 14.349 -4.167 -8.032 1.00 0.69 C ATOM 0 H THR A 7 12.402 -4.111 -6.414 1.00 0.52 H new ATOM 0 HA THR A 7 14.443 -2.595 -4.971 1.00 0.52 H new ATOM 0 HB THR A 7 15.160 -4.589 -6.106 1.00 0.61 H new ATOM 0 HG1 THR A 7 16.010 -2.036 -6.892 1.00 0.64 H new ATOM 0 HG21 THR A 7 15.072 -4.785 -8.565 1.00 0.69 H new ATOM 0 HG22 THR A 7 13.447 -4.748 -7.839 1.00 0.69 H new ATOM 0 HG23 THR A 7 14.098 -3.297 -8.639 1.00 0.69 H new ATOM 75 N ASP A 8 12.403 -1.373 -7.082 1.00 0.49 N ATOM 76 CA ASP A 8 11.950 -0.129 -7.681 1.00 0.48 C ATOM 77 C ASP A 8 11.356 0.730 -6.603 1.00 0.40 C ATOM 78 O ASP A 8 11.502 1.939 -6.586 1.00 0.40 O ATOM 79 CB ASP A 8 10.864 -0.368 -8.716 1.00 0.54 C ATOM 80 CG ASP A 8 11.331 -0.159 -10.139 1.00 0.64 C ATOM 81 OD1 ASP A 8 11.903 -1.099 -10.727 1.00 0.75 O ATOM 82 OD2 ASP A 8 11.110 0.945 -10.684 1.00 0.73 O ATOM 0 H ASP A 8 11.684 -2.093 -7.012 1.00 0.49 H new ATOM 0 HA ASP A 8 12.806 0.344 -8.162 1.00 0.48 H new ATOM 0 HB2 ASP A 8 10.490 -1.386 -8.610 1.00 0.54 H new ATOM 0 HB3 ASP A 8 10.027 0.301 -8.514 1.00 0.54 H new ATOM 87 N LEU A 9 10.677 0.081 -5.685 1.00 0.36 N ATOM 88 CA LEU A 9 10.052 0.783 -4.601 1.00 0.30 C ATOM 89 C LEU A 9 11.114 1.402 -3.744 1.00 0.28 C ATOM 90 O LEU A 9 11.134 2.606 -3.510 1.00 0.26 O ATOM 91 CB LEU A 9 9.235 -0.145 -3.739 1.00 0.29 C ATOM 92 CG LEU A 9 8.759 0.516 -2.464 1.00 0.25 C ATOM 93 CD1 LEU A 9 7.758 1.613 -2.794 1.00 0.24 C ATOM 94 CD2 LEU A 9 8.198 -0.520 -1.520 1.00 0.26 C ATOM 0 H LEU A 9 10.547 -0.931 -5.672 1.00 0.36 H new ATOM 0 HA LEU A 9 9.393 1.540 -5.026 1.00 0.30 H new ATOM 0 HB2 LEU A 9 8.373 -0.497 -4.306 1.00 0.29 H new ATOM 0 HB3 LEU A 9 9.832 -1.022 -3.489 1.00 0.29 H new ATOM 0 HG LEU A 9 9.599 0.988 -1.954 1.00 0.25 H new ATOM 0 HD11 LEU A 9 7.419 2.085 -1.872 1.00 0.24 H new ATOM 0 HD12 LEU A 9 8.233 2.359 -3.431 1.00 0.24 H new ATOM 0 HD13 LEU A 9 6.904 1.181 -3.316 1.00 0.24 H new ATOM 0 HD21 LEU A 9 7.858 -0.033 -0.606 1.00 0.26 H new ATOM 0 HD22 LEU A 9 7.358 -1.028 -1.994 1.00 0.26 H new ATOM 0 HD23 LEU A 9 8.972 -1.248 -1.277 1.00 0.26 H new ATOM 106 N ALA A 10 12.005 0.542 -3.291 1.00 0.31 N ATOM 107 CA ALA A 10 13.187 0.971 -2.559 1.00 0.32 C ATOM 108 C ALA A 10 13.984 2.003 -3.350 1.00 0.35 C ATOM 109 O ALA A 10 14.849 2.654 -2.797 1.00 0.39 O ATOM 110 CB ALA A 10 14.072 -0.221 -2.225 1.00 0.42 C ATOM 0 H ALA A 10 11.934 -0.468 -3.417 1.00 0.31 H new ATOM 0 HA ALA A 10 12.850 1.435 -1.632 1.00 0.32 H new ATOM 0 HB1 ALA A 10 14.951 0.120 -1.678 1.00 0.42 H new ATOM 0 HB2 ALA A 10 13.514 -0.928 -1.611 1.00 0.42 H new ATOM 0 HB3 ALA A 10 14.386 -0.710 -3.147 1.00 0.42 H new ATOM 116 N ALA A 11 13.669 2.180 -4.628 1.00 0.36 N ATOM 117 CA ALA A 11 14.350 3.163 -5.446 1.00 0.41 C ATOM 118 C ALA A 11 13.779 4.546 -5.168 1.00 0.39 C ATOM 119 O ALA A 11 14.522 5.525 -5.096 1.00 0.44 O ATOM 120 CB ALA A 11 14.220 2.810 -6.911 1.00 0.51 C ATOM 0 H ALA A 11 12.945 1.653 -5.116 1.00 0.36 H new ATOM 0 HA ALA A 11 15.410 3.167 -5.194 1.00 0.41 H new ATOM 0 HB1 ALA A 11 14.737 3.558 -7.513 1.00 0.51 H new ATOM 0 HB2 ALA A 11 14.664 1.831 -7.090 1.00 0.51 H new ATOM 0 HB3 ALA A 11 13.166 2.787 -7.188 1.00 0.51 H new ATOM 126 N ARG A 12 12.453 4.627 -5.007 1.00 0.36 N ATOM 127 CA ARG A 12 11.801 5.856 -4.576 1.00 0.41 C ATOM 128 C ARG A 12 12.219 6.207 -3.155 1.00 0.34 C ATOM 129 O ARG A 12 12.257 7.371 -2.768 1.00 0.38 O ATOM 130 CB ARG A 12 10.280 5.670 -4.583 1.00 0.54 C ATOM 131 CG ARG A 12 9.590 5.801 -5.924 1.00 0.68 C ATOM 132 CD ARG A 12 9.736 4.550 -6.759 1.00 0.64 C ATOM 133 NE ARG A 12 10.887 4.632 -7.663 1.00 1.29 N ATOM 134 CZ ARG A 12 11.060 3.857 -8.735 1.00 1.49 C ATOM 135 NH1 ARG A 12 10.169 2.919 -9.037 1.00 1.30 N ATOM 136 NH2 ARG A 12 12.127 4.027 -9.505 1.00 2.35 N ATOM 0 H ARG A 12 11.814 3.849 -5.171 1.00 0.36 H new ATOM 0 HA ARG A 12 12.094 6.651 -5.261 1.00 0.41 H new ATOM 0 HB2 ARG A 12 10.055 4.683 -4.178 1.00 0.54 H new ATOM 0 HB3 ARG A 12 9.844 6.401 -3.902 1.00 0.54 H new ATOM 0 HG2 ARG A 12 8.532 6.012 -5.768 1.00 0.68 H new ATOM 0 HG3 ARG A 12 10.008 6.650 -6.466 1.00 0.68 H new ATOM 0 HD2 ARG A 12 9.849 3.686 -6.104 1.00 0.64 H new ATOM 0 HD3 ARG A 12 8.827 4.392 -7.340 1.00 0.64 H new ATOM 0 HE ARG A 12 11.604 5.328 -7.459 1.00 1.29 H new ATOM 0 HH11 ARG A 12 9.347 2.788 -8.448 1.00 1.30 H new ATOM 0 HH12 ARG A 12 10.307 2.330 -9.858 1.00 1.30 H new ATOM 0 HH21 ARG A 12 12.811 4.748 -9.276 1.00 2.35 H new ATOM 0 HH22 ARG A 12 12.263 3.437 -10.326 1.00 2.35 H new ATOM 150 N LEU A 13 12.512 5.173 -2.389 1.00 0.29 N ATOM 151 CA LEU A 13 12.757 5.306 -0.962 1.00 0.28 C ATOM 152 C LEU A 13 14.207 5.638 -0.698 1.00 0.31 C ATOM 153 O LEU A 13 14.533 6.493 0.120 1.00 0.33 O ATOM 154 CB LEU A 13 12.376 4.006 -0.254 1.00 0.27 C ATOM 155 CG LEU A 13 10.873 3.800 0.033 1.00 0.27 C ATOM 156 CD1 LEU A 13 10.017 4.138 -1.163 1.00 0.74 C ATOM 157 CD2 LEU A 13 10.606 2.376 0.485 1.00 0.70 C ATOM 0 H LEU A 13 12.587 4.217 -2.737 1.00 0.29 H new ATOM 0 HA LEU A 13 12.145 6.121 -0.574 1.00 0.28 H new ATOM 0 HB2 LEU A 13 12.726 3.171 -0.860 1.00 0.27 H new ATOM 0 HB3 LEU A 13 12.915 3.961 0.693 1.00 0.27 H new ATOM 0 HG LEU A 13 10.601 4.485 0.836 1.00 0.27 H new ATOM 0 HD11 LEU A 13 8.967 3.979 -0.916 1.00 0.74 H new ATOM 0 HD12 LEU A 13 10.171 5.182 -1.437 1.00 0.74 H new ATOM 0 HD13 LEU A 13 10.294 3.498 -2.001 1.00 0.74 H new ATOM 0 HD21 LEU A 13 9.541 2.250 0.682 1.00 0.70 H new ATOM 0 HD22 LEU A 13 10.914 1.682 -0.297 1.00 0.70 H new ATOM 0 HD23 LEU A 13 11.170 2.171 1.395 1.00 0.70 H new ATOM 169 N ASN A 14 15.064 4.934 -1.388 1.00 0.35 N ATOM 170 CA ASN A 14 16.501 5.160 -1.327 1.00 0.41 C ATOM 171 C ASN A 14 16.849 6.613 -1.618 1.00 0.43 C ATOM 172 O ASN A 14 16.451 7.171 -2.645 1.00 0.84 O ATOM 173 CB ASN A 14 17.184 4.245 -2.331 1.00 0.52 C ATOM 174 CG ASN A 14 17.631 2.928 -1.725 1.00 0.81 C ATOM 175 OD1 ASN A 14 17.905 2.834 -0.528 1.00 1.39 O ATOM 176 ND2 ASN A 14 17.712 1.899 -2.554 1.00 0.65 N ATOM 0 H ASN A 14 14.792 4.178 -2.017 1.00 0.35 H new ATOM 0 HA ASN A 14 16.850 4.937 -0.319 1.00 0.41 H new ATOM 0 HB2 ASN A 14 16.500 4.045 -3.156 1.00 0.52 H new ATOM 0 HB3 ASN A 14 18.049 4.758 -2.751 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.010 0.987 -2.208 1.00 0.65 H new ATOM 0 HD22 ASN A 14 17.476 2.018 -3.539 1.00 0.65 H new ATOM 183 N GLY A 15 17.586 7.221 -0.703 1.00 0.48 N ATOM 184 CA GLY A 15 17.933 8.617 -0.835 1.00 0.49 C ATOM 185 C GLY A 15 16.999 9.507 -0.051 1.00 0.46 C ATOM 186 O GLY A 15 17.283 10.687 0.166 1.00 0.56 O ATOM 0 H GLY A 15 17.952 6.768 0.134 1.00 0.48 H new ATOM 0 HA2 GLY A 15 18.955 8.771 -0.490 1.00 0.49 H new ATOM 0 HA3 GLY A 15 17.906 8.900 -1.887 1.00 0.49 H new ATOM 190 N LEU A 16 15.882 8.942 0.373 1.00 0.38 N ATOM 191 CA LEU A 16 14.863 9.691 1.081 1.00 0.35 C ATOM 192 C LEU A 16 14.880 9.382 2.570 1.00 0.35 C ATOM 193 O LEU A 16 15.466 8.390 3.011 1.00 0.37 O ATOM 194 CB LEU A 16 13.482 9.378 0.496 1.00 0.32 C ATOM 195 CG LEU A 16 13.083 10.197 -0.729 1.00 0.35 C ATOM 196 CD1 LEU A 16 13.177 11.664 -0.398 1.00 0.94 C ATOM 197 CD2 LEU A 16 13.954 9.862 -1.931 1.00 0.82 C ATOM 0 H LEU A 16 15.658 7.956 0.236 1.00 0.38 H new ATOM 0 HA LEU A 16 15.078 10.752 0.956 1.00 0.35 H new ATOM 0 HB2 LEU A 16 13.451 8.321 0.230 1.00 0.32 H new ATOM 0 HB3 LEU A 16 12.734 9.533 1.274 1.00 0.32 H new ATOM 0 HG LEU A 16 12.056 9.948 -0.995 1.00 0.35 H new ATOM 0 HD11 LEU A 16 12.893 12.253 -1.270 1.00 0.94 H new ATOM 0 HD12 LEU A 16 12.506 11.894 0.429 1.00 0.94 H new ATOM 0 HD13 LEU A 16 14.201 11.908 -0.113 1.00 0.94 H new ATOM 0 HD21 LEU A 16 13.642 10.463 -2.785 1.00 0.82 H new ATOM 0 HD22 LEU A 16 14.996 10.078 -1.696 1.00 0.82 H new ATOM 0 HD23 LEU A 16 13.848 8.805 -2.174 1.00 0.82 H new ATOM 209 N SER A 17 14.241 10.252 3.337 1.00 0.35 N ATOM 210 CA SER A 17 14.094 10.067 4.769 1.00 0.37 C ATOM 211 C SER A 17 12.989 9.060 5.045 1.00 0.33 C ATOM 212 O SER A 17 12.188 8.779 4.159 1.00 0.31 O ATOM 213 CB SER A 17 13.757 11.406 5.422 1.00 0.39 C ATOM 214 OG SER A 17 12.498 11.879 4.984 1.00 1.08 O ATOM 0 H SER A 17 13.810 11.106 2.982 1.00 0.35 H new ATOM 0 HA SER A 17 15.028 9.690 5.186 1.00 0.37 H new ATOM 0 HB2 SER A 17 13.751 11.295 6.506 1.00 0.39 H new ATOM 0 HB3 SER A 17 14.529 12.137 5.181 1.00 0.39 H new ATOM 0 HG SER A 17 12.302 12.736 5.416 1.00 1.08 H new ATOM 220 N PRO A 18 12.931 8.484 6.251 1.00 0.36 N ATOM 221 CA PRO A 18 11.911 7.489 6.599 1.00 0.35 C ATOM 222 C PRO A 18 10.493 7.967 6.273 1.00 0.31 C ATOM 223 O PRO A 18 9.704 7.223 5.689 1.00 0.29 O ATOM 224 CB PRO A 18 12.110 7.305 8.103 1.00 0.39 C ATOM 225 CG PRO A 18 13.553 7.610 8.306 1.00 0.42 C ATOM 226 CD PRO A 18 13.849 8.744 7.376 1.00 0.45 C ATOM 0 HA PRO A 18 12.018 6.564 6.032 1.00 0.35 H new ATOM 0 HB2 PRO A 18 11.473 7.979 8.677 1.00 0.39 H new ATOM 0 HB3 PRO A 18 11.867 6.290 8.418 1.00 0.39 H new ATOM 0 HG2 PRO A 18 13.755 7.886 9.341 1.00 0.42 H new ATOM 0 HG3 PRO A 18 14.174 6.743 8.080 1.00 0.42 H new ATOM 0 HD2 PRO A 18 13.657 9.711 7.841 1.00 0.45 H new ATOM 0 HD3 PRO A 18 14.891 8.745 7.057 1.00 0.45 H new ATOM 234 N GLN A 19 10.200 9.218 6.612 1.00 0.32 N ATOM 235 CA GLN A 19 8.890 9.809 6.334 1.00 0.32 C ATOM 236 C GLN A 19 8.676 9.987 4.832 1.00 0.29 C ATOM 237 O GLN A 19 7.573 9.787 4.333 1.00 0.28 O ATOM 238 CB GLN A 19 8.755 11.159 7.027 1.00 0.36 C ATOM 239 CG GLN A 19 7.378 11.769 6.874 1.00 0.71 C ATOM 240 CD GLN A 19 7.377 13.267 7.094 1.00 1.28 C ATOM 241 OE1 GLN A 19 7.190 13.745 8.213 1.00 2.00 O ATOM 242 NE2 GLN A 19 7.580 14.021 6.026 1.00 2.04 N ATOM 0 H GLN A 19 10.852 9.846 7.081 1.00 0.32 H new ATOM 0 HA GLN A 19 8.132 9.127 6.719 1.00 0.32 H new ATOM 0 HB2 GLN A 19 8.978 11.040 8.087 1.00 0.36 H new ATOM 0 HB3 GLN A 19 9.497 11.846 6.620 1.00 0.36 H new ATOM 0 HG2 GLN A 19 6.997 11.552 5.876 1.00 0.71 H new ATOM 0 HG3 GLN A 19 6.696 11.301 7.584 1.00 0.71 H new ATOM 0 HE21 GLN A 19 7.731 13.586 5.116 1.00 2.04 H new ATOM 0 HE22 GLN A 19 7.585 15.037 6.113 1.00 2.04 H new ATOM 251 N GLN A 20 9.731 10.332 4.105 1.00 0.28 N ATOM 252 CA GLN A 20 9.623 10.533 2.663 1.00 0.27 C ATOM 253 C GLN A 20 9.428 9.192 1.981 1.00 0.24 C ATOM 254 O GLN A 20 8.613 9.046 1.070 1.00 0.23 O ATOM 255 CB GLN A 20 10.881 11.199 2.112 1.00 0.30 C ATOM 256 CG GLN A 20 11.038 12.651 2.514 1.00 0.37 C ATOM 257 CD GLN A 20 9.896 13.524 2.045 1.00 0.95 C ATOM 258 OE1 GLN A 20 9.316 13.300 0.982 1.00 1.78 O ATOM 259 NE2 GLN A 20 9.552 14.514 2.848 1.00 1.68 N ATOM 0 H GLN A 20 10.666 10.478 4.486 1.00 0.28 H new ATOM 0 HA GLN A 20 8.770 11.182 2.467 1.00 0.27 H new ATOM 0 HB2 GLN A 20 11.753 10.642 2.454 1.00 0.30 H new ATOM 0 HB3 GLN A 20 10.867 11.134 1.024 1.00 0.30 H new ATOM 0 HG2 GLN A 20 11.114 12.715 3.599 1.00 0.37 H new ATOM 0 HG3 GLN A 20 11.973 13.036 2.106 1.00 0.37 H new ATOM 0 HE21 GLN A 20 10.060 14.664 3.720 1.00 1.68 H new ATOM 0 HE22 GLN A 20 8.778 15.129 2.597 1.00 1.68 H new ATOM 268 N GLN A 21 10.204 8.222 2.436 1.00 0.24 N ATOM 269 CA GLN A 21 10.069 6.844 2.005 1.00 0.22 C ATOM 270 C GLN A 21 8.663 6.352 2.278 1.00 0.21 C ATOM 271 O GLN A 21 8.062 5.636 1.477 1.00 0.25 O ATOM 272 CB GLN A 21 11.081 5.985 2.758 1.00 0.25 C ATOM 273 CG GLN A 21 12.518 6.300 2.394 1.00 0.28 C ATOM 274 CD GLN A 21 13.512 5.492 3.200 1.00 0.35 C ATOM 275 OE1 GLN A 21 13.896 4.395 2.806 1.00 1.22 O ATOM 276 NE2 GLN A 21 13.944 6.031 4.327 1.00 1.06 N ATOM 0 H GLN A 21 10.948 8.371 3.118 1.00 0.24 H new ATOM 0 HA GLN A 21 10.259 6.775 0.934 1.00 0.22 H new ATOM 0 HB2 GLN A 21 10.944 6.129 3.830 1.00 0.25 H new ATOM 0 HB3 GLN A 21 10.882 4.934 2.550 1.00 0.25 H new ATOM 0 HG2 GLN A 21 12.672 6.104 1.333 1.00 0.28 H new ATOM 0 HG3 GLN A 21 12.705 7.362 2.553 1.00 0.28 H new ATOM 0 HE21 GLN A 21 13.600 6.946 4.620 1.00 1.06 H new ATOM 0 HE22 GLN A 21 14.621 5.532 4.904 1.00 1.06 H new ATOM 285 N GLN A 22 8.156 6.754 3.426 1.00 0.21 N ATOM 286 CA GLN A 22 6.795 6.469 3.817 1.00 0.21 C ATOM 287 C GLN A 22 5.826 7.079 2.816 1.00 0.18 C ATOM 288 O GLN A 22 4.957 6.394 2.305 1.00 0.17 O ATOM 289 CB GLN A 22 6.560 7.026 5.215 1.00 0.27 C ATOM 290 CG GLN A 22 5.183 6.803 5.771 1.00 0.46 C ATOM 291 CD GLN A 22 4.830 7.796 6.862 1.00 0.92 C ATOM 292 OE1 GLN A 22 5.704 8.284 7.578 1.00 1.56 O ATOM 293 NE2 GLN A 22 3.549 8.097 7.000 1.00 1.60 N ATOM 0 H GLN A 22 8.682 7.291 4.116 1.00 0.21 H new ATOM 0 HA GLN A 22 6.627 5.392 3.829 1.00 0.21 H new ATOM 0 HB2 GLN A 22 7.285 6.577 5.894 1.00 0.27 H new ATOM 0 HB3 GLN A 22 6.759 8.098 5.200 1.00 0.27 H new ATOM 0 HG2 GLN A 22 4.453 6.878 4.965 1.00 0.46 H new ATOM 0 HG3 GLN A 22 5.115 5.791 6.169 1.00 0.46 H new ATOM 0 HE21 GLN A 22 2.856 7.670 6.386 1.00 1.60 H new ATOM 0 HE22 GLN A 22 3.255 8.756 7.721 1.00 1.60 H new ATOM 302 N GLN A 23 6.024 8.361 2.521 1.00 0.19 N ATOM 303 CA GLN A 23 5.173 9.115 1.599 1.00 0.18 C ATOM 304 C GLN A 23 5.001 8.453 0.247 1.00 0.15 C ATOM 305 O GLN A 23 3.932 8.528 -0.342 1.00 0.15 O ATOM 306 CB GLN A 23 5.755 10.480 1.379 1.00 0.20 C ATOM 307 CG GLN A 23 5.692 11.348 2.614 1.00 0.24 C ATOM 308 CD GLN A 23 6.316 12.714 2.422 1.00 0.30 C ATOM 309 OE1 GLN A 23 6.826 13.312 3.368 1.00 1.05 O ATOM 310 NE2 GLN A 23 6.277 13.222 1.198 1.00 1.24 N ATOM 0 H GLN A 23 6.785 8.912 2.917 1.00 0.19 H new ATOM 0 HA GLN A 23 4.191 9.163 2.069 1.00 0.18 H new ATOM 0 HB2 GLN A 23 6.793 10.381 1.062 1.00 0.20 H new ATOM 0 HB3 GLN A 23 5.220 10.972 0.567 1.00 0.20 H new ATOM 0 HG2 GLN A 23 4.650 11.471 2.910 1.00 0.24 H new ATOM 0 HG3 GLN A 23 6.198 10.838 3.434 1.00 0.24 H new ATOM 0 HE21 GLN A 23 5.845 12.694 0.440 1.00 1.24 H new ATOM 0 HE22 GLN A 23 6.679 14.141 1.014 1.00 1.24 H new ATOM 319 N THR A 24 6.056 7.848 -0.266 1.00 0.15 N ATOM 320 CA THR A 24 5.979 7.154 -1.536 1.00 0.14 C ATOM 321 C THR A 24 4.927 6.055 -1.480 1.00 0.12 C ATOM 322 O THR A 24 4.092 5.938 -2.374 1.00 0.12 O ATOM 323 CB THR A 24 7.349 6.577 -1.902 1.00 0.16 C ATOM 324 OG1 THR A 24 8.169 7.600 -2.481 1.00 0.19 O ATOM 325 CG2 THR A 24 7.215 5.402 -2.860 1.00 0.17 C ATOM 0 H THR A 24 6.974 7.823 0.177 1.00 0.15 H new ATOM 0 HA THR A 24 5.684 7.864 -2.308 1.00 0.14 H new ATOM 0 HB THR A 24 7.821 6.211 -0.990 1.00 0.16 H new ATOM 0 HG1 THR A 24 9.087 7.511 -2.149 1.00 0.19 H new ATOM 0 HG21 THR A 24 8.205 5.014 -3.101 1.00 0.17 H new ATOM 0 HG22 THR A 24 6.622 4.617 -2.392 1.00 0.17 H new ATOM 0 HG23 THR A 24 6.722 5.732 -3.774 1.00 0.17 H new ATOM 333 N LEU A 25 4.932 5.288 -0.404 1.00 0.12 N ATOM 334 CA LEU A 25 3.905 4.276 -0.200 1.00 0.11 C ATOM 335 C LEU A 25 2.617 4.967 0.184 1.00 0.11 C ATOM 336 O LEU A 25 1.550 4.646 -0.304 1.00 0.10 O ATOM 337 CB LEU A 25 4.309 3.342 0.915 1.00 0.12 C ATOM 338 CG LEU A 25 5.610 2.594 0.707 1.00 0.14 C ATOM 339 CD1 LEU A 25 6.214 2.269 2.055 1.00 0.32 C ATOM 340 CD2 LEU A 25 5.366 1.329 -0.095 1.00 0.39 C ATOM 0 H LEU A 25 5.629 5.344 0.338 1.00 0.12 H new ATOM 0 HA LEU A 25 3.775 3.702 -1.117 1.00 0.11 H new ATOM 0 HB2 LEU A 25 4.386 3.918 1.837 1.00 0.12 H new ATOM 0 HB3 LEU A 25 3.512 2.613 1.060 1.00 0.12 H new ATOM 0 HG LEU A 25 6.306 3.217 0.146 1.00 0.14 H new ATOM 0 HD11 LEU A 25 7.151 1.730 1.914 1.00 0.32 H new ATOM 0 HD12 LEU A 25 6.405 3.193 2.600 1.00 0.32 H new ATOM 0 HD13 LEU A 25 5.521 1.649 2.624 1.00 0.32 H new ATOM 0 HD21 LEU A 25 6.309 0.801 -0.237 1.00 0.39 H new ATOM 0 HD22 LEU A 25 4.668 0.687 0.442 1.00 0.39 H new ATOM 0 HD23 LEU A 25 4.946 1.589 -1.066 1.00 0.39 H new ATOM 352 N ALA A 26 2.754 5.963 1.033 1.00 0.12 N ATOM 353 CA ALA A 26 1.634 6.756 1.515 1.00 0.13 C ATOM 354 C ALA A 26 1.037 7.620 0.403 1.00 0.13 C ATOM 355 O ALA A 26 0.184 8.477 0.634 1.00 0.16 O ATOM 356 CB ALA A 26 2.113 7.609 2.681 1.00 0.16 C ATOM 0 H ALA A 26 3.655 6.251 1.415 1.00 0.12 H new ATOM 0 HA ALA A 26 0.838 6.091 1.850 1.00 0.13 H new ATOM 0 HB1 ALA A 26 1.285 8.211 3.056 1.00 0.16 H new ATOM 0 HB2 ALA A 26 2.481 6.963 3.478 1.00 0.16 H new ATOM 0 HB3 ALA A 26 2.916 8.265 2.346 1.00 0.16 H new ATOM 362 N THR A 27 1.510 7.370 -0.800 1.00 0.12 N ATOM 363 CA THR A 27 1.003 7.982 -1.997 1.00 0.12 C ATOM 364 C THR A 27 0.583 6.886 -2.963 1.00 0.11 C ATOM 365 O THR A 27 -0.517 6.896 -3.487 1.00 0.11 O ATOM 366 CB THR A 27 2.085 8.871 -2.641 1.00 0.15 C ATOM 367 OG1 THR A 27 2.153 10.130 -1.961 1.00 0.20 O ATOM 368 CG2 THR A 27 1.837 9.079 -4.125 1.00 0.15 C ATOM 0 H THR A 27 2.276 6.719 -0.970 1.00 0.12 H new ATOM 0 HA THR A 27 0.146 8.610 -1.755 1.00 0.12 H new ATOM 0 HB THR A 27 3.041 8.358 -2.542 1.00 0.15 H new ATOM 0 HG1 THR A 27 2.755 10.054 -1.192 1.00 0.20 H new ATOM 0 HG21 THR A 27 2.622 9.711 -4.540 1.00 0.15 H new ATOM 0 HG22 THR A 27 1.841 8.115 -4.633 1.00 0.15 H new ATOM 0 HG23 THR A 27 0.870 9.561 -4.268 1.00 0.15 H new ATOM 376 N LEU A 28 1.474 5.922 -3.136 1.00 0.09 N ATOM 377 CA LEU A 28 1.270 4.797 -4.016 1.00 0.09 C ATOM 378 C LEU A 28 0.183 3.878 -3.509 1.00 0.08 C ATOM 379 O LEU A 28 -0.654 3.413 -4.265 1.00 0.08 O ATOM 380 CB LEU A 28 2.557 4.008 -4.129 1.00 0.10 C ATOM 381 CG LEU A 28 2.348 2.550 -4.480 1.00 0.11 C ATOM 382 CD1 LEU A 28 2.399 2.338 -5.977 1.00 0.42 C ATOM 383 CD2 LEU A 28 3.333 1.674 -3.737 1.00 0.49 C ATOM 0 H LEU A 28 2.374 5.906 -2.657 1.00 0.09 H new ATOM 0 HA LEU A 28 0.966 5.187 -4.987 1.00 0.09 H new ATOM 0 HB2 LEU A 28 3.190 4.468 -4.888 1.00 0.10 H new ATOM 0 HB3 LEU A 28 3.096 4.071 -3.184 1.00 0.10 H new ATOM 0 HG LEU A 28 1.350 2.254 -4.156 1.00 0.11 H new ATOM 0 HD11 LEU A 28 2.246 1.282 -6.200 1.00 0.42 H new ATOM 0 HD12 LEU A 28 1.616 2.927 -6.455 1.00 0.42 H new ATOM 0 HD13 LEU A 28 3.372 2.652 -6.356 1.00 0.42 H new ATOM 0 HD21 LEU A 28 3.165 0.631 -4.004 1.00 0.49 H new ATOM 0 HD22 LEU A 28 4.350 1.959 -4.008 1.00 0.49 H new ATOM 0 HD23 LEU A 28 3.195 1.801 -2.663 1.00 0.49 H new ATOM 395 N VAL A 29 0.226 3.605 -2.230 1.00 0.08 N ATOM 396 CA VAL A 29 -0.727 2.717 -1.598 1.00 0.09 C ATOM 397 C VAL A 29 -2.114 3.321 -1.659 1.00 0.08 C ATOM 398 O VAL A 29 -3.124 2.630 -1.813 1.00 0.09 O ATOM 399 CB VAL A 29 -0.334 2.452 -0.138 1.00 0.10 C ATOM 400 CG1 VAL A 29 -1.468 1.777 0.618 1.00 0.11 C ATOM 401 CG2 VAL A 29 0.927 1.607 -0.096 1.00 0.10 C ATOM 0 H VAL A 29 0.923 3.991 -1.593 1.00 0.08 H new ATOM 0 HA VAL A 29 -0.725 1.768 -2.134 1.00 0.09 H new ATOM 0 HB VAL A 29 -0.137 3.405 0.353 1.00 0.10 H new ATOM 0 HG11 VAL A 29 -1.163 1.601 1.650 1.00 0.11 H new ATOM 0 HG12 VAL A 29 -2.348 2.420 0.604 1.00 0.11 H new ATOM 0 HG13 VAL A 29 -1.707 0.826 0.143 1.00 0.11 H new ATOM 0 HG21 VAL A 29 1.205 1.420 0.941 1.00 0.10 H new ATOM 0 HG22 VAL A 29 0.746 0.658 -0.600 1.00 0.10 H new ATOM 0 HG23 VAL A 29 1.737 2.136 -0.599 1.00 0.10 H new ATOM 411 N ALA A 30 -2.144 4.627 -1.567 1.00 0.08 N ATOM 412 CA ALA A 30 -3.376 5.361 -1.661 1.00 0.08 C ATOM 413 C ALA A 30 -3.760 5.550 -3.108 1.00 0.09 C ATOM 414 O ALA A 30 -4.923 5.661 -3.433 1.00 0.10 O ATOM 415 CB ALA A 30 -3.223 6.690 -0.986 1.00 0.08 C ATOM 0 H ALA A 30 -1.317 5.207 -1.425 1.00 0.08 H new ATOM 0 HA ALA A 30 -4.167 4.799 -1.164 1.00 0.08 H new ATOM 0 HB1 ALA A 30 -4.158 7.245 -1.059 1.00 0.08 H new ATOM 0 HB2 ALA A 30 -2.972 6.538 0.064 1.00 0.08 H new ATOM 0 HB3 ALA A 30 -2.427 7.255 -1.471 1.00 0.08 H new ATOM 421 N ALA A 31 -2.757 5.614 -3.956 1.00 0.08 N ATOM 422 CA ALA A 31 -2.951 5.641 -5.393 1.00 0.09 C ATOM 423 C ALA A 31 -3.561 4.324 -5.817 1.00 0.09 C ATOM 424 O ALA A 31 -4.444 4.258 -6.670 1.00 0.11 O ATOM 425 CB ALA A 31 -1.611 5.873 -6.076 1.00 0.10 C ATOM 0 H ALA A 31 -1.779 5.649 -3.669 1.00 0.08 H new ATOM 0 HA ALA A 31 -3.622 6.451 -5.680 1.00 0.09 H new ATOM 0 HB1 ALA A 31 -1.752 5.894 -7.157 1.00 0.10 H new ATOM 0 HB2 ALA A 31 -1.194 6.825 -5.746 1.00 0.10 H new ATOM 0 HB3 ALA A 31 -0.925 5.067 -5.815 1.00 0.10 H new ATOM 431 N ALA A 32 -3.065 3.279 -5.186 1.00 0.09 N ATOM 432 CA ALA A 32 -3.604 1.945 -5.312 1.00 0.10 C ATOM 433 C ALA A 32 -5.067 1.910 -4.894 1.00 0.09 C ATOM 434 O ALA A 32 -5.910 1.366 -5.608 1.00 0.10 O ATOM 435 CB ALA A 32 -2.781 1.012 -4.448 1.00 0.12 C ATOM 0 H ALA A 32 -2.261 3.337 -4.560 1.00 0.09 H new ATOM 0 HA ALA A 32 -3.554 1.627 -6.353 1.00 0.10 H new ATOM 0 HB1 ALA A 32 -3.174 -0.001 -4.530 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -1.743 1.027 -4.782 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.833 1.338 -3.409 1.00 0.12 H new ATOM 441 N THR A 33 -5.378 2.502 -3.746 1.00 0.08 N ATOM 442 CA THR A 33 -6.754 2.524 -3.285 1.00 0.07 C ATOM 443 C THR A 33 -7.558 3.581 -4.047 1.00 0.08 C ATOM 444 O THR A 33 -8.783 3.528 -4.117 1.00 0.10 O ATOM 445 CB THR A 33 -6.837 2.787 -1.773 1.00 0.08 C ATOM 446 OG1 THR A 33 -5.875 1.978 -1.082 1.00 0.09 O ATOM 447 CG2 THR A 33 -8.232 2.473 -1.253 1.00 0.09 C ATOM 0 H THR A 33 -4.708 2.964 -3.131 1.00 0.08 H new ATOM 0 HA THR A 33 -7.183 1.541 -3.481 1.00 0.07 H new ATOM 0 HB THR A 33 -6.622 3.840 -1.594 1.00 0.08 H new ATOM 0 HG1 THR A 33 -4.973 2.316 -1.263 1.00 0.09 H new ATOM 0 HG21 THR A 33 -8.272 2.665 -0.181 1.00 0.09 H new ATOM 0 HG22 THR A 33 -8.961 3.104 -1.762 1.00 0.09 H new ATOM 0 HG23 THR A 33 -8.464 1.425 -1.443 1.00 0.09 H new ATOM 455 N ALA A 34 -6.866 4.541 -4.628 1.00 0.08 N ATOM 456 CA ALA A 34 -7.506 5.497 -5.504 1.00 0.09 C ATOM 457 C ALA A 34 -8.018 4.759 -6.730 1.00 0.11 C ATOM 458 O ALA A 34 -9.098 5.036 -7.237 1.00 0.20 O ATOM 459 CB ALA A 34 -6.540 6.619 -5.875 1.00 0.10 C ATOM 0 H ALA A 34 -5.862 4.678 -4.508 1.00 0.08 H new ATOM 0 HA ALA A 34 -8.349 5.967 -4.997 1.00 0.09 H new ATOM 0 HB1 ALA A 34 -7.041 7.327 -6.535 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -6.215 7.133 -4.970 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -5.673 6.199 -6.385 1.00 0.10 H new ATOM 465 N THR A 35 -7.253 3.762 -7.142 1.00 0.11 N ATOM 466 CA THR A 35 -7.604 2.912 -8.247 1.00 0.12 C ATOM 467 C THR A 35 -8.832 2.055 -7.914 1.00 0.11 C ATOM 468 O THR A 35 -9.830 2.074 -8.640 1.00 0.14 O ATOM 469 CB THR A 35 -6.409 2.004 -8.584 1.00 0.16 C ATOM 470 OG1 THR A 35 -5.518 2.658 -9.500 1.00 0.22 O ATOM 471 CG2 THR A 35 -6.881 0.680 -9.136 1.00 0.17 C ATOM 0 H THR A 35 -6.361 3.524 -6.707 1.00 0.11 H new ATOM 0 HA THR A 35 -7.851 3.537 -9.106 1.00 0.12 H new ATOM 0 HB THR A 35 -5.859 1.806 -7.664 1.00 0.16 H new ATOM 0 HG1 THR A 35 -4.763 2.066 -9.701 1.00 0.22 H new ATOM 0 HG21 THR A 35 -6.019 0.054 -9.367 1.00 0.17 H new ATOM 0 HG22 THR A 35 -7.505 0.179 -8.396 1.00 0.17 H new ATOM 0 HG23 THR A 35 -7.460 0.850 -10.044 1.00 0.17 H new ATOM 479 N VAL A 36 -8.757 1.337 -6.792 1.00 0.10 N ATOM 480 CA VAL A 36 -9.775 0.355 -6.425 1.00 0.11 C ATOM 481 C VAL A 36 -11.169 0.967 -6.329 1.00 0.13 C ATOM 482 O VAL A 36 -12.169 0.304 -6.606 1.00 0.17 O ATOM 483 CB VAL A 36 -9.441 -0.340 -5.088 1.00 0.09 C ATOM 484 CG1 VAL A 36 -8.247 -1.260 -5.213 1.00 0.18 C ATOM 485 CG2 VAL A 36 -9.224 0.660 -3.993 1.00 0.16 C ATOM 0 H VAL A 36 -7.995 1.419 -6.118 1.00 0.10 H new ATOM 0 HA VAL A 36 -9.774 -0.382 -7.228 1.00 0.11 H new ATOM 0 HB VAL A 36 -10.304 -0.952 -4.826 1.00 0.09 H new ATOM 0 HG11 VAL A 36 -8.046 -1.729 -4.250 1.00 0.18 H new ATOM 0 HG12 VAL A 36 -8.458 -2.031 -5.955 1.00 0.18 H new ATOM 0 HG13 VAL A 36 -7.375 -0.685 -5.525 1.00 0.18 H new ATOM 0 HG21 VAL A 36 -8.991 0.138 -3.065 1.00 0.16 H new ATOM 0 HG22 VAL A 36 -8.395 1.316 -4.259 1.00 0.16 H new ATOM 0 HG23 VAL A 36 -10.128 1.254 -3.858 1.00 0.16 H new ATOM 495 N LEU A 37 -11.240 2.233 -5.951 1.00 0.12 N ATOM 496 CA LEU A 37 -12.525 2.881 -5.723 1.00 0.16 C ATOM 497 C LEU A 37 -12.979 3.701 -6.927 1.00 0.25 C ATOM 498 O LEU A 37 -13.935 4.468 -6.834 1.00 0.65 O ATOM 499 CB LEU A 37 -12.419 3.784 -4.504 1.00 0.15 C ATOM 500 CG LEU A 37 -11.712 3.152 -3.317 1.00 0.13 C ATOM 501 CD1 LEU A 37 -11.436 4.197 -2.263 1.00 0.18 C ATOM 502 CD2 LEU A 37 -12.536 2.010 -2.756 1.00 0.15 C ATOM 0 H LEU A 37 -10.429 2.831 -5.796 1.00 0.12 H new ATOM 0 HA LEU A 37 -13.268 2.101 -5.559 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -11.889 4.694 -4.785 1.00 0.15 H new ATOM 0 HB3 LEU A 37 -13.422 4.081 -4.198 1.00 0.15 H new ATOM 0 HG LEU A 37 -10.758 2.742 -3.648 1.00 0.13 H new ATOM 0 HD11 LEU A 37 -10.929 3.735 -1.416 1.00 0.18 H new ATOM 0 HD12 LEU A 37 -10.802 4.978 -2.683 1.00 0.18 H new ATOM 0 HD13 LEU A 37 -12.377 4.634 -1.928 1.00 0.18 H new ATOM 0 HD21 LEU A 37 -12.015 1.568 -1.906 1.00 0.15 H new ATOM 0 HD22 LEU A 37 -13.506 2.386 -2.431 1.00 0.15 H new ATOM 0 HD23 LEU A 37 -12.680 1.253 -3.527 1.00 0.15 H new ATOM 514 N GLY A 38 -12.289 3.556 -8.048 1.00 0.43 N ATOM 515 CA GLY A 38 -12.678 4.277 -9.245 1.00 0.49 C ATOM 516 C GLY A 38 -12.315 5.749 -9.191 1.00 0.51 C ATOM 517 O GLY A 38 -12.948 6.578 -9.842 1.00 0.62 O ATOM 0 H GLY A 38 -11.471 2.956 -8.152 1.00 0.43 H new ATOM 0 HA2 GLY A 38 -12.197 3.821 -10.110 1.00 0.49 H new ATOM 0 HA3 GLY A 38 -13.754 4.178 -9.389 1.00 0.49 H new ATOM 521 N HIS A 39 -11.303 6.074 -8.406 1.00 0.57 N ATOM 522 CA HIS A 39 -10.797 7.436 -8.322 1.00 0.68 C ATOM 523 C HIS A 39 -9.465 7.516 -9.054 1.00 0.82 C ATOM 524 O HIS A 39 -9.060 6.561 -9.719 1.00 1.81 O ATOM 525 CB HIS A 39 -10.615 7.867 -6.859 1.00 0.65 C ATOM 526 CG HIS A 39 -11.896 8.114 -6.117 1.00 0.73 C ATOM 527 ND1 HIS A 39 -12.949 7.300 -5.864 1.00 1.09 N flip ATOM 528 CD2 HIS A 39 -12.193 9.315 -5.508 1.00 0.67 C flip ATOM 529 CE1 HIS A 39 -13.847 8.016 -5.118 1.00 1.15 C flip ATOM 530 NE2 HIS A 39 -13.369 9.228 -4.916 1.00 0.88 N flip ATOM 0 H HIS A 39 -10.810 5.407 -7.812 1.00 0.57 H new ATOM 0 HA HIS A 39 -11.519 8.109 -8.784 1.00 0.68 H new ATOM 0 HB2 HIS A 39 -10.049 7.097 -6.335 1.00 0.65 H new ATOM 0 HB3 HIS A 39 -10.015 8.776 -6.834 1.00 0.65 H new ATOM 0 HD1 HIS A 39 -13.054 6.333 -6.172 1.00 1.09 H new ATOM 0 HD2 HIS A 39 -11.561 10.191 -5.515 1.00 0.67 H new ATOM 0 HE1 HIS A 39 -14.794 7.647 -4.754 1.00 1.15 H new ATOM 539 N HIS A 40 -8.788 8.641 -8.936 1.00 0.53 N ATOM 540 CA HIS A 40 -7.487 8.800 -9.558 1.00 0.48 C ATOM 541 C HIS A 40 -6.469 9.291 -8.538 1.00 0.45 C ATOM 542 O HIS A 40 -5.379 8.732 -8.429 1.00 0.59 O ATOM 543 CB HIS A 40 -7.561 9.773 -10.738 1.00 0.58 C ATOM 544 CG HIS A 40 -6.343 9.761 -11.622 1.00 0.73 C ATOM 545 ND1 HIS A 40 -5.107 9.231 -11.437 1.00 1.35 N flip ATOM 546 CD2 HIS A 40 -6.314 10.350 -12.867 1.00 0.62 C flip ATOM 547 CE1 HIS A 40 -4.371 9.508 -12.557 1.00 1.46 C flip ATOM 548 NE2 HIS A 40 -5.119 10.183 -13.406 1.00 0.94 N flip ATOM 0 H HIS A 40 -9.115 9.456 -8.417 1.00 0.53 H new ATOM 0 HA HIS A 40 -7.170 7.827 -9.934 1.00 0.48 H new ATOM 0 HB2 HIS A 40 -8.436 9.531 -11.341 1.00 0.58 H new ATOM 0 HB3 HIS A 40 -7.708 10.782 -10.354 1.00 0.58 H new ATOM 0 HD1 HIS A 40 -4.786 8.720 -10.615 1.00 1.35 H new ATOM 0 HD2 HIS A 40 -7.140 10.868 -13.331 1.00 0.62 H new ATOM 0 HE1 HIS A 40 -3.343 9.220 -12.719 1.00 1.46 H new ATOM 557 N THR A 41 -6.815 10.326 -7.786 1.00 0.46 N ATOM 558 CA THR A 41 -5.857 10.899 -6.864 1.00 0.55 C ATOM 559 C THR A 41 -5.952 10.273 -5.474 1.00 0.37 C ATOM 560 O THR A 41 -7.034 9.971 -4.961 1.00 0.45 O ATOM 561 CB THR A 41 -5.975 12.432 -6.747 1.00 0.92 C ATOM 562 OG1 THR A 41 -4.898 12.954 -5.961 1.00 1.97 O ATOM 563 CG2 THR A 41 -7.284 12.838 -6.108 1.00 0.56 C ATOM 0 H THR A 41 -7.731 10.775 -7.797 1.00 0.46 H new ATOM 0 HA THR A 41 -4.880 10.669 -7.290 1.00 0.55 H new ATOM 0 HB THR A 41 -5.933 12.839 -7.757 1.00 0.92 H new ATOM 0 HG1 THR A 41 -4.983 13.928 -5.895 1.00 1.97 H new ATOM 0 HG21 THR A 41 -7.334 13.925 -6.041 1.00 0.56 H new ATOM 0 HG22 THR A 41 -8.113 12.473 -6.714 1.00 0.56 H new ATOM 0 HG23 THR A 41 -7.349 12.409 -5.108 1.00 0.56 H new ATOM 571 N PRO A 42 -4.778 10.071 -4.875 1.00 0.24 N ATOM 572 CA PRO A 42 -4.613 9.597 -3.499 1.00 0.27 C ATOM 573 C PRO A 42 -5.064 10.633 -2.481 1.00 0.40 C ATOM 574 O PRO A 42 -5.208 10.333 -1.299 1.00 0.50 O ATOM 575 CB PRO A 42 -3.102 9.381 -3.355 1.00 0.31 C ATOM 576 CG PRO A 42 -2.545 9.468 -4.731 1.00 0.29 C ATOM 577 CD PRO A 42 -3.499 10.299 -5.532 1.00 0.27 C ATOM 0 HA PRO A 42 -5.209 8.703 -3.317 1.00 0.27 H new ATOM 0 HB2 PRO A 42 -2.660 10.137 -2.706 1.00 0.31 H new ATOM 0 HB3 PRO A 42 -2.887 8.411 -2.907 1.00 0.31 H new ATOM 0 HG2 PRO A 42 -1.554 9.921 -4.719 1.00 0.29 H new ATOM 0 HG3 PRO A 42 -2.436 8.475 -5.168 1.00 0.29 H new ATOM 0 HD2 PRO A 42 -3.223 11.353 -5.519 1.00 0.27 H new ATOM 0 HD3 PRO A 42 -3.523 9.989 -6.577 1.00 0.27 H new ATOM 585 N GLU A 43 -5.259 11.859 -2.944 1.00 0.43 N ATOM 586 CA GLU A 43 -5.691 12.949 -2.072 1.00 0.55 C ATOM 587 C GLU A 43 -7.091 12.702 -1.517 1.00 0.52 C ATOM 588 O GLU A 43 -7.436 13.193 -0.442 1.00 0.61 O ATOM 589 CB GLU A 43 -5.643 14.279 -2.808 1.00 0.68 C ATOM 590 CG GLU A 43 -4.235 14.769 -3.038 1.00 0.69 C ATOM 591 CD GLU A 43 -4.191 16.108 -3.737 1.00 1.18 C ATOM 592 OE1 GLU A 43 -4.166 17.144 -3.045 1.00 1.38 O ATOM 593 OE2 GLU A 43 -4.184 16.133 -4.985 1.00 1.82 O ATOM 0 H GLU A 43 -5.126 12.127 -3.919 1.00 0.43 H new ATOM 0 HA GLU A 43 -4.999 12.988 -1.231 1.00 0.55 H new ATOM 0 HB2 GLU A 43 -6.148 14.176 -3.768 1.00 0.68 H new ATOM 0 HB3 GLU A 43 -6.194 15.026 -2.236 1.00 0.68 H new ATOM 0 HG2 GLU A 43 -3.721 14.847 -2.080 1.00 0.69 H new ATOM 0 HG3 GLU A 43 -3.692 14.035 -3.633 1.00 0.69 H new ATOM 600 N SER A 44 -7.891 11.946 -2.254 1.00 0.44 N ATOM 601 CA SER A 44 -9.215 11.557 -1.790 1.00 0.43 C ATOM 602 C SER A 44 -9.095 10.356 -0.856 1.00 0.35 C ATOM 603 O SER A 44 -9.985 10.069 -0.050 1.00 0.49 O ATOM 604 CB SER A 44 -10.109 11.224 -2.982 1.00 0.50 C ATOM 605 OG SER A 44 -11.423 10.874 -2.575 1.00 0.97 O ATOM 0 H SER A 44 -7.646 11.589 -3.178 1.00 0.44 H new ATOM 0 HA SER A 44 -9.667 12.385 -1.243 1.00 0.43 H new ATOM 0 HB2 SER A 44 -10.153 12.081 -3.654 1.00 0.50 H new ATOM 0 HB3 SER A 44 -9.671 10.400 -3.545 1.00 0.50 H new ATOM 0 HG SER A 44 -12.038 10.980 -3.330 1.00 0.97 H new ATOM 611 N ILE A 45 -7.967 9.678 -0.962 1.00 0.19 N ATOM 612 CA ILE A 45 -7.703 8.481 -0.188 1.00 0.13 C ATOM 613 C ILE A 45 -7.011 8.837 1.120 1.00 0.13 C ATOM 614 O ILE A 45 -5.784 8.771 1.227 1.00 0.19 O ATOM 615 CB ILE A 45 -6.815 7.506 -0.974 1.00 0.11 C ATOM 616 CG1 ILE A 45 -7.362 7.316 -2.388 1.00 0.12 C ATOM 617 CG2 ILE A 45 -6.710 6.169 -0.255 1.00 0.10 C ATOM 618 CD1 ILE A 45 -8.790 6.820 -2.446 1.00 0.11 C ATOM 0 H ILE A 45 -7.207 9.943 -1.589 1.00 0.19 H new ATOM 0 HA ILE A 45 -8.660 8.004 0.022 1.00 0.13 H new ATOM 0 HB ILE A 45 -5.813 7.931 -1.042 1.00 0.11 H new ATOM 0 HG12 ILE A 45 -7.299 8.266 -2.919 1.00 0.12 H new ATOM 0 HG13 ILE A 45 -6.724 6.610 -2.919 1.00 0.12 H new ATOM 0 HG21 ILE A 45 -6.076 5.495 -0.831 1.00 0.10 H new ATOM 0 HG22 ILE A 45 -6.275 6.320 0.733 1.00 0.10 H new ATOM 0 HG23 ILE A 45 -7.703 5.733 -0.151 1.00 0.10 H new ATOM 0 HD11 ILE A 45 -9.096 6.714 -3.487 1.00 0.11 H new ATOM 0 HD12 ILE A 45 -8.860 5.854 -1.947 1.00 0.11 H new ATOM 0 HD13 ILE A 45 -9.444 7.535 -1.947 1.00 0.11 H new ATOM 630 N SER A 46 -7.795 9.237 2.104 1.00 0.11 N ATOM 631 CA SER A 46 -7.254 9.570 3.409 1.00 0.12 C ATOM 632 C SER A 46 -6.664 8.317 4.048 1.00 0.11 C ATOM 633 O SER A 46 -7.209 7.223 3.895 1.00 0.12 O ATOM 634 CB SER A 46 -8.346 10.158 4.294 1.00 0.16 C ATOM 635 OG SER A 46 -9.156 11.072 3.570 1.00 1.18 O ATOM 0 H SER A 46 -8.807 9.339 2.025 1.00 0.11 H new ATOM 0 HA SER A 46 -6.467 10.315 3.296 1.00 0.12 H new ATOM 0 HB2 SER A 46 -8.966 9.355 4.693 1.00 0.16 H new ATOM 0 HB3 SER A 46 -7.894 10.665 5.146 1.00 0.16 H new ATOM 0 HG SER A 46 -9.850 11.433 4.161 1.00 1.18 H new ATOM 641 N PRO A 47 -5.581 8.459 4.822 1.00 0.12 N ATOM 642 CA PRO A 47 -4.805 7.330 5.306 1.00 0.12 C ATOM 643 C PRO A 47 -5.363 6.820 6.604 1.00 0.10 C ATOM 644 O PRO A 47 -4.929 5.802 7.138 1.00 0.11 O ATOM 645 CB PRO A 47 -3.437 7.956 5.523 1.00 0.15 C ATOM 646 CG PRO A 47 -3.741 9.344 5.986 1.00 0.17 C ATOM 647 CD PRO A 47 -5.079 9.721 5.386 1.00 0.16 C ATOM 0 HA PRO A 47 -4.799 6.476 4.629 1.00 0.12 H new ATOM 0 HB2 PRO A 47 -2.860 7.405 6.266 1.00 0.15 H new ATOM 0 HB3 PRO A 47 -2.851 7.962 4.604 1.00 0.15 H new ATOM 0 HG2 PRO A 47 -3.779 9.389 7.074 1.00 0.17 H new ATOM 0 HG3 PRO A 47 -2.964 10.038 5.665 1.00 0.17 H new ATOM 0 HD2 PRO A 47 -5.757 10.119 6.141 1.00 0.16 H new ATOM 0 HD3 PRO A 47 -4.971 10.487 4.618 1.00 0.16 H new ATOM 655 N ALA A 48 -6.355 7.535 7.078 1.00 0.12 N ATOM 656 CA ALA A 48 -6.880 7.317 8.385 1.00 0.13 C ATOM 657 C ALA A 48 -8.382 7.067 8.339 1.00 0.13 C ATOM 658 O ALA A 48 -9.028 6.885 9.368 1.00 0.17 O ATOM 659 CB ALA A 48 -6.521 8.509 9.239 1.00 0.18 C ATOM 0 H ALA A 48 -6.815 8.283 6.560 1.00 0.12 H new ATOM 0 HA ALA A 48 -6.443 6.421 8.824 1.00 0.13 H new ATOM 0 HB1 ALA A 48 -6.912 8.366 10.246 1.00 0.18 H new ATOM 0 HB2 ALA A 48 -5.437 8.612 9.282 1.00 0.18 H new ATOM 0 HB3 ALA A 48 -6.954 9.411 8.806 1.00 0.18 H new ATOM 665 N THR A 49 -8.929 7.055 7.128 1.00 0.12 N ATOM 666 CA THR A 49 -10.328 6.746 6.915 1.00 0.12 C ATOM 667 C THR A 49 -10.607 5.271 7.188 1.00 0.10 C ATOM 668 O THR A 49 -11.560 4.939 7.896 1.00 0.10 O ATOM 669 CB THR A 49 -10.725 7.076 5.464 1.00 0.14 C ATOM 670 OG1 THR A 49 -10.830 8.493 5.280 1.00 0.20 O ATOM 671 CG2 THR A 49 -12.023 6.401 5.088 1.00 0.13 C ATOM 0 H THR A 49 -8.412 7.259 6.273 1.00 0.12 H new ATOM 0 HA THR A 49 -10.917 7.350 7.605 1.00 0.12 H new ATOM 0 HB THR A 49 -9.942 6.695 4.808 1.00 0.14 H new ATOM 0 HG1 THR A 49 -11.081 8.685 4.352 1.00 0.20 H new ATOM 0 HG21 THR A 49 -12.279 6.652 4.058 1.00 0.13 H new ATOM 0 HG22 THR A 49 -11.912 5.321 5.181 1.00 0.13 H new ATOM 0 HG23 THR A 49 -12.817 6.743 5.752 1.00 0.13 H new ATOM 679 N ALA A 50 -9.728 4.431 6.623 1.00 0.09 N ATOM 680 CA ALA A 50 -9.802 2.962 6.639 1.00 0.08 C ATOM 681 C ALA A 50 -10.337 2.458 5.324 1.00 0.08 C ATOM 682 O ALA A 50 -11.258 3.024 4.753 1.00 0.09 O ATOM 683 CB ALA A 50 -10.619 2.393 7.788 1.00 0.09 C ATOM 0 H ALA A 50 -8.909 4.772 6.120 1.00 0.09 H new ATOM 0 HA ALA A 50 -8.782 2.611 6.794 1.00 0.08 H new ATOM 0 HB1 ALA A 50 -10.624 1.305 7.727 1.00 0.09 H new ATOM 0 HB2 ALA A 50 -10.178 2.702 8.736 1.00 0.09 H new ATOM 0 HB3 ALA A 50 -11.642 2.764 7.726 1.00 0.09 H new ATOM 689 N PHE A 51 -9.709 1.401 4.849 1.00 0.08 N ATOM 690 CA PHE A 51 -10.088 0.745 3.606 1.00 0.09 C ATOM 691 C PHE A 51 -11.541 0.341 3.611 1.00 0.10 C ATOM 692 O PHE A 51 -12.255 0.542 2.631 1.00 0.10 O ATOM 693 CB PHE A 51 -9.223 -0.475 3.405 1.00 0.11 C ATOM 694 CG PHE A 51 -7.811 -0.108 3.139 1.00 0.11 C ATOM 695 CD1 PHE A 51 -7.506 0.809 2.154 1.00 0.11 C ATOM 696 CD2 PHE A 51 -6.797 -0.662 3.878 1.00 0.12 C ATOM 697 CE1 PHE A 51 -6.205 1.168 1.910 1.00 0.12 C ATOM 698 CE2 PHE A 51 -5.492 -0.313 3.642 1.00 0.13 C ATOM 699 CZ PHE A 51 -5.193 0.607 2.655 1.00 0.13 C ATOM 0 H PHE A 51 -8.913 0.967 5.317 1.00 0.08 H new ATOM 0 HA PHE A 51 -9.941 1.451 2.789 1.00 0.09 H new ATOM 0 HB2 PHE A 51 -9.274 -1.107 4.291 1.00 0.11 H new ATOM 0 HB3 PHE A 51 -9.610 -1.062 2.572 1.00 0.11 H new ATOM 0 HD1 PHE A 51 -8.300 1.249 1.569 1.00 0.11 H new ATOM 0 HD2 PHE A 51 -7.028 -1.379 4.652 1.00 0.12 H new ATOM 0 HE1 PHE A 51 -5.976 1.887 1.137 1.00 0.12 H new ATOM 0 HE2 PHE A 51 -4.699 -0.756 4.226 1.00 0.13 H new ATOM 0 HZ PHE A 51 -4.166 0.885 2.469 1.00 0.13 H new ATOM 709 N LYS A 52 -11.966 -0.240 4.715 1.00 0.11 N ATOM 710 CA LYS A 52 -13.352 -0.594 4.905 1.00 0.13 C ATOM 711 C LYS A 52 -14.241 0.610 4.681 1.00 0.12 C ATOM 712 O LYS A 52 -15.287 0.531 4.041 1.00 0.15 O ATOM 713 CB LYS A 52 -13.547 -1.083 6.327 1.00 0.17 C ATOM 714 CG LYS A 52 -12.778 -2.352 6.620 1.00 0.53 C ATOM 715 CD LYS A 52 -13.116 -2.934 7.976 1.00 0.64 C ATOM 716 CE LYS A 52 -12.707 -2.012 9.107 1.00 0.59 C ATOM 717 NZ LYS A 52 -12.938 -2.635 10.436 1.00 1.22 N ATOM 0 H LYS A 52 -11.361 -0.478 5.501 1.00 0.11 H new ATOM 0 HA LYS A 52 -13.617 -1.374 4.191 1.00 0.13 H new ATOM 0 HB2 LYS A 52 -13.232 -0.304 7.021 1.00 0.17 H new ATOM 0 HB3 LYS A 52 -14.608 -1.257 6.504 1.00 0.17 H new ATOM 0 HG2 LYS A 52 -12.993 -3.090 5.847 1.00 0.53 H new ATOM 0 HG3 LYS A 52 -11.709 -2.144 6.573 1.00 0.53 H new ATOM 0 HD2 LYS A 52 -14.188 -3.124 8.032 1.00 0.64 H new ATOM 0 HD3 LYS A 52 -12.616 -3.895 8.093 1.00 0.64 H new ATOM 0 HE2 LYS A 52 -11.653 -1.755 9.004 1.00 0.59 H new ATOM 0 HE3 LYS A 52 -13.270 -1.081 9.039 1.00 0.59 H new ATOM 0 HZ1 LYS A 52 -12.646 -1.974 11.184 1.00 1.22 H new ATOM 0 HZ2 LYS A 52 -13.948 -2.857 10.544 1.00 1.22 H new ATOM 0 HZ3 LYS A 52 -12.381 -3.510 10.511 1.00 1.22 H new ATOM 731 N ASP A 53 -13.788 1.728 5.214 1.00 0.11 N ATOM 732 CA ASP A 53 -14.533 2.970 5.165 1.00 0.11 C ATOM 733 C ASP A 53 -14.350 3.655 3.814 1.00 0.10 C ATOM 734 O ASP A 53 -14.978 4.671 3.522 1.00 0.18 O ATOM 735 CB ASP A 53 -14.067 3.907 6.287 1.00 0.12 C ATOM 736 CG ASP A 53 -14.360 3.368 7.674 1.00 0.58 C ATOM 737 OD1 ASP A 53 -13.898 2.254 7.995 1.00 1.14 O ATOM 738 OD2 ASP A 53 -15.043 4.062 8.460 1.00 0.67 O ATOM 0 H ASP A 53 -12.891 1.800 5.694 1.00 0.11 H new ATOM 0 HA ASP A 53 -15.590 2.742 5.301 1.00 0.11 H new ATOM 0 HB2 ASP A 53 -12.995 4.076 6.189 1.00 0.12 H new ATOM 0 HB3 ASP A 53 -14.554 4.875 6.170 1.00 0.12 H new ATOM 743 N LEU A 54 -13.469 3.089 3.003 1.00 0.08 N ATOM 744 CA LEU A 54 -13.123 3.646 1.703 1.00 0.08 C ATOM 745 C LEU A 54 -13.910 2.979 0.588 1.00 0.08 C ATOM 746 O LEU A 54 -14.171 3.589 -0.448 1.00 0.10 O ATOM 747 CB LEU A 54 -11.623 3.472 1.454 1.00 0.08 C ATOM 748 CG LEU A 54 -10.738 4.558 2.059 1.00 0.09 C ATOM 749 CD1 LEU A 54 -9.291 4.113 2.099 1.00 0.10 C ATOM 750 CD2 LEU A 54 -10.867 5.838 1.264 1.00 0.12 C ATOM 0 H LEU A 54 -12.972 2.227 3.228 1.00 0.08 H new ATOM 0 HA LEU A 54 -13.377 4.706 1.707 1.00 0.08 H new ATOM 0 HB2 LEU A 54 -11.313 2.507 1.855 1.00 0.08 H new ATOM 0 HB3 LEU A 54 -11.450 3.441 0.378 1.00 0.08 H new ATOM 0 HG LEU A 54 -11.069 4.740 3.081 1.00 0.09 H new ATOM 0 HD11 LEU A 54 -8.679 4.903 2.534 1.00 0.10 H new ATOM 0 HD12 LEU A 54 -9.204 3.211 2.705 1.00 0.10 H new ATOM 0 HD13 LEU A 54 -8.947 3.904 1.086 1.00 0.10 H new ATOM 0 HD21 LEU A 54 -10.231 6.606 1.705 1.00 0.12 H new ATOM 0 HD22 LEU A 54 -10.559 5.659 0.234 1.00 0.12 H new ATOM 0 HD23 LEU A 54 -11.904 6.173 1.279 1.00 0.12 H new ATOM 762 N GLY A 55 -14.287 1.731 0.802 1.00 0.09 N ATOM 763 CA GLY A 55 -14.977 0.991 -0.230 1.00 0.10 C ATOM 764 C GLY A 55 -14.305 -0.330 -0.513 1.00 0.10 C ATOM 765 O GLY A 55 -14.754 -1.098 -1.364 1.00 0.15 O ATOM 0 H GLY A 55 -14.128 1.218 1.669 1.00 0.09 H new ATOM 0 HA2 GLY A 55 -16.009 0.817 0.075 1.00 0.10 H new ATOM 0 HA3 GLY A 55 -15.011 1.585 -1.143 1.00 0.10 H new ATOM 769 N ILE A 56 -13.208 -0.581 0.192 1.00 0.09 N ATOM 770 CA ILE A 56 -12.521 -1.855 0.104 1.00 0.09 C ATOM 771 C ILE A 56 -13.447 -2.969 0.579 1.00 0.14 C ATOM 772 O ILE A 56 -13.955 -2.926 1.700 1.00 0.32 O ATOM 773 CB ILE A 56 -11.225 -1.863 0.944 1.00 0.10 C ATOM 774 CG1 ILE A 56 -10.124 -1.006 0.317 1.00 0.11 C ATOM 775 CG2 ILE A 56 -10.736 -3.265 1.162 1.00 0.15 C ATOM 776 CD1 ILE A 56 -10.177 -0.916 -1.187 1.00 0.10 C ATOM 0 H ILE A 56 -12.777 0.086 0.832 1.00 0.09 H new ATOM 0 HA ILE A 56 -12.246 -2.017 -0.938 1.00 0.09 H new ATOM 0 HB ILE A 56 -11.472 -1.422 1.910 1.00 0.10 H new ATOM 0 HG12 ILE A 56 -10.186 0.001 0.730 1.00 0.11 H new ATOM 0 HG13 ILE A 56 -9.155 -1.412 0.609 1.00 0.11 H new ATOM 0 HG21 ILE A 56 -9.822 -3.243 1.756 1.00 0.15 H new ATOM 0 HG22 ILE A 56 -11.498 -3.838 1.689 1.00 0.15 H new ATOM 0 HG23 ILE A 56 -10.532 -3.733 0.199 1.00 0.15 H new ATOM 0 HD11 ILE A 56 -9.360 -0.289 -1.543 1.00 0.10 H new ATOM 0 HD12 ILE A 56 -10.082 -1.914 -1.615 1.00 0.10 H new ATOM 0 HD13 ILE A 56 -11.128 -0.480 -1.492 1.00 0.10 H new ATOM 788 N ASP A 57 -13.672 -3.953 -0.277 1.00 0.19 N ATOM 789 CA ASP A 57 -14.613 -5.016 0.038 1.00 0.28 C ATOM 790 C ASP A 57 -14.207 -6.324 -0.637 1.00 0.28 C ATOM 791 O ASP A 57 -14.801 -6.725 -1.637 1.00 0.67 O ATOM 792 CB ASP A 57 -16.024 -4.610 -0.397 1.00 0.52 C ATOM 793 CG ASP A 57 -17.097 -5.454 0.256 1.00 1.48 C ATOM 794 OD1 ASP A 57 -17.533 -5.102 1.372 1.00 2.34 O ATOM 795 OD2 ASP A 57 -17.510 -6.471 -0.337 1.00 1.95 O ATOM 0 H ASP A 57 -13.220 -4.038 -1.188 1.00 0.19 H new ATOM 0 HA ASP A 57 -14.603 -5.176 1.116 1.00 0.28 H new ATOM 0 HB2 ASP A 57 -16.190 -3.562 -0.149 1.00 0.52 H new ATOM 0 HB3 ASP A 57 -16.106 -4.698 -1.480 1.00 0.52 H new ATOM 800 N SER A 58 -13.178 -6.969 -0.080 1.00 0.23 N ATOM 801 CA SER A 58 -12.668 -8.258 -0.568 1.00 0.26 C ATOM 802 C SER A 58 -12.026 -8.140 -1.952 1.00 0.19 C ATOM 803 O SER A 58 -10.815 -8.292 -2.097 1.00 0.17 O ATOM 804 CB SER A 58 -13.772 -9.304 -0.591 1.00 0.36 C ATOM 805 OG SER A 58 -14.394 -9.423 0.679 1.00 1.25 O ATOM 0 H SER A 58 -12.670 -6.610 0.729 1.00 0.23 H new ATOM 0 HA SER A 58 -11.892 -8.574 0.129 1.00 0.26 H new ATOM 0 HB2 SER A 58 -14.517 -9.034 -1.340 1.00 0.36 H new ATOM 0 HB3 SER A 58 -13.357 -10.268 -0.887 1.00 0.36 H new ATOM 0 HG SER A 58 -15.101 -10.101 0.635 1.00 1.25 H new ATOM 811 N LEU A 59 -12.843 -7.850 -2.955 1.00 0.22 N ATOM 812 CA LEU A 59 -12.391 -7.752 -4.339 1.00 0.20 C ATOM 813 C LEU A 59 -11.371 -6.653 -4.481 1.00 0.14 C ATOM 814 O LEU A 59 -10.286 -6.849 -5.021 1.00 0.14 O ATOM 815 CB LEU A 59 -13.553 -7.416 -5.268 1.00 0.23 C ATOM 816 CG LEU A 59 -14.620 -8.498 -5.486 1.00 0.30 C ATOM 817 CD1 LEU A 59 -15.245 -8.953 -4.179 1.00 1.12 C ATOM 818 CD2 LEU A 59 -15.687 -7.963 -6.420 1.00 1.18 C ATOM 0 H LEU A 59 -13.841 -7.675 -2.833 1.00 0.22 H new ATOM 0 HA LEU A 59 -11.960 -8.717 -4.607 1.00 0.20 H new ATOM 0 HB2 LEU A 59 -14.049 -6.527 -4.878 1.00 0.23 H new ATOM 0 HB3 LEU A 59 -13.140 -7.150 -6.241 1.00 0.23 H new ATOM 0 HG LEU A 59 -14.137 -9.369 -5.930 1.00 0.30 H new ATOM 0 HD11 LEU A 59 -15.994 -9.719 -4.381 1.00 1.12 H new ATOM 0 HD12 LEU A 59 -14.472 -9.364 -3.530 1.00 1.12 H new ATOM 0 HD13 LEU A 59 -15.718 -8.103 -3.687 1.00 1.12 H new ATOM 0 HD21 LEU A 59 -16.448 -8.727 -6.579 1.00 1.18 H new ATOM 0 HD22 LEU A 59 -16.147 -7.079 -5.978 1.00 1.18 H new ATOM 0 HD23 LEU A 59 -15.234 -7.698 -7.375 1.00 1.18 H new ATOM 830 N THR A 60 -11.730 -5.492 -3.971 1.00 0.12 N ATOM 831 CA THR A 60 -10.869 -4.339 -4.065 1.00 0.10 C ATOM 832 C THR A 60 -9.796 -4.398 -3.003 1.00 0.09 C ATOM 833 O THR A 60 -8.822 -3.662 -3.051 1.00 0.10 O ATOM 834 CB THR A 60 -11.655 -3.037 -3.943 1.00 0.12 C ATOM 835 OG1 THR A 60 -12.734 -3.211 -3.012 1.00 0.16 O ATOM 836 CG2 THR A 60 -12.176 -2.616 -5.304 1.00 0.16 C ATOM 0 H THR A 60 -12.613 -5.326 -3.488 1.00 0.12 H new ATOM 0 HA THR A 60 -10.402 -4.356 -5.050 1.00 0.10 H new ATOM 0 HB THR A 60 -11.000 -2.249 -3.571 1.00 0.12 H new ATOM 0 HG1 THR A 60 -13.237 -2.373 -2.934 1.00 0.16 H new ATOM 0 HG21 THR A 60 -12.736 -1.686 -5.207 1.00 0.16 H new ATOM 0 HG22 THR A 60 -11.338 -2.466 -5.984 1.00 0.16 H new ATOM 0 HG23 THR A 60 -12.830 -3.393 -5.700 1.00 0.16 H new ATOM 844 N ALA A 61 -9.979 -5.294 -2.051 1.00 0.09 N ATOM 845 CA ALA A 61 -8.957 -5.544 -1.055 1.00 0.09 C ATOM 846 C ALA A 61 -7.868 -6.405 -1.666 1.00 0.09 C ATOM 847 O ALA A 61 -6.688 -6.253 -1.360 1.00 0.12 O ATOM 848 CB ALA A 61 -9.544 -6.210 0.177 1.00 0.10 C ATOM 0 H ALA A 61 -10.823 -5.858 -1.947 1.00 0.09 H new ATOM 0 HA ALA A 61 -8.530 -4.593 -0.737 1.00 0.09 H new ATOM 0 HB1 ALA A 61 -8.754 -6.385 0.907 1.00 0.10 H new ATOM 0 HB2 ALA A 61 -10.304 -5.562 0.614 1.00 0.10 H new ATOM 0 HB3 ALA A 61 -9.996 -7.161 -0.104 1.00 0.10 H new ATOM 854 N LEU A 62 -8.278 -7.318 -2.539 1.00 0.10 N ATOM 855 CA LEU A 62 -7.344 -8.138 -3.275 1.00 0.11 C ATOM 856 C LEU A 62 -6.742 -7.333 -4.418 1.00 0.11 C ATOM 857 O LEU A 62 -5.556 -7.422 -4.680 1.00 0.13 O ATOM 858 CB LEU A 62 -8.053 -9.363 -3.838 1.00 0.14 C ATOM 859 CG LEU A 62 -7.205 -10.637 -3.991 1.00 0.20 C ATOM 860 CD1 LEU A 62 -5.738 -10.320 -4.233 1.00 0.53 C ATOM 861 CD2 LEU A 62 -7.364 -11.521 -2.770 1.00 0.52 C ATOM 0 H LEU A 62 -9.258 -7.504 -2.750 1.00 0.10 H new ATOM 0 HA LEU A 62 -6.552 -8.461 -2.600 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -8.901 -9.593 -3.193 1.00 0.14 H new ATOM 0 HB3 LEU A 62 -8.458 -9.103 -4.816 1.00 0.14 H new ATOM 0 HG LEU A 62 -7.568 -11.171 -4.869 1.00 0.20 H new ATOM 0 HD11 LEU A 62 -5.177 -11.249 -4.335 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -5.638 -9.734 -5.147 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -5.345 -9.750 -3.391 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -6.759 -12.420 -2.890 1.00 0.52 H new ATOM 0 HD22 LEU A 62 -7.036 -10.979 -1.883 1.00 0.52 H new ATOM 0 HD23 LEU A 62 -8.411 -11.801 -2.658 1.00 0.52 H new ATOM 873 N GLU A 63 -7.555 -6.549 -5.105 1.00 0.10 N ATOM 874 CA GLU A 63 -7.069 -5.704 -6.168 1.00 0.11 C ATOM 875 C GLU A 63 -6.148 -4.636 -5.587 1.00 0.10 C ATOM 876 O GLU A 63 -5.167 -4.232 -6.219 1.00 0.12 O ATOM 877 CB GLU A 63 -8.284 -5.101 -6.872 1.00 0.14 C ATOM 878 CG GLU A 63 -8.019 -3.774 -7.518 1.00 0.41 C ATOM 879 CD GLU A 63 -7.175 -3.877 -8.772 1.00 0.59 C ATOM 880 OE1 GLU A 63 -6.068 -3.310 -8.799 1.00 0.72 O ATOM 881 OE2 GLU A 63 -7.619 -4.535 -9.741 1.00 0.83 O ATOM 0 H GLU A 63 -8.559 -6.484 -4.940 1.00 0.10 H new ATOM 0 HA GLU A 63 -6.484 -6.267 -6.895 1.00 0.11 H new ATOM 0 HB2 GLU A 63 -8.635 -5.800 -7.632 1.00 0.14 H new ATOM 0 HB3 GLU A 63 -9.091 -4.986 -6.148 1.00 0.14 H new ATOM 0 HG2 GLU A 63 -8.970 -3.302 -7.766 1.00 0.41 H new ATOM 0 HG3 GLU A 63 -7.517 -3.123 -6.802 1.00 0.41 H new ATOM 888 N LEU A 64 -6.450 -4.207 -4.362 1.00 0.09 N ATOM 889 CA LEU A 64 -5.532 -3.372 -3.612 1.00 0.09 C ATOM 890 C LEU A 64 -4.221 -4.112 -3.498 1.00 0.12 C ATOM 891 O LEU A 64 -3.155 -3.608 -3.843 1.00 0.17 O ATOM 892 CB LEU A 64 -6.061 -3.092 -2.198 1.00 0.12 C ATOM 893 CG LEU A 64 -6.107 -1.626 -1.798 1.00 0.17 C ATOM 894 CD1 LEU A 64 -6.534 -1.491 -0.342 1.00 0.43 C ATOM 895 CD2 LEU A 64 -4.749 -0.992 -2.024 1.00 0.44 C ATOM 0 H LEU A 64 -7.320 -4.426 -3.876 1.00 0.09 H new ATOM 0 HA LEU A 64 -5.414 -2.419 -4.129 1.00 0.09 H new ATOM 0 HB2 LEU A 64 -7.066 -3.505 -2.116 1.00 0.12 H new ATOM 0 HB3 LEU A 64 -5.437 -3.627 -1.482 1.00 0.12 H new ATOM 0 HG LEU A 64 -6.840 -1.107 -2.415 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -6.563 -0.436 -0.068 1.00 0.43 H new ATOM 0 HD12 LEU A 64 -7.524 -1.927 -0.211 1.00 0.43 H new ATOM 0 HD13 LEU A 64 -5.821 -2.012 0.296 1.00 0.43 H new ATOM 0 HD21 LEU A 64 -4.786 0.059 -1.736 1.00 0.44 H new ATOM 0 HD22 LEU A 64 -4.002 -1.508 -1.421 1.00 0.44 H new ATOM 0 HD23 LEU A 64 -4.482 -1.071 -3.078 1.00 0.44 H new ATOM 907 N ARG A 65 -4.363 -5.352 -3.079 1.00 0.12 N ATOM 908 CA ARG A 65 -3.242 -6.247 -2.818 1.00 0.15 C ATOM 909 C ARG A 65 -2.418 -6.426 -4.079 1.00 0.16 C ATOM 910 O ARG A 65 -1.201 -6.254 -4.080 1.00 0.19 O ATOM 911 CB ARG A 65 -3.769 -7.603 -2.299 1.00 0.18 C ATOM 912 CG ARG A 65 -2.693 -8.665 -2.071 1.00 0.33 C ATOM 913 CD ARG A 65 -2.351 -9.420 -3.350 1.00 0.43 C ATOM 914 NE ARG A 65 -1.232 -10.336 -3.168 1.00 0.78 N ATOM 915 CZ ARG A 65 -0.596 -10.948 -4.163 1.00 1.35 C ATOM 916 NH1 ARG A 65 -0.965 -10.745 -5.423 1.00 1.63 N ATOM 917 NH2 ARG A 65 0.410 -11.766 -3.894 1.00 1.72 N ATOM 0 H ARG A 65 -5.273 -5.779 -2.906 1.00 0.12 H new ATOM 0 HA ARG A 65 -2.599 -5.813 -2.053 1.00 0.15 H new ATOM 0 HB2 ARG A 65 -4.299 -7.436 -1.361 1.00 0.18 H new ATOM 0 HB3 ARG A 65 -4.497 -7.991 -3.012 1.00 0.18 H new ATOM 0 HG2 ARG A 65 -1.793 -8.190 -1.679 1.00 0.33 H new ATOM 0 HG3 ARG A 65 -3.036 -9.371 -1.315 1.00 0.33 H new ATOM 0 HD2 ARG A 65 -3.225 -9.979 -3.684 1.00 0.43 H new ATOM 0 HD3 ARG A 65 -2.109 -8.706 -4.137 1.00 0.43 H new ATOM 0 HE ARG A 65 -0.916 -10.520 -2.216 1.00 0.78 H new ATOM 0 HH11 ARG A 65 -1.741 -10.116 -5.632 1.00 1.63 H new ATOM 0 HH12 ARG A 65 -0.473 -11.218 -6.181 1.00 1.63 H new ATOM 0 HH21 ARG A 65 0.694 -11.924 -2.927 1.00 1.72 H new ATOM 0 HH22 ARG A 65 0.901 -12.238 -4.654 1.00 1.72 H new ATOM 931 N ASN A 66 -3.114 -6.757 -5.145 1.00 0.14 N ATOM 932 CA ASN A 66 -2.521 -6.994 -6.444 1.00 0.16 C ATOM 933 C ASN A 66 -1.733 -5.784 -6.939 1.00 0.16 C ATOM 934 O ASN A 66 -0.723 -5.939 -7.621 1.00 0.21 O ATOM 935 CB ASN A 66 -3.624 -7.393 -7.427 1.00 0.20 C ATOM 936 CG ASN A 66 -3.993 -8.861 -7.297 1.00 0.32 C ATOM 937 OD1 ASN A 66 -3.152 -9.697 -6.957 1.00 0.83 O ATOM 938 ND2 ASN A 66 -5.251 -9.190 -7.549 1.00 0.34 N ATOM 0 H ASN A 66 -4.128 -6.871 -5.133 1.00 0.14 H new ATOM 0 HA ASN A 66 -1.802 -7.809 -6.363 1.00 0.16 H new ATOM 0 HB2 ASN A 66 -4.507 -6.779 -7.250 1.00 0.20 H new ATOM 0 HB3 ASN A 66 -3.294 -7.190 -8.446 1.00 0.20 H new ATOM 0 HD21 ASN A 66 -5.551 -10.161 -7.464 1.00 0.34 H new ATOM 0 HD22 ASN A 66 -5.920 -8.472 -7.828 1.00 0.34 H new ATOM 945 N THR A 67 -2.173 -4.581 -6.588 1.00 0.14 N ATOM 946 CA THR A 67 -1.420 -3.390 -6.940 1.00 0.15 C ATOM 947 C THR A 67 -0.252 -3.175 -5.979 1.00 0.16 C ATOM 948 O THR A 67 0.890 -3.016 -6.411 1.00 0.21 O ATOM 949 CB THR A 67 -2.315 -2.140 -6.955 1.00 0.17 C ATOM 950 OG1 THR A 67 -3.370 -2.309 -7.913 1.00 0.22 O ATOM 951 CG2 THR A 67 -1.507 -0.891 -7.290 1.00 0.19 C ATOM 0 H THR A 67 -3.034 -4.409 -6.068 1.00 0.14 H new ATOM 0 HA THR A 67 -1.028 -3.546 -7.945 1.00 0.15 H new ATOM 0 HB THR A 67 -2.742 -2.013 -5.960 1.00 0.17 H new ATOM 0 HG1 THR A 67 -4.054 -2.907 -7.545 1.00 0.22 H new ATOM 0 HG21 THR A 67 -2.165 -0.022 -7.294 1.00 0.19 H new ATOM 0 HG22 THR A 67 -0.726 -0.752 -6.543 1.00 0.19 H new ATOM 0 HG23 THR A 67 -1.051 -1.005 -8.274 1.00 0.19 H new ATOM 959 N LEU A 68 -0.541 -3.184 -4.683 1.00 0.17 N ATOM 960 CA LEU A 68 0.481 -2.982 -3.657 1.00 0.20 C ATOM 961 C LEU A 68 1.652 -3.911 -3.876 1.00 0.20 C ATOM 962 O LEU A 68 2.790 -3.477 -4.038 1.00 0.23 O ATOM 963 CB LEU A 68 -0.076 -3.295 -2.279 1.00 0.30 C ATOM 964 CG LEU A 68 -1.359 -2.591 -1.902 1.00 0.79 C ATOM 965 CD1 LEU A 68 -2.003 -3.333 -0.753 1.00 1.38 C ATOM 966 CD2 LEU A 68 -1.086 -1.143 -1.531 1.00 1.40 C ATOM 0 H LEU A 68 -1.481 -3.330 -4.314 1.00 0.17 H new ATOM 0 HA LEU A 68 0.796 -1.941 -3.723 1.00 0.20 H new ATOM 0 HB2 LEU A 68 -0.243 -4.370 -2.213 1.00 0.30 H new ATOM 0 HB3 LEU A 68 0.683 -3.044 -1.538 1.00 0.30 H new ATOM 0 HG LEU A 68 -2.039 -2.587 -2.754 1.00 0.79 H new ATOM 0 HD11 LEU A 68 -2.930 -2.834 -0.472 1.00 1.38 H new ATOM 0 HD12 LEU A 68 -2.220 -4.357 -1.057 1.00 1.38 H new ATOM 0 HD13 LEU A 68 -1.324 -3.344 0.099 1.00 1.38 H new ATOM 0 HD21 LEU A 68 -2.022 -0.653 -1.263 1.00 1.40 H new ATOM 0 HD22 LEU A 68 -0.402 -1.107 -0.683 1.00 1.40 H new ATOM 0 HD23 LEU A 68 -0.638 -0.628 -2.381 1.00 1.40 H new ATOM 978 N THR A 69 1.345 -5.196 -3.857 1.00 0.22 N ATOM 979 CA THR A 69 2.315 -6.240 -4.039 1.00 0.25 C ATOM 980 C THR A 69 3.149 -6.014 -5.293 1.00 0.25 C ATOM 981 O THR A 69 4.361 -6.194 -5.286 1.00 0.33 O ATOM 982 CB THR A 69 1.575 -7.591 -4.129 1.00 0.34 C ATOM 983 OG1 THR A 69 1.440 -8.172 -2.830 1.00 1.01 O ATOM 984 CG2 THR A 69 2.266 -8.550 -5.083 1.00 0.65 C ATOM 0 H THR A 69 0.396 -5.540 -3.712 1.00 0.22 H new ATOM 0 HA THR A 69 2.998 -6.239 -3.190 1.00 0.25 H new ATOM 0 HB THR A 69 0.580 -7.399 -4.531 1.00 0.34 H new ATOM 0 HG1 THR A 69 2.318 -8.211 -2.396 1.00 1.01 H new ATOM 0 HG21 THR A 69 1.714 -9.489 -5.118 1.00 0.65 H new ATOM 0 HG22 THR A 69 2.299 -8.111 -6.080 1.00 0.65 H new ATOM 0 HG23 THR A 69 3.282 -8.739 -4.736 1.00 0.65 H new ATOM 992 N HIS A 70 2.492 -5.597 -6.355 1.00 0.21 N ATOM 993 CA HIS A 70 3.163 -5.406 -7.622 1.00 0.22 C ATOM 994 C HIS A 70 4.112 -4.216 -7.560 1.00 0.21 C ATOM 995 O HIS A 70 5.148 -4.222 -8.205 1.00 0.28 O ATOM 996 CB HIS A 70 2.130 -5.214 -8.733 1.00 0.24 C ATOM 997 CG HIS A 70 2.724 -5.092 -10.107 1.00 0.30 C ATOM 998 ND1 HIS A 70 2.922 -6.169 -10.941 1.00 0.39 N ATOM 999 CD2 HIS A 70 3.156 -4.006 -10.791 1.00 0.34 C ATOM 1000 CE1 HIS A 70 3.451 -5.752 -12.076 1.00 0.45 C ATOM 1001 NE2 HIS A 70 3.602 -4.443 -12.013 1.00 0.41 N ATOM 0 H HIS A 70 1.495 -5.384 -6.365 1.00 0.21 H new ATOM 0 HA HIS A 70 3.755 -6.295 -7.840 1.00 0.22 H new ATOM 0 HB2 HIS A 70 1.438 -6.056 -8.721 1.00 0.24 H new ATOM 0 HB3 HIS A 70 1.546 -4.319 -8.521 1.00 0.24 H new ATOM 0 HD2 HIS A 70 3.151 -2.985 -10.440 1.00 0.34 H new ATOM 0 HE1 HIS A 70 3.716 -6.378 -12.916 1.00 0.45 H new ATOM 0 HE2 HIS A 70 3.987 -3.853 -12.751 1.00 0.41 H new ATOM 1010 N ASN A 71 3.744 -3.195 -6.799 1.00 0.19 N ATOM 1011 CA ASN A 71 4.566 -1.993 -6.681 1.00 0.22 C ATOM 1012 C ASN A 71 5.650 -2.115 -5.619 1.00 0.20 C ATOM 1013 O ASN A 71 6.618 -1.356 -5.632 1.00 0.25 O ATOM 1014 CB ASN A 71 3.703 -0.780 -6.387 1.00 0.32 C ATOM 1015 CG ASN A 71 2.910 -0.340 -7.597 1.00 0.61 C ATOM 1016 OD1 ASN A 71 3.378 0.456 -8.410 1.00 1.44 O ATOM 1017 ND2 ASN A 71 1.709 -0.861 -7.725 1.00 0.22 N ATOM 0 H ASN A 71 2.883 -3.172 -6.253 1.00 0.19 H new ATOM 0 HA ASN A 71 5.064 -1.870 -7.643 1.00 0.22 H new ATOM 0 HB2 ASN A 71 3.019 -1.011 -5.570 1.00 0.32 H new ATOM 0 HB3 ASN A 71 4.335 0.041 -6.050 1.00 0.32 H new ATOM 0 HD21 ASN A 71 1.126 -0.608 -8.523 1.00 0.22 H new ATOM 0 HD22 ASN A 71 1.361 -1.518 -7.026 1.00 0.22 H new ATOM 1024 N THR A 72 5.493 -3.051 -4.696 1.00 0.18 N ATOM 1025 CA THR A 72 6.429 -3.181 -3.598 1.00 0.19 C ATOM 1026 C THR A 72 7.188 -4.487 -3.667 1.00 0.23 C ATOM 1027 O THR A 72 8.148 -4.690 -2.934 1.00 0.25 O ATOM 1028 CB THR A 72 5.692 -3.084 -2.263 1.00 0.19 C ATOM 1029 OG1 THR A 72 4.706 -4.124 -2.185 1.00 0.21 O ATOM 1030 CG2 THR A 72 5.010 -1.730 -2.148 1.00 0.16 C ATOM 0 H THR A 72 4.729 -3.727 -4.688 1.00 0.18 H new ATOM 0 HA THR A 72 7.148 -2.366 -3.678 1.00 0.19 H new ATOM 0 HB THR A 72 6.408 -3.196 -1.448 1.00 0.19 H new ATOM 0 HG1 THR A 72 3.959 -3.912 -2.782 1.00 0.21 H new ATOM 0 HG21 THR A 72 4.486 -1.666 -1.194 1.00 0.16 H new ATOM 0 HG22 THR A 72 5.759 -0.940 -2.204 1.00 0.16 H new ATOM 0 HG23 THR A 72 4.296 -1.612 -2.963 1.00 0.16 H new ATOM 1038 N GLY A 73 6.731 -5.385 -4.525 1.00 0.27 N ATOM 1039 CA GLY A 73 7.485 -6.585 -4.793 1.00 0.35 C ATOM 1040 C GLY A 73 7.277 -7.641 -3.738 1.00 0.39 C ATOM 1041 O GLY A 73 7.982 -8.651 -3.700 1.00 0.46 O ATOM 0 H GLY A 73 5.853 -5.303 -5.038 1.00 0.27 H new ATOM 0 HA2 GLY A 73 7.195 -6.984 -5.765 1.00 0.35 H new ATOM 0 HA3 GLY A 73 8.545 -6.339 -4.853 1.00 0.35 H new ATOM 1045 N LEU A 74 6.314 -7.399 -2.876 1.00 0.39 N ATOM 1046 CA LEU A 74 6.057 -8.269 -1.756 1.00 0.45 C ATOM 1047 C LEU A 74 5.021 -9.313 -2.090 1.00 0.62 C ATOM 1048 O LEU A 74 3.869 -9.007 -2.381 1.00 1.10 O ATOM 1049 CB LEU A 74 5.612 -7.429 -0.572 1.00 0.46 C ATOM 1050 CG LEU A 74 6.323 -7.751 0.724 1.00 0.53 C ATOM 1051 CD1 LEU A 74 7.809 -7.493 0.556 1.00 1.12 C ATOM 1052 CD2 LEU A 74 5.754 -6.924 1.854 1.00 0.94 C ATOM 0 H LEU A 74 5.690 -6.594 -2.934 1.00 0.39 H new ATOM 0 HA LEU A 74 6.975 -8.801 -1.506 1.00 0.45 H new ATOM 0 HB2 LEU A 74 5.771 -6.377 -0.808 1.00 0.46 H new ATOM 0 HB3 LEU A 74 4.540 -7.565 -0.428 1.00 0.46 H new ATOM 0 HG LEU A 74 6.173 -8.802 0.972 1.00 0.53 H new ATOM 0 HD11 LEU A 74 8.326 -7.724 1.488 1.00 1.12 H new ATOM 0 HD12 LEU A 74 8.200 -8.124 -0.242 1.00 1.12 H new ATOM 0 HD13 LEU A 74 7.970 -6.445 0.302 1.00 1.12 H new ATOM 0 HD21 LEU A 74 6.275 -7.166 2.780 1.00 0.94 H new ATOM 0 HD22 LEU A 74 5.884 -5.865 1.631 1.00 0.94 H new ATOM 0 HD23 LEU A 74 4.692 -7.144 1.967 1.00 0.94 H new ATOM 1064 N ASP A 75 5.449 -10.551 -2.013 1.00 0.54 N ATOM 1065 CA ASP A 75 4.621 -11.681 -2.379 1.00 0.72 C ATOM 1066 C ASP A 75 3.836 -12.185 -1.177 1.00 0.78 C ATOM 1067 O ASP A 75 4.121 -13.244 -0.619 1.00 0.98 O ATOM 1068 CB ASP A 75 5.504 -12.776 -2.931 1.00 1.04 C ATOM 1069 CG ASP A 75 4.714 -13.974 -3.427 1.00 1.31 C ATOM 1070 OD1 ASP A 75 4.886 -15.079 -2.865 1.00 1.45 O ATOM 1071 OD2 ASP A 75 3.908 -13.816 -4.369 1.00 1.55 O ATOM 0 H ASP A 75 6.384 -10.806 -1.694 1.00 0.54 H new ATOM 0 HA ASP A 75 3.903 -11.372 -3.139 1.00 0.72 H new ATOM 0 HB2 ASP A 75 6.102 -12.376 -3.750 1.00 1.04 H new ATOM 0 HB3 ASP A 75 6.200 -13.100 -2.157 1.00 1.04 H new ATOM 1076 N LEU A 76 2.885 -11.385 -0.755 1.00 0.91 N ATOM 1077 CA LEU A 76 2.021 -11.746 0.356 1.00 1.31 C ATOM 1078 C LEU A 76 0.566 -11.840 -0.098 1.00 0.97 C ATOM 1079 O LEU A 76 0.163 -11.160 -1.039 1.00 0.95 O ATOM 1080 CB LEU A 76 2.199 -10.732 1.485 1.00 1.98 C ATOM 1081 CG LEU A 76 3.604 -10.721 2.096 1.00 2.77 C ATOM 1082 CD1 LEU A 76 3.745 -9.612 3.115 1.00 3.54 C ATOM 1083 CD2 LEU A 76 3.911 -12.063 2.736 1.00 3.31 C ATOM 0 H LEU A 76 2.685 -10.472 -1.165 1.00 0.91 H new ATOM 0 HA LEU A 76 2.301 -12.731 0.730 1.00 1.31 H new ATOM 0 HB2 LEU A 76 1.971 -9.736 1.105 1.00 1.98 H new ATOM 0 HB3 LEU A 76 1.474 -10.947 2.270 1.00 1.98 H new ATOM 0 HG LEU A 76 4.320 -10.539 1.294 1.00 2.77 H new ATOM 0 HD11 LEU A 76 4.752 -9.627 3.533 1.00 3.54 H new ATOM 0 HD12 LEU A 76 3.567 -8.651 2.633 1.00 3.54 H new ATOM 0 HD13 LEU A 76 3.018 -9.758 3.914 1.00 3.54 H new ATOM 0 HD21 LEU A 76 4.912 -12.040 3.166 1.00 3.31 H new ATOM 0 HD22 LEU A 76 3.183 -12.266 3.522 1.00 3.31 H new ATOM 0 HD23 LEU A 76 3.858 -12.847 1.981 1.00 3.31 H new ATOM 1095 N PRO A 77 -0.233 -12.696 0.562 1.00 1.11 N ATOM 1096 CA PRO A 77 -1.600 -13.027 0.144 1.00 1.07 C ATOM 1097 C PRO A 77 -2.640 -12.000 0.621 1.00 0.78 C ATOM 1098 O PRO A 77 -2.270 -10.941 1.133 1.00 0.84 O ATOM 1099 CB PRO A 77 -1.841 -14.401 0.811 1.00 1.63 C ATOM 1100 CG PRO A 77 -0.618 -14.707 1.617 1.00 1.97 C ATOM 1101 CD PRO A 77 0.116 -13.414 1.788 1.00 1.67 C ATOM 0 HA PRO A 77 -1.705 -13.032 -0.941 1.00 1.07 H new ATOM 0 HB2 PRO A 77 -2.726 -14.373 1.446 1.00 1.63 H new ATOM 0 HB3 PRO A 77 -2.012 -15.172 0.059 1.00 1.63 H new ATOM 0 HG2 PRO A 77 -0.888 -15.130 2.585 1.00 1.97 H new ATOM 0 HG3 PRO A 77 0.006 -15.443 1.110 1.00 1.97 H new ATOM 0 HD2 PRO A 77 -0.207 -12.877 2.680 1.00 1.67 H new ATOM 0 HD3 PRO A 77 1.192 -13.565 1.879 1.00 1.67 H new ATOM 1109 N PRO A 78 -3.954 -12.276 0.419 1.00 0.60 N ATOM 1110 CA PRO A 78 -5.054 -11.454 0.957 1.00 0.50 C ATOM 1111 C PRO A 78 -4.981 -11.257 2.476 1.00 0.67 C ATOM 1112 O PRO A 78 -3.958 -11.531 3.102 1.00 1.62 O ATOM 1113 CB PRO A 78 -6.320 -12.250 0.603 1.00 0.60 C ATOM 1114 CG PRO A 78 -5.840 -13.598 0.190 1.00 0.76 C ATOM 1115 CD PRO A 78 -4.483 -13.380 -0.399 1.00 0.75 C ATOM 0 HA PRO A 78 -5.022 -10.449 0.537 1.00 0.50 H new ATOM 0 HB2 PRO A 78 -6.993 -12.318 1.458 1.00 0.60 H new ATOM 0 HB3 PRO A 78 -6.875 -11.767 -0.202 1.00 0.60 H new ATOM 0 HG2 PRO A 78 -5.793 -14.275 1.043 1.00 0.76 H new ATOM 0 HG3 PRO A 78 -6.515 -14.048 -0.538 1.00 0.76 H new ATOM 0 HD2 PRO A 78 -3.861 -14.272 -0.327 1.00 0.75 H new ATOM 0 HD3 PRO A 78 -4.537 -13.113 -1.455 1.00 0.75 H new ATOM 1123 N THR A 79 -6.080 -10.767 3.062 1.00 0.55 N ATOM 1124 CA THR A 79 -6.166 -10.430 4.489 1.00 0.40 C ATOM 1125 C THR A 79 -5.163 -9.355 4.881 1.00 0.33 C ATOM 1126 O THR A 79 -4.945 -9.095 6.063 1.00 0.37 O ATOM 1127 CB THR A 79 -6.040 -11.654 5.429 1.00 0.45 C ATOM 1128 OG1 THR A 79 -4.721 -12.213 5.400 1.00 0.52 O ATOM 1129 CG2 THR A 79 -7.053 -12.717 5.043 1.00 0.53 C ATOM 0 H THR A 79 -6.946 -10.591 2.552 1.00 0.55 H new ATOM 0 HA THR A 79 -7.173 -10.035 4.624 1.00 0.40 H new ATOM 0 HB THR A 79 -6.238 -11.309 6.444 1.00 0.45 H new ATOM 0 HG1 THR A 79 -4.182 -11.745 4.728 1.00 0.52 H new ATOM 0 HG21 THR A 79 -6.955 -13.573 5.711 1.00 0.53 H new ATOM 0 HG22 THR A 79 -8.060 -12.307 5.124 1.00 0.53 H new ATOM 0 HG23 THR A 79 -6.873 -13.036 4.016 1.00 0.53 H new ATOM 1137 N LEU A 80 -4.571 -8.714 3.886 1.00 0.32 N ATOM 1138 CA LEU A 80 -3.647 -7.622 4.127 1.00 0.32 C ATOM 1139 C LEU A 80 -4.416 -6.395 4.593 1.00 0.22 C ATOM 1140 O LEU A 80 -3.955 -5.654 5.454 1.00 0.21 O ATOM 1141 CB LEU A 80 -2.851 -7.310 2.858 1.00 0.43 C ATOM 1142 CG LEU A 80 -1.732 -6.281 3.028 1.00 1.21 C ATOM 1143 CD1 LEU A 80 -0.745 -6.739 4.088 1.00 1.91 C ATOM 1144 CD2 LEU A 80 -1.022 -6.043 1.704 1.00 1.97 C ATOM 0 H LEU A 80 -4.716 -8.934 2.901 1.00 0.32 H new ATOM 0 HA LEU A 80 -2.943 -7.914 4.907 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -2.417 -8.237 2.484 1.00 0.43 H new ATOM 0 HB3 LEU A 80 -3.541 -6.950 2.095 1.00 0.43 H new ATOM 0 HG LEU A 80 -2.175 -5.340 3.354 1.00 1.21 H new ATOM 0 HD11 LEU A 80 0.044 -5.995 4.196 1.00 1.91 H new ATOM 0 HD12 LEU A 80 -1.263 -6.859 5.040 1.00 1.91 H new ATOM 0 HD13 LEU A 80 -0.307 -7.692 3.790 1.00 1.91 H new ATOM 0 HD21 LEU A 80 -0.229 -5.308 1.843 1.00 1.97 H new ATOM 0 HD22 LEU A 80 -0.591 -6.979 1.349 1.00 1.97 H new ATOM 0 HD23 LEU A 80 -1.736 -5.671 0.970 1.00 1.97 H new ATOM 1156 N ILE A 81 -5.599 -6.208 4.029 1.00 0.18 N ATOM 1157 CA ILE A 81 -6.473 -5.105 4.423 1.00 0.13 C ATOM 1158 C ILE A 81 -7.089 -5.396 5.784 1.00 0.15 C ATOM 1159 O ILE A 81 -7.312 -4.501 6.595 1.00 0.16 O ATOM 1160 CB ILE A 81 -7.600 -4.879 3.389 1.00 0.12 C ATOM 1161 CG1 ILE A 81 -7.025 -4.753 1.994 1.00 0.13 C ATOM 1162 CG2 ILE A 81 -8.380 -3.623 3.688 1.00 0.13 C ATOM 1163 CD1 ILE A 81 -5.866 -3.803 1.920 1.00 0.13 C ATOM 0 H ILE A 81 -5.980 -6.805 3.295 1.00 0.18 H new ATOM 0 HA ILE A 81 -5.867 -4.200 4.473 1.00 0.13 H new ATOM 0 HB ILE A 81 -8.263 -5.742 3.450 1.00 0.12 H new ATOM 0 HG12 ILE A 81 -6.704 -5.736 1.649 1.00 0.13 H new ATOM 0 HG13 ILE A 81 -7.807 -4.416 1.314 1.00 0.13 H new ATOM 0 HG21 ILE A 81 -9.164 -3.495 2.942 1.00 0.13 H new ATOM 0 HG22 ILE A 81 -8.830 -3.701 4.678 1.00 0.13 H new ATOM 0 HG23 ILE A 81 -7.710 -2.764 3.661 1.00 0.13 H new ATOM 0 HD11 ILE A 81 -5.499 -3.756 0.895 1.00 0.13 H new ATOM 0 HD12 ILE A 81 -6.188 -2.811 2.235 1.00 0.13 H new ATOM 0 HD13 ILE A 81 -5.068 -4.151 2.576 1.00 0.13 H new ATOM 1175 N PHE A 82 -7.363 -6.665 6.013 1.00 0.20 N ATOM 1176 CA PHE A 82 -7.929 -7.127 7.264 1.00 0.25 C ATOM 1177 C PHE A 82 -6.917 -7.020 8.404 1.00 0.25 C ATOM 1178 O PHE A 82 -7.288 -6.873 9.569 1.00 0.30 O ATOM 1179 CB PHE A 82 -8.401 -8.568 7.086 1.00 0.32 C ATOM 1180 CG PHE A 82 -9.522 -8.708 6.095 1.00 0.36 C ATOM 1181 CD1 PHE A 82 -10.808 -8.970 6.531 1.00 0.46 C ATOM 1182 CD2 PHE A 82 -9.298 -8.566 4.730 1.00 0.34 C ATOM 1183 CE1 PHE A 82 -11.849 -9.093 5.634 1.00 0.52 C ATOM 1184 CE2 PHE A 82 -10.337 -8.688 3.829 1.00 0.40 C ATOM 1185 CZ PHE A 82 -11.613 -8.951 4.280 1.00 0.49 C ATOM 0 H PHE A 82 -7.198 -7.408 5.333 1.00 0.20 H new ATOM 0 HA PHE A 82 -8.776 -6.495 7.531 1.00 0.25 H new ATOM 0 HB2 PHE A 82 -7.560 -9.181 6.762 1.00 0.32 H new ATOM 0 HB3 PHE A 82 -8.727 -8.958 8.050 1.00 0.32 H new ATOM 0 HD1 PHE A 82 -11.000 -9.080 7.588 1.00 0.46 H new ATOM 0 HD2 PHE A 82 -8.301 -8.358 4.371 1.00 0.34 H new ATOM 0 HE1 PHE A 82 -12.847 -9.300 5.990 1.00 0.52 H new ATOM 0 HE2 PHE A 82 -10.150 -8.577 2.771 1.00 0.40 H new ATOM 0 HZ PHE A 82 -12.427 -9.046 3.576 1.00 0.49 H new ATOM 1195 N ASP A 83 -5.638 -7.099 8.060 1.00 0.23 N ATOM 1196 CA ASP A 83 -4.568 -6.975 9.044 1.00 0.25 C ATOM 1197 C ASP A 83 -4.086 -5.529 9.129 1.00 0.24 C ATOM 1198 O ASP A 83 -3.642 -5.066 10.176 1.00 0.38 O ATOM 1199 CB ASP A 83 -3.405 -7.897 8.673 1.00 0.29 C ATOM 1200 CG ASP A 83 -2.358 -8.000 9.765 1.00 0.34 C ATOM 1201 OD1 ASP A 83 -2.683 -8.506 10.859 1.00 0.48 O ATOM 1202 OD2 ASP A 83 -1.213 -7.560 9.540 1.00 0.47 O ATOM 0 H ASP A 83 -5.315 -7.249 7.104 1.00 0.23 H new ATOM 0 HA ASP A 83 -4.956 -7.269 10.019 1.00 0.25 H new ATOM 0 HB2 ASP A 83 -3.793 -8.892 8.454 1.00 0.29 H new ATOM 0 HB3 ASP A 83 -2.935 -7.531 7.760 1.00 0.29 H new ATOM 1207 N HIS A 84 -4.183 -4.824 8.010 1.00 0.14 N ATOM 1208 CA HIS A 84 -3.802 -3.417 7.929 1.00 0.12 C ATOM 1209 C HIS A 84 -4.933 -2.629 7.283 1.00 0.11 C ATOM 1210 O HIS A 84 -4.987 -2.495 6.064 1.00 0.14 O ATOM 1211 CB HIS A 84 -2.520 -3.254 7.110 1.00 0.14 C ATOM 1212 CG HIS A 84 -1.300 -3.809 7.777 1.00 0.19 C ATOM 1213 ND1 HIS A 84 -0.425 -3.045 8.518 1.00 0.22 N ATOM 1214 CD2 HIS A 84 -0.813 -5.069 7.812 1.00 0.25 C ATOM 1215 CE1 HIS A 84 0.546 -3.810 8.976 1.00 0.27 C ATOM 1216 NE2 HIS A 84 0.335 -5.045 8.563 1.00 0.29 N ATOM 0 H HIS A 84 -4.528 -5.210 7.131 1.00 0.14 H new ATOM 0 HA HIS A 84 -3.617 -3.039 8.935 1.00 0.12 H new ATOM 0 HB2 HIS A 84 -2.651 -3.746 6.146 1.00 0.14 H new ATOM 0 HB3 HIS A 84 -2.362 -2.195 6.908 1.00 0.14 H new ATOM 0 HD1 HIS A 84 -0.515 -2.043 8.686 1.00 0.22 H new ATOM 0 HD2 HIS A 84 -1.248 -5.936 7.336 1.00 0.25 H new ATOM 0 HE1 HIS A 84 1.374 -3.481 9.586 1.00 0.27 H new ATOM 1225 N PRO A 85 -5.850 -2.096 8.093 1.00 0.10 N ATOM 1226 CA PRO A 85 -7.124 -1.585 7.604 1.00 0.09 C ATOM 1227 C PRO A 85 -7.121 -0.130 7.142 1.00 0.08 C ATOM 1228 O PRO A 85 -8.173 0.392 6.781 1.00 0.09 O ATOM 1229 CB PRO A 85 -8.016 -1.746 8.829 1.00 0.12 C ATOM 1230 CG PRO A 85 -7.105 -1.497 9.984 1.00 0.14 C ATOM 1231 CD PRO A 85 -5.735 -1.969 9.558 1.00 0.13 C ATOM 0 HA PRO A 85 -7.436 -2.118 6.706 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.843 -1.036 8.815 1.00 0.12 H new ATOM 0 HB3 PRO A 85 -8.453 -2.744 8.875 1.00 0.12 H new ATOM 0 HG2 PRO A 85 -7.088 -0.438 10.243 1.00 0.14 H new ATOM 0 HG3 PRO A 85 -7.444 -2.036 10.869 1.00 0.14 H new ATOM 0 HD2 PRO A 85 -4.960 -1.255 9.839 1.00 0.13 H new ATOM 0 HD3 PRO A 85 -5.476 -2.920 10.023 1.00 0.13 H new ATOM 1239 N THR A 86 -5.978 0.540 7.130 1.00 0.07 N ATOM 1240 CA THR A 86 -5.940 1.917 6.657 1.00 0.07 C ATOM 1241 C THR A 86 -4.813 2.107 5.648 1.00 0.07 C ATOM 1242 O THR A 86 -3.860 1.328 5.646 1.00 0.07 O ATOM 1243 CB THR A 86 -5.763 2.919 7.816 1.00 0.08 C ATOM 1244 OG1 THR A 86 -4.516 2.692 8.484 1.00 0.09 O ATOM 1245 CG2 THR A 86 -6.898 2.809 8.821 1.00 0.09 C ATOM 0 H THR A 86 -5.081 0.163 7.436 1.00 0.07 H new ATOM 0 HA THR A 86 -6.898 2.115 6.177 1.00 0.07 H new ATOM 0 HB THR A 86 -5.773 3.921 7.388 1.00 0.08 H new ATOM 0 HG1 THR A 86 -4.415 3.336 9.216 1.00 0.09 H new ATOM 0 HG21 THR A 86 -6.743 3.528 9.625 1.00 0.09 H new ATOM 0 HG22 THR A 86 -7.845 3.018 8.324 1.00 0.09 H new ATOM 0 HG23 THR A 86 -6.921 1.801 9.235 1.00 0.09 H new ATOM 1253 N PRO A 87 -4.905 3.112 4.748 1.00 0.08 N ATOM 1254 CA PRO A 87 -3.814 3.417 3.818 1.00 0.09 C ATOM 1255 C PRO A 87 -2.519 3.712 4.560 1.00 0.09 C ATOM 1256 O PRO A 87 -1.429 3.463 4.048 1.00 0.11 O ATOM 1257 CB PRO A 87 -4.305 4.636 3.038 1.00 0.09 C ATOM 1258 CG PRO A 87 -5.787 4.624 3.201 1.00 0.09 C ATOM 1259 CD PRO A 87 -6.069 3.988 4.537 1.00 0.08 C ATOM 0 HA PRO A 87 -3.584 2.577 3.162 1.00 0.09 H new ATOM 0 HB2 PRO A 87 -3.872 5.556 3.430 1.00 0.09 H new ATOM 0 HB3 PRO A 87 -4.023 4.573 1.987 1.00 0.09 H new ATOM 0 HG2 PRO A 87 -6.189 5.636 3.161 1.00 0.09 H new ATOM 0 HG3 PRO A 87 -6.261 4.061 2.397 1.00 0.09 H new ATOM 0 HD2 PRO A 87 -6.159 4.734 5.327 1.00 0.08 H new ATOM 0 HD3 PRO A 87 -7.001 3.423 4.525 1.00 0.08 H new ATOM 1267 N HIS A 88 -2.652 4.231 5.777 1.00 0.09 N ATOM 1268 CA HIS A 88 -1.521 4.358 6.682 1.00 0.09 C ATOM 1269 C HIS A 88 -0.987 2.970 7.012 1.00 0.08 C ATOM 1270 O HIS A 88 0.186 2.687 6.806 1.00 0.09 O ATOM 1271 CB HIS A 88 -1.954 5.086 7.963 1.00 0.12 C ATOM 1272 CG HIS A 88 -0.876 5.232 8.998 1.00 0.19 C ATOM 1273 ND1 HIS A 88 0.348 5.814 8.741 1.00 0.28 N ATOM 1274 CD2 HIS A 88 -0.848 4.866 10.301 1.00 0.23 C ATOM 1275 CE1 HIS A 88 1.081 5.797 9.840 1.00 0.33 C ATOM 1276 NE2 HIS A 88 0.379 5.229 10.799 1.00 0.30 N ATOM 0 H HIS A 88 -3.535 4.570 6.157 1.00 0.09 H new ATOM 0 HA HIS A 88 -0.733 4.941 6.206 1.00 0.09 H new ATOM 0 HB2 HIS A 88 -2.318 6.078 7.695 1.00 0.12 H new ATOM 0 HB3 HIS A 88 -2.792 4.547 8.405 1.00 0.12 H new ATOM 0 HD2 HIS A 88 -1.643 4.379 10.847 1.00 0.23 H new ATOM 0 HE1 HIS A 88 2.085 6.183 9.936 1.00 0.33 H new ATOM 0 HE2 HIS A 88 0.696 5.082 11.757 1.00 0.30 H new ATOM 1285 N ALA A 89 -1.879 2.110 7.489 1.00 0.09 N ATOM 1286 CA ALA A 89 -1.535 0.748 7.890 1.00 0.10 C ATOM 1287 C ALA A 89 -0.852 -0.042 6.778 1.00 0.09 C ATOM 1288 O ALA A 89 0.230 -0.592 6.982 1.00 0.10 O ATOM 1289 CB ALA A 89 -2.781 0.014 8.339 1.00 0.12 C ATOM 0 H ALA A 89 -2.866 2.337 7.610 1.00 0.09 H new ATOM 0 HA ALA A 89 -0.824 0.830 8.713 1.00 0.10 H new ATOM 0 HB1 ALA A 89 -2.518 -1.001 8.637 1.00 0.12 H new ATOM 0 HB2 ALA A 89 -3.226 0.537 9.186 1.00 0.12 H new ATOM 0 HB3 ALA A 89 -3.497 -0.023 7.518 1.00 0.12 H new ATOM 1295 N LEU A 90 -1.500 -0.143 5.622 1.00 0.10 N ATOM 1296 CA LEU A 90 -0.927 -0.849 4.478 1.00 0.11 C ATOM 1297 C LEU A 90 0.445 -0.309 4.148 1.00 0.11 C ATOM 1298 O LEU A 90 1.381 -1.067 3.880 1.00 0.12 O ATOM 1299 CB LEU A 90 -1.819 -0.691 3.259 1.00 0.13 C ATOM 1300 CG LEU A 90 -2.301 -1.987 2.621 1.00 0.25 C ATOM 1301 CD1 LEU A 90 -2.906 -2.912 3.656 1.00 0.73 C ATOM 1302 CD2 LEU A 90 -3.316 -1.677 1.544 1.00 0.68 C ATOM 0 H LEU A 90 -2.423 0.255 5.451 1.00 0.10 H new ATOM 0 HA LEU A 90 -0.847 -1.903 4.744 1.00 0.11 H new ATOM 0 HB2 LEU A 90 -2.691 -0.101 3.543 1.00 0.13 H new ATOM 0 HB3 LEU A 90 -1.277 -0.117 2.507 1.00 0.13 H new ATOM 0 HG LEU A 90 -1.444 -2.493 2.177 1.00 0.25 H new ATOM 0 HD11 LEU A 90 -3.242 -3.829 3.172 1.00 0.73 H new ATOM 0 HD12 LEU A 90 -2.157 -3.153 4.411 1.00 0.73 H new ATOM 0 HD13 LEU A 90 -3.755 -2.421 4.131 1.00 0.73 H new ATOM 0 HD21 LEU A 90 -3.659 -2.606 1.089 1.00 0.68 H new ATOM 0 HD22 LEU A 90 -4.165 -1.153 1.984 1.00 0.68 H new ATOM 0 HD23 LEU A 90 -2.857 -1.048 0.782 1.00 0.68 H new ATOM 1314 N THR A 91 0.550 1.004 4.172 1.00 0.11 N ATOM 1315 CA THR A 91 1.801 1.665 3.910 1.00 0.12 C ATOM 1316 C THR A 91 2.849 1.242 4.934 1.00 0.12 C ATOM 1317 O THR A 91 3.968 0.882 4.575 1.00 0.13 O ATOM 1318 CB THR A 91 1.617 3.199 3.938 1.00 0.12 C ATOM 1319 OG1 THR A 91 0.947 3.638 2.754 1.00 0.13 O ATOM 1320 CG2 THR A 91 2.941 3.929 4.097 1.00 0.13 C ATOM 0 H THR A 91 -0.226 1.634 4.373 1.00 0.11 H new ATOM 0 HA THR A 91 2.144 1.373 2.917 1.00 0.12 H new ATOM 0 HB THR A 91 1.006 3.440 4.808 1.00 0.12 H new ATOM 0 HG1 THR A 91 -0.018 3.679 2.920 1.00 0.13 H new ATOM 0 HG21 THR A 91 2.764 5.004 4.112 1.00 0.13 H new ATOM 0 HG22 THR A 91 3.414 3.626 5.031 1.00 0.13 H new ATOM 0 HG23 THR A 91 3.596 3.680 3.262 1.00 0.13 H new ATOM 1328 N GLN A 92 2.460 1.274 6.205 1.00 0.11 N ATOM 1329 CA GLN A 92 3.315 0.831 7.299 1.00 0.12 C ATOM 1330 C GLN A 92 3.862 -0.560 7.021 1.00 0.13 C ATOM 1331 O GLN A 92 5.045 -0.828 7.213 1.00 0.16 O ATOM 1332 CB GLN A 92 2.521 0.817 8.606 1.00 0.12 C ATOM 1333 CG GLN A 92 2.019 2.180 9.034 1.00 0.16 C ATOM 1334 CD GLN A 92 1.474 2.174 10.445 1.00 0.47 C ATOM 1335 OE1 GLN A 92 0.295 1.890 10.665 1.00 1.42 O ATOM 1336 NE2 GLN A 92 2.318 2.500 11.406 1.00 1.06 N ATOM 0 H GLN A 92 1.544 1.608 6.504 1.00 0.11 H new ATOM 0 HA GLN A 92 4.150 1.525 7.387 1.00 0.12 H new ATOM 0 HB2 GLN A 92 1.670 0.146 8.495 1.00 0.12 H new ATOM 0 HB3 GLN A 92 3.149 0.407 9.397 1.00 0.12 H new ATOM 0 HG2 GLN A 92 2.832 2.903 8.964 1.00 0.16 H new ATOM 0 HG3 GLN A 92 1.239 2.510 8.347 1.00 0.16 H new ATOM 0 HE21 GLN A 92 3.286 2.728 11.179 1.00 1.06 H new ATOM 0 HE22 GLN A 92 2.002 2.524 12.376 1.00 1.06 H new ATOM 1345 N HIS A 93 2.986 -1.427 6.544 1.00 0.14 N ATOM 1346 CA HIS A 93 3.341 -2.800 6.227 1.00 0.17 C ATOM 1347 C HIS A 93 4.492 -2.867 5.225 1.00 0.19 C ATOM 1348 O HIS A 93 5.503 -3.518 5.476 1.00 0.21 O ATOM 1349 CB HIS A 93 2.111 -3.530 5.681 1.00 0.20 C ATOM 1350 CG HIS A 93 2.389 -4.904 5.160 1.00 0.27 C ATOM 1351 ND1 HIS A 93 2.645 -5.982 5.974 1.00 0.31 N ATOM 1352 CD2 HIS A 93 2.438 -5.369 3.891 1.00 0.36 C ATOM 1353 CE1 HIS A 93 2.835 -7.053 5.231 1.00 0.38 C ATOM 1354 NE2 HIS A 93 2.714 -6.711 3.960 1.00 0.41 N ATOM 0 H HIS A 93 2.008 -1.199 6.365 1.00 0.14 H new ATOM 0 HA HIS A 93 3.679 -3.288 7.141 1.00 0.17 H new ATOM 0 HB2 HIS A 93 1.364 -3.599 6.471 1.00 0.20 H new ATOM 0 HB3 HIS A 93 1.674 -2.933 4.881 1.00 0.20 H new ATOM 0 HD1 HIS A 93 2.682 -5.956 6.993 1.00 0.31 H new ATOM 0 HD2 HIS A 93 2.288 -4.791 2.991 1.00 0.36 H new ATOM 0 HE1 HIS A 93 3.053 -8.045 5.599 1.00 0.38 H new ATOM 1363 N LEU A 94 4.347 -2.191 4.095 1.00 0.18 N ATOM 1364 CA LEU A 94 5.349 -2.262 3.041 1.00 0.21 C ATOM 1365 C LEU A 94 6.532 -1.347 3.341 1.00 0.22 C ATOM 1366 O LEU A 94 7.613 -1.533 2.799 1.00 0.31 O ATOM 1367 CB LEU A 94 4.702 -1.883 1.712 1.00 0.19 C ATOM 1368 CG LEU A 94 3.488 -2.735 1.337 1.00 0.21 C ATOM 1369 CD1 LEU A 94 2.658 -2.069 0.264 1.00 0.21 C ATOM 1370 CD2 LEU A 94 3.919 -4.117 0.868 1.00 0.27 C ATOM 0 H LEU A 94 3.550 -1.590 3.885 1.00 0.18 H new ATOM 0 HA LEU A 94 5.731 -3.281 2.985 1.00 0.21 H new ATOM 0 HB2 LEU A 94 4.398 -0.837 1.755 1.00 0.19 H new ATOM 0 HB3 LEU A 94 5.448 -1.966 0.921 1.00 0.19 H new ATOM 0 HG LEU A 94 2.876 -2.839 2.233 1.00 0.21 H new ATOM 0 HD11 LEU A 94 1.803 -2.700 0.021 1.00 0.21 H new ATOM 0 HD12 LEU A 94 2.304 -1.103 0.625 1.00 0.21 H new ATOM 0 HD13 LEU A 94 3.267 -1.923 -0.628 1.00 0.21 H new ATOM 0 HD21 LEU A 94 3.038 -4.704 0.607 1.00 0.27 H new ATOM 0 HD22 LEU A 94 4.563 -4.020 -0.006 1.00 0.27 H new ATOM 0 HD23 LEU A 94 4.465 -4.618 1.667 1.00 0.27 H new ATOM 1382 N HIS A 95 6.330 -0.382 4.225 1.00 0.18 N ATOM 1383 CA HIS A 95 7.407 0.514 4.643 1.00 0.20 C ATOM 1384 C HIS A 95 8.294 -0.211 5.636 1.00 0.26 C ATOM 1385 O HIS A 95 9.481 0.079 5.768 1.00 0.39 O ATOM 1386 CB HIS A 95 6.846 1.793 5.284 1.00 0.20 C ATOM 1387 CG HIS A 95 7.900 2.794 5.658 1.00 0.25 C ATOM 1388 ND1 HIS A 95 8.385 2.921 6.939 1.00 0.37 N ATOM 1389 CD2 HIS A 95 8.569 3.716 4.915 1.00 0.26 C ATOM 1390 CE1 HIS A 95 9.299 3.866 6.973 1.00 0.43 C ATOM 1391 NE2 HIS A 95 9.434 4.364 5.760 1.00 0.36 N ATOM 0 H HIS A 95 5.431 -0.196 4.669 1.00 0.18 H new ATOM 0 HA HIS A 95 7.984 0.803 3.765 1.00 0.20 H new ATOM 0 HB2 HIS A 95 6.145 2.259 4.591 1.00 0.20 H new ATOM 0 HB3 HIS A 95 6.281 1.524 6.176 1.00 0.20 H new ATOM 0 HD2 HIS A 95 8.443 3.903 3.859 1.00 0.26 H new ATOM 0 HE1 HIS A 95 9.847 4.181 7.848 1.00 0.43 H new ATOM 0 HE2 HIS A 95 10.077 5.110 5.493 1.00 0.36 H new ATOM 1400 N THR A 96 7.700 -1.172 6.316 1.00 0.22 N ATOM 1401 CA THR A 96 8.398 -1.984 7.271 1.00 0.27 C ATOM 1402 C THR A 96 9.067 -3.150 6.546 1.00 0.32 C ATOM 1403 O THR A 96 10.265 -3.373 6.679 1.00 0.40 O ATOM 1404 CB THR A 96 7.398 -2.482 8.342 1.00 0.35 C ATOM 1405 OG1 THR A 96 7.382 -1.587 9.460 1.00 0.62 O ATOM 1406 CG2 THR A 96 7.708 -3.891 8.802 1.00 0.31 C ATOM 0 H THR A 96 6.712 -1.406 6.215 1.00 0.22 H new ATOM 0 HA THR A 96 9.174 -1.404 7.771 1.00 0.27 H new ATOM 0 HB THR A 96 6.411 -2.501 7.881 1.00 0.35 H new ATOM 0 HG1 THR A 96 6.745 -1.912 10.130 1.00 0.62 H new ATOM 0 HG21 THR A 96 6.980 -4.197 9.553 1.00 0.31 H new ATOM 0 HG22 THR A 96 7.659 -4.571 7.951 1.00 0.31 H new ATOM 0 HG23 THR A 96 8.709 -3.921 9.233 1.00 0.31 H new ATOM 1414 N ARG A 97 8.293 -3.844 5.721 1.00 0.34 N ATOM 1415 CA ARG A 97 8.780 -5.016 5.007 1.00 0.45 C ATOM 1416 C ARG A 97 9.905 -4.674 4.049 1.00 0.57 C ATOM 1417 O ARG A 97 10.744 -5.513 3.736 1.00 0.67 O ATOM 1418 CB ARG A 97 7.630 -5.679 4.265 1.00 0.58 C ATOM 1419 CG ARG A 97 6.739 -6.473 5.179 1.00 1.52 C ATOM 1420 CD ARG A 97 7.445 -7.713 5.682 1.00 2.27 C ATOM 1421 NE ARG A 97 7.726 -8.663 4.603 1.00 3.09 N ATOM 1422 CZ ARG A 97 8.620 -9.650 4.691 1.00 3.77 C ATOM 1423 NH1 ARG A 97 9.317 -9.824 5.805 1.00 3.78 N ATOM 1424 NH2 ARG A 97 8.806 -10.473 3.667 1.00 4.68 N ATOM 0 H ARG A 97 7.318 -3.612 5.529 1.00 0.34 H new ATOM 0 HA ARG A 97 9.188 -5.710 5.742 1.00 0.45 H new ATOM 0 HB2 ARG A 97 7.039 -4.915 3.760 1.00 0.58 H new ATOM 0 HB3 ARG A 97 8.030 -6.335 3.492 1.00 0.58 H new ATOM 0 HG2 ARG A 97 6.436 -5.855 6.024 1.00 1.52 H new ATOM 0 HG3 ARG A 97 5.830 -6.757 4.649 1.00 1.52 H new ATOM 0 HD2 ARG A 97 8.379 -7.427 6.165 1.00 2.27 H new ATOM 0 HD3 ARG A 97 6.830 -8.198 6.440 1.00 2.27 H new ATOM 0 HE ARG A 97 7.206 -8.564 3.731 1.00 3.09 H new ATOM 0 HH11 ARG A 97 9.171 -9.202 6.600 1.00 3.78 H new ATOM 0 HH12 ARG A 97 9.999 -10.580 5.867 1.00 3.78 H new ATOM 0 HH21 ARG A 97 8.265 -10.352 2.811 1.00 4.68 H new ATOM 0 HH22 ARG A 97 9.490 -11.227 3.736 1.00 4.68 H new ATOM 1438 N LEU A 98 9.923 -3.434 3.608 1.00 0.62 N ATOM 1439 CA LEU A 98 10.933 -2.948 2.688 1.00 0.78 C ATOM 1440 C LEU A 98 12.321 -2.909 3.336 1.00 0.92 C ATOM 1441 O LEU A 98 13.336 -2.773 2.653 1.00 1.19 O ATOM 1442 CB LEU A 98 10.524 -1.559 2.221 1.00 0.78 C ATOM 1443 CG LEU A 98 10.823 -1.232 0.763 1.00 0.68 C ATOM 1444 CD1 LEU A 98 12.201 -0.636 0.624 1.00 1.14 C ATOM 1445 CD2 LEU A 98 10.694 -2.484 -0.091 1.00 1.00 C ATOM 0 H LEU A 98 9.235 -2.731 3.878 1.00 0.62 H new ATOM 0 HA LEU A 98 11.000 -3.630 1.840 1.00 0.78 H new ATOM 0 HB2 LEU A 98 9.453 -1.442 2.387 1.00 0.78 H new ATOM 0 HB3 LEU A 98 11.027 -0.823 2.849 1.00 0.78 H new ATOM 0 HG LEU A 98 10.098 -0.496 0.416 1.00 0.68 H new ATOM 0 HD11 LEU A 98 12.395 -0.410 -0.424 1.00 1.14 H new ATOM 0 HD12 LEU A 98 12.262 0.281 1.211 1.00 1.14 H new ATOM 0 HD13 LEU A 98 12.943 -1.348 0.985 1.00 1.14 H new ATOM 0 HD21 LEU A 98 10.910 -2.239 -1.131 1.00 1.00 H new ATOM 0 HD22 LEU A 98 11.400 -3.237 0.258 1.00 1.00 H new ATOM 0 HD23 LEU A 98 9.679 -2.874 -0.013 1.00 1.00 H new ATOM 1457 N THR A 99 12.360 -3.031 4.655 1.00 0.85 N ATOM 1458 CA THR A 99 13.613 -2.959 5.389 1.00 1.08 C ATOM 1459 C THR A 99 13.638 -3.980 6.518 1.00 1.13 C ATOM 1460 O THR A 99 14.479 -3.937 7.418 1.00 1.66 O ATOM 1461 CB THR A 99 13.806 -1.543 5.937 1.00 1.19 C ATOM 1462 OG1 THR A 99 15.068 -1.414 6.603 1.00 1.61 O ATOM 1463 CG2 THR A 99 12.670 -1.158 6.872 1.00 1.07 C ATOM 0 H THR A 99 11.537 -3.180 5.238 1.00 0.85 H new ATOM 0 HA THR A 99 14.433 -3.193 4.711 1.00 1.08 H new ATOM 0 HB THR A 99 13.797 -0.859 5.089 1.00 1.19 H new ATOM 0 HG1 THR A 99 15.287 -2.255 7.055 1.00 1.61 H new ATOM 0 HG21 THR A 99 12.833 -0.147 7.246 1.00 1.07 H new ATOM 0 HG22 THR A 99 11.725 -1.196 6.331 1.00 1.07 H new ATOM 0 HG23 THR A 99 12.637 -1.854 7.710 1.00 1.07 H new ATOM 1471 N GLN A 100 12.702 -4.899 6.448 1.00 0.75 N ATOM 1472 CA GLN A 100 12.590 -5.975 7.421 1.00 0.85 C ATOM 1473 C GLN A 100 12.411 -7.308 6.710 1.00 1.01 C ATOM 1474 O GLN A 100 11.450 -8.035 6.958 1.00 1.19 O ATOM 1475 CB GLN A 100 11.416 -5.722 8.360 1.00 0.77 C ATOM 1476 CG GLN A 100 11.550 -4.459 9.173 1.00 0.81 C ATOM 1477 CD GLN A 100 11.642 -4.725 10.662 1.00 1.52 C ATOM 1478 OE1 GLN A 100 12.151 -5.760 11.090 1.00 2.10 O ATOM 1479 NE2 GLN A 100 11.145 -3.795 11.459 1.00 2.19 N ATOM 0 H GLN A 100 11.993 -4.926 5.715 1.00 0.75 H new ATOM 0 HA GLN A 100 13.507 -6.008 8.009 1.00 0.85 H new ATOM 0 HB2 GLN A 100 10.498 -5.670 7.774 1.00 0.77 H new ATOM 0 HB3 GLN A 100 11.315 -6.570 9.037 1.00 0.77 H new ATOM 0 HG2 GLN A 100 12.439 -3.917 8.850 1.00 0.81 H new ATOM 0 HG3 GLN A 100 10.694 -3.813 8.976 1.00 0.81 H new ATOM 0 HE21 GLN A 100 10.732 -2.951 11.062 1.00 2.19 H new ATOM 0 HE22 GLN A 100 11.175 -3.921 12.471 1.00 2.19 H new ATOM 1488 N SER A 101 13.332 -7.616 5.811 1.00 1.26 N ATOM 1489 CA SER A 101 13.254 -8.843 5.037 1.00 1.48 C ATOM 1490 C SER A 101 14.640 -9.349 4.675 1.00 1.84 C ATOM 1491 O SER A 101 15.636 -8.649 4.861 1.00 2.05 O ATOM 1492 CB SER A 101 12.436 -8.608 3.769 1.00 1.64 C ATOM 1493 OG SER A 101 12.857 -7.427 3.104 1.00 2.32 O ATOM 0 H SER A 101 14.142 -7.033 5.600 1.00 1.26 H new ATOM 0 HA SER A 101 12.764 -9.601 5.648 1.00 1.48 H new ATOM 0 HB2 SER A 101 12.541 -9.463 3.101 1.00 1.64 H new ATOM 0 HB3 SER A 101 11.379 -8.529 4.023 1.00 1.64 H new ATOM 0 HG SER A 101 12.202 -6.714 3.257 1.00 2.32 H new ATOM 1499 N HIS A 102 14.696 -10.564 4.158 1.00 2.10 N ATOM 1500 CA HIS A 102 15.959 -11.155 3.742 1.00 2.55 C ATOM 1501 C HIS A 102 16.134 -11.031 2.231 1.00 2.90 C ATOM 1502 O HIS A 102 15.526 -11.822 1.487 1.00 3.23 O ATOM 1503 CB HIS A 102 16.092 -12.622 4.214 1.00 2.94 C ATOM 1504 CG HIS A 102 15.006 -13.567 3.772 1.00 3.11 C ATOM 1505 ND1 HIS A 102 13.766 -13.342 3.273 1.00 3.76 N flip ATOM 1506 CD2 HIS A 102 15.139 -14.938 3.842 1.00 3.06 C flip ATOM 1507 CE1 HIS A 102 13.185 -14.564 3.057 1.00 4.18 C flip ATOM 1508 NE2 HIS A 102 14.031 -15.511 3.407 1.00 3.79 N flip ATOM 1509 OXT HIS A 102 16.863 -10.118 1.796 1.00 3.31 O ATOM 0 H HIS A 102 13.882 -11.162 4.016 1.00 2.10 H new ATOM 0 HA HIS A 102 16.764 -10.599 4.223 1.00 2.55 H new ATOM 0 HB2 HIS A 102 17.047 -13.010 3.860 1.00 2.94 H new ATOM 0 HB3 HIS A 102 16.129 -12.629 5.303 1.00 2.94 H new ATOM 0 HD2 HIS A 102 16.014 -15.462 4.198 1.00 3.06 H new ATOM 0 HE1 HIS A 102 12.192 -14.725 2.663 1.00 4.18 H new ATOM 0 HE2 HIS A 102 13.860 -16.515 3.352 1.00 3.79 H new TER 1518 HIS A 102