USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 18 GLN : amide:sc= 1.21 X(o=2.1,f=1.8) USER MOD Set 1.2: A 50 TYR OH : rot -82:sc= 0.891 USER MOD Single : A 5 TYR OH : rot 150:sc= -5.59! USER MOD Single : A 11 THR OG1 : rot -89:sc= -1.05 USER MOD Single : A 23 ASN : amide:sc= -3.18 K(o=-3.2,f=-11!) USER MOD Single : A 26 TYR OH : rot -169:sc= 0.722 USER MOD Single : A 37 TYR OH : rot 100:sc= -0.594 USER MOD Single : A 38 GLN : amide:sc= -3.23 K(o=-3.2,f=-3.8!) USER MOD Single : A 41 TYR OH : rot 13:sc= -0.151 USER MOD Single : A 47 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.1) USER MOD Single : A 49 ASN : amide:sc= -1.04 K(o=-1,f=-0.25) USER MOD Single : A 54 THR OG1 : rot -48:sc= 0.903 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 66 ASN : amide:sc= -0.737 K(o=-0.74,f=-0.016) USER MOD Single : A 69 HIS : no HE2:sc= 0.0813 K(o=0.081,f=-2.7!) USER MOD Single : A 70 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-9!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc=-0.000691 USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 4 -1.053 -1.797 -11.377 1.00 0.00 N ATOM 56 CA PRO A 4 0.180 -1.241 -10.798 1.00 0.00 C ATOM 57 C PRO A 4 0.138 0.279 -10.685 1.00 0.00 C ATOM 58 O PRO A 4 -0.653 0.939 -11.358 1.00 0.00 O ATOM 59 CB PRO A 4 1.268 -1.663 -11.795 1.00 0.00 C ATOM 60 CG PRO A 4 0.694 -2.828 -12.521 1.00 0.00 C ATOM 61 CD PRO A 4 -0.782 -2.567 -12.605 1.00 0.00 C ATOM 0 HA PRO A 4 0.344 -1.602 -9.783 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.511 -0.851 -12.481 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.191 -1.934 -11.281 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.132 -2.925 -13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.898 -3.759 -11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.042 -2.003 -13.501 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.355 -3.494 -12.635 1.00 0.00 H new ATOM 69 N TYR A 5 1.010 0.831 -9.843 1.00 0.00 N ATOM 70 CA TYR A 5 1.081 2.278 -9.661 1.00 0.00 C ATOM 71 C TYR A 5 2.513 2.722 -9.426 1.00 0.00 C ATOM 72 O TYR A 5 2.962 3.717 -9.995 1.00 0.00 O ATOM 73 CB TYR A 5 0.194 2.743 -8.503 1.00 0.00 C ATOM 74 CG TYR A 5 -1.223 3.036 -8.930 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.083 2.009 -9.278 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.692 4.342 -9.004 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.377 2.270 -9.690 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.984 4.612 -9.411 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.823 3.573 -9.754 1.00 0.00 C ATOM 80 OH TYR A 5 -5.109 3.838 -10.164 1.00 0.00 O ATOM 0 H TYR A 5 1.674 0.300 -9.279 1.00 0.00 H new ATOM 0 HA TYR A 5 0.713 2.738 -10.578 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.184 1.976 -7.729 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.627 3.639 -8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.738 0.987 -9.227 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.036 5.158 -8.739 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.035 1.457 -9.960 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.335 5.632 -9.460 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.428 4.657 -9.730 1.00 0.00 H new ATOM 90 N VAL A 6 3.237 1.978 -8.595 1.00 0.00 N ATOM 91 CA VAL A 6 4.621 2.310 -8.309 1.00 0.00 C ATOM 92 C VAL A 6 4.741 3.686 -7.662 1.00 0.00 C ATOM 93 O VAL A 6 4.176 4.666 -8.149 1.00 0.00 O ATOM 94 CB VAL A 6 5.460 2.283 -9.594 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.941 2.421 -9.277 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.186 1.010 -10.372 1.00 0.00 C ATOM 0 H VAL A 6 2.889 1.149 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 6 4.996 1.561 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 6 5.173 3.133 -10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.515 2.399 -10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.117 3.366 -8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.254 1.597 -8.637 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.787 1.003 -11.281 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.444 0.146 -9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.129 0.965 -10.635 1.00 0.00 H new ATOM 106 N GLY A 7 5.475 3.751 -6.560 1.00 0.00 N ATOM 107 CA GLY A 7 5.651 5.008 -5.859 1.00 0.00 C ATOM 108 C GLY A 7 5.983 4.807 -4.397 1.00 0.00 C ATOM 109 O GLY A 7 5.495 3.867 -3.774 1.00 0.00 O ATOM 0 H GLY A 7 5.953 2.955 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.448 5.579 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.740 5.600 -5.945 1.00 0.00 H new ATOM 113 N ILE A 8 6.806 5.691 -3.836 1.00 0.00 N ATOM 114 CA ILE A 8 7.167 5.582 -2.431 1.00 0.00 C ATOM 115 C ILE A 8 6.221 6.421 -1.589 1.00 0.00 C ATOM 116 O ILE A 8 6.394 7.628 -1.441 1.00 0.00 O ATOM 117 CB ILE A 8 8.630 5.998 -2.179 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.556 5.008 -2.899 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.924 6.058 -0.682 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.614 4.368 -2.020 1.00 0.00 C ATOM 0 H ILE A 8 7.228 6.479 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 8 7.076 4.535 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 8 8.805 6.998 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.947 4.220 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.051 5.527 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.962 6.353 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.265 6.787 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.756 5.077 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.219 3.685 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.253 5.143 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.132 3.815 -1.214 1.00 0.00 H new ATOM 132 N TRP A 9 5.217 5.755 -1.049 1.00 0.00 N ATOM 133 CA TRP A 9 4.210 6.409 -0.226 1.00 0.00 C ATOM 134 C TRP A 9 4.661 6.457 1.227 1.00 0.00 C ATOM 135 O TRP A 9 4.740 5.430 1.902 1.00 0.00 O ATOM 136 CB TRP A 9 2.870 5.679 -0.372 1.00 0.00 C ATOM 137 CG TRP A 9 2.460 5.501 -1.812 1.00 0.00 C ATOM 138 CD1 TRP A 9 3.028 4.660 -2.728 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.407 6.186 -2.501 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.399 4.782 -3.945 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.397 5.710 -3.830 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.470 7.154 -2.126 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.487 6.171 -4.779 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.431 7.608 -3.070 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.418 7.118 -4.382 1.00 0.00 C ATOM 0 H TRP A 9 5.075 4.752 -1.166 1.00 0.00 H new ATOM 0 HA TRP A 9 4.079 7.437 -0.564 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.939 4.702 0.106 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.097 6.238 0.156 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.854 3.994 -2.525 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.638 4.267 -4.792 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.451 7.540 -1.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.495 5.795 -5.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.159 8.355 -2.791 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.137 7.495 -5.095 1.00 0.00 H new ATOM 156 N VAL A 10 4.981 7.660 1.689 1.00 0.00 N ATOM 157 CA VAL A 10 5.458 7.854 3.058 1.00 0.00 C ATOM 158 C VAL A 10 4.510 8.731 3.868 1.00 0.00 C ATOM 159 O VAL A 10 3.769 9.543 3.318 1.00 0.00 O ATOM 160 CB VAL A 10 6.869 8.483 3.063 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.314 8.835 4.477 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.871 7.546 2.406 1.00 0.00 C ATOM 0 H VAL A 10 4.920 8.516 1.138 1.00 0.00 H new ATOM 0 HA VAL A 10 5.498 6.869 3.523 1.00 0.00 H new ATOM 0 HB VAL A 10 6.825 9.408 2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.311 9.275 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.615 9.550 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.335 7.932 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.860 8.004 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.901 6.604 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.571 7.357 1.375 1.00 0.00 H new ATOM 172 N THR A 11 4.549 8.555 5.184 1.00 0.00 N ATOM 173 CA THR A 11 3.702 9.323 6.090 1.00 0.00 C ATOM 174 C THR A 11 4.067 10.807 6.064 1.00 0.00 C ATOM 175 O THR A 11 4.931 11.228 5.296 1.00 0.00 O ATOM 176 CB THR A 11 3.829 8.772 7.510 1.00 0.00 C ATOM 177 OG1 THR A 11 5.102 8.177 7.705 1.00 0.00 O ATOM 178 CG2 THR A 11 2.781 7.731 7.838 1.00 0.00 C ATOM 0 H THR A 11 5.161 7.884 5.649 1.00 0.00 H new ATOM 0 HA THR A 11 2.669 9.227 5.757 1.00 0.00 H new ATOM 0 HB THR A 11 3.689 9.629 8.169 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.063 7.231 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.925 7.379 8.860 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.788 8.171 7.742 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.874 6.892 7.149 1.00 0.00 H new ATOM 186 N ALA A 12 3.398 11.592 6.905 1.00 0.00 N ATOM 187 CA ALA A 12 3.649 13.029 6.975 1.00 0.00 C ATOM 188 C ALA A 12 4.846 13.350 7.867 1.00 0.00 C ATOM 189 O ALA A 12 5.434 14.426 7.763 1.00 0.00 O ATOM 190 CB ALA A 12 2.408 13.761 7.473 1.00 0.00 C ATOM 0 H ALA A 12 2.679 11.258 7.547 1.00 0.00 H new ATOM 0 HA ALA A 12 3.885 13.372 5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.611 14.831 7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.579 13.578 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.146 13.398 8.467 1.00 0.00 H new ATOM 196 N ASP A 13 5.205 12.415 8.741 1.00 0.00 N ATOM 197 CA ASP A 13 6.333 12.613 9.644 1.00 0.00 C ATOM 198 C ASP A 13 7.540 11.792 9.198 1.00 0.00 C ATOM 199 O ASP A 13 8.680 12.115 9.533 1.00 0.00 O ATOM 200 CB ASP A 13 5.942 12.234 11.074 1.00 0.00 C ATOM 201 CG ASP A 13 6.359 13.284 12.085 1.00 0.00 C ATOM 202 OD1 ASP A 13 5.608 14.264 12.267 1.00 0.00 O ATOM 203 OD2 ASP A 13 7.438 13.125 12.695 1.00 0.00 O ATOM 0 H ASP A 13 4.733 11.516 8.843 1.00 0.00 H new ATOM 0 HA ASP A 13 6.606 13.668 9.617 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.863 12.091 11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.403 11.281 11.333 1.00 0.00 H new ATOM 208 N GLY A 14 7.283 10.729 8.444 1.00 0.00 N ATOM 209 CA GLY A 14 8.359 9.881 7.973 1.00 0.00 C ATOM 210 C GLY A 14 8.646 8.734 8.920 1.00 0.00 C ATOM 211 O GLY A 14 9.736 8.162 8.899 1.00 0.00 O ATOM 0 H GLY A 14 6.349 10.441 8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.101 9.483 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.261 10.479 7.847 1.00 0.00 H new ATOM 215 N ARG A 15 7.664 8.391 9.750 1.00 0.00 N ATOM 216 CA ARG A 15 7.831 7.294 10.703 1.00 0.00 C ATOM 217 C ARG A 15 7.826 5.955 9.974 1.00 0.00 C ATOM 218 O ARG A 15 8.404 4.976 10.447 1.00 0.00 O ATOM 219 CB ARG A 15 6.754 7.300 11.805 1.00 0.00 C ATOM 220 CG ARG A 15 5.706 8.397 11.675 1.00 0.00 C ATOM 221 CD ARG A 15 4.730 8.096 10.552 1.00 0.00 C ATOM 222 NE ARG A 15 3.344 8.071 11.017 1.00 0.00 N ATOM 223 CZ ARG A 15 2.775 7.023 11.611 1.00 0.00 C ATOM 224 NH1 ARG A 15 3.465 5.909 11.815 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.511 7.092 12.004 1.00 0.00 N ATOM 0 H ARG A 15 6.754 8.850 9.784 1.00 0.00 H new ATOM 0 HA ARG A 15 8.794 7.441 11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.249 6.334 11.804 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.246 7.401 12.772 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.163 8.497 12.615 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.197 9.352 11.487 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.836 8.848 9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.979 7.134 10.105 1.00 0.00 H new ATOM 0 HE ARG A 15 2.778 8.908 10.878 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.439 5.850 11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.022 5.111 12.270 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.975 7.947 11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.074 6.291 12.459 1.00 0.00 H new ATOM 239 N ILE A 16 7.182 5.921 8.809 1.00 0.00 N ATOM 240 CA ILE A 16 7.120 4.704 8.009 1.00 0.00 C ATOM 241 C ILE A 16 7.107 5.045 6.524 1.00 0.00 C ATOM 242 O ILE A 16 6.705 6.139 6.132 1.00 0.00 O ATOM 243 CB ILE A 16 5.892 3.823 8.372 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.732 4.011 7.384 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.425 4.117 9.785 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.679 2.939 6.316 1.00 0.00 C ATOM 0 H ILE A 16 6.698 6.721 8.401 1.00 0.00 H new ATOM 0 HA ILE A 16 8.014 4.123 8.236 1.00 0.00 H new ATOM 0 HB ILE A 16 6.214 2.784 8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.791 4.013 7.934 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.824 4.986 6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.565 3.491 10.022 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.232 3.905 10.486 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.142 5.167 9.864 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.837 3.130 5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.605 2.951 5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.556 1.963 6.786 1.00 0.00 H new ATOM 258 N ARG A 17 7.552 4.106 5.706 1.00 0.00 N ATOM 259 CA ARG A 17 7.593 4.312 4.266 1.00 0.00 C ATOM 260 C ARG A 17 7.077 3.078 3.531 1.00 0.00 C ATOM 261 O ARG A 17 7.390 1.950 3.903 1.00 0.00 O ATOM 262 CB ARG A 17 9.029 4.656 3.838 1.00 0.00 C ATOM 263 CG ARG A 17 9.543 3.879 2.632 1.00 0.00 C ATOM 264 CD ARG A 17 11.031 4.098 2.429 1.00 0.00 C ATOM 265 NE ARG A 17 11.835 3.234 3.292 1.00 0.00 N ATOM 266 CZ ARG A 17 12.270 3.584 4.502 1.00 0.00 C ATOM 267 NH1 ARG A 17 11.977 4.777 5.007 1.00 0.00 N ATOM 268 NH2 ARG A 17 12.998 2.736 5.214 1.00 0.00 N ATOM 0 H ARG A 17 7.890 3.194 6.013 1.00 0.00 H new ATOM 0 HA ARG A 17 6.942 5.145 4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.080 5.722 3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.697 4.475 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.345 2.816 2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.002 4.190 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.286 3.908 1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.275 5.141 2.632 1.00 0.00 H new ATOM 0 HE ARG A 17 12.078 2.306 2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.414 5.435 4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.315 5.035 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.225 1.816 4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.331 3.003 6.140 1.00 0.00 H new ATOM 282 N GLN A 18 6.291 3.305 2.485 1.00 0.00 N ATOM 283 CA GLN A 18 5.736 2.211 1.697 1.00 0.00 C ATOM 284 C GLN A 18 6.084 2.380 0.223 1.00 0.00 C ATOM 285 O GLN A 18 5.603 3.300 -0.436 1.00 0.00 O ATOM 286 CB GLN A 18 4.220 2.141 1.879 1.00 0.00 C ATOM 287 CG GLN A 18 3.602 0.855 1.356 1.00 0.00 C ATOM 288 CD GLN A 18 2.139 1.016 0.993 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.796 1.718 0.043 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.267 0.367 1.756 1.00 0.00 N ATOM 0 H GLN A 18 6.024 4.235 2.163 1.00 0.00 H new ATOM 0 HA GLN A 18 6.174 1.277 2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.985 2.242 2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.762 2.988 1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.156 0.521 0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.701 0.075 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.596 -0.204 2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.268 0.440 1.564 1.00 0.00 H new ATOM 299 N GLU A 19 6.929 1.489 -0.290 1.00 0.00 N ATOM 300 CA GLU A 19 7.342 1.554 -1.685 1.00 0.00 C ATOM 301 C GLU A 19 6.450 0.707 -2.569 1.00 0.00 C ATOM 302 O GLU A 19 6.301 -0.495 -2.353 1.00 0.00 O ATOM 303 CB GLU A 19 8.790 1.086 -1.850 1.00 0.00 C ATOM 304 CG GLU A 19 9.261 1.045 -3.297 1.00 0.00 C ATOM 305 CD GLU A 19 10.736 0.719 -3.420 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.104 -0.456 -3.209 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.523 1.638 -3.729 1.00 0.00 O ATOM 0 H GLU A 19 7.338 0.718 0.238 1.00 0.00 H new ATOM 0 HA GLU A 19 7.258 2.597 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.443 1.750 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.892 0.091 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.681 0.301 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.065 2.009 -3.767 1.00 0.00 H new ATOM 314 N LEU A 20 5.900 1.330 -3.596 1.00 0.00 N ATOM 315 CA LEU A 20 5.073 0.615 -4.545 1.00 0.00 C ATOM 316 C LEU A 20 5.973 0.132 -5.671 1.00 0.00 C ATOM 317 O LEU A 20 6.561 0.924 -6.406 1.00 0.00 O ATOM 318 CB LEU A 20 3.922 1.493 -5.052 1.00 0.00 C ATOM 319 CG LEU A 20 2.783 1.709 -4.049 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.513 2.138 -4.759 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.525 0.458 -3.223 1.00 0.00 C ATOM 0 H LEU A 20 6.012 2.325 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 20 4.600 -0.243 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.325 2.465 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.511 1.041 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 20 3.092 2.505 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.719 2.285 -4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.692 3.071 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.214 1.366 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.712 0.646 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.252 -0.364 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.427 0.195 -2.670 1.00 0.00 H new ATOM 333 N LEU A 21 6.134 -1.177 -5.735 1.00 0.00 N ATOM 334 CA LEU A 21 7.024 -1.805 -6.696 1.00 0.00 C ATOM 335 C LEU A 21 6.600 -1.614 -8.143 1.00 0.00 C ATOM 336 O LEU A 21 5.428 -1.390 -8.442 1.00 0.00 O ATOM 337 CB LEU A 21 7.151 -3.290 -6.370 1.00 0.00 C ATOM 338 CG LEU A 21 8.423 -3.696 -5.602 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.184 -2.475 -5.083 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.068 -4.615 -4.448 1.00 0.00 C ATOM 0 H LEU A 21 5.652 -1.835 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 21 7.990 -1.309 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.283 -3.591 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.116 -3.853 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 21 9.074 -4.224 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.075 -2.802 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.477 -1.845 -5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.543 -1.906 -4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.976 -4.895 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.390 -4.100 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.583 -5.512 -4.833 1.00 0.00 H new ATOM 352 N PRO A 22 7.584 -1.711 -9.061 1.00 0.00 N ATOM 353 CA PRO A 22 7.366 -1.556 -10.503 1.00 0.00 C ATOM 354 C PRO A 22 6.465 -2.641 -11.075 1.00 0.00 C ATOM 355 O PRO A 22 5.933 -2.499 -12.177 1.00 0.00 O ATOM 356 CB PRO A 22 8.776 -1.660 -11.104 1.00 0.00 C ATOM 357 CG PRO A 22 9.705 -1.435 -9.959 1.00 0.00 C ATOM 358 CD PRO A 22 9.001 -1.987 -8.757 1.00 0.00 C ATOM 0 HA PRO A 22 6.863 -0.616 -10.732 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.940 -2.637 -11.558 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.927 -0.916 -11.886 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.658 -1.939 -10.122 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.923 -0.374 -9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.189 -3.053 -8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.322 -1.496 -7.838 1.00 0.00 H new ATOM 366 N ASN A 23 6.292 -3.726 -10.327 1.00 0.00 N ATOM 367 CA ASN A 23 5.451 -4.823 -10.776 1.00 0.00 C ATOM 368 C ASN A 23 4.047 -4.704 -10.189 1.00 0.00 C ATOM 369 O ASN A 23 3.328 -5.695 -10.069 1.00 0.00 O ATOM 370 CB ASN A 23 6.076 -6.162 -10.387 1.00 0.00 C ATOM 371 CG ASN A 23 6.160 -6.358 -8.885 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.822 -5.463 -8.111 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.614 -7.534 -8.469 1.00 0.00 N ATOM 0 H ASN A 23 6.722 -3.866 -9.413 1.00 0.00 H new ATOM 0 HA ASN A 23 5.373 -4.773 -11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.490 -6.971 -10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.077 -6.228 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.694 -7.725 -7.470 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.883 -8.246 -9.148 1.00 0.00 H new ATOM 380 N GLY A 24 3.666 -3.484 -9.820 1.00 0.00 N ATOM 381 CA GLY A 24 2.355 -3.259 -9.248 1.00 0.00 C ATOM 382 C GLY A 24 2.215 -3.902 -7.887 1.00 0.00 C ATOM 383 O GLY A 24 1.290 -4.679 -7.651 1.00 0.00 O ATOM 0 H GLY A 24 4.244 -2.648 -9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.175 -2.187 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.593 -3.658 -9.918 1.00 0.00 H new ATOM 387 N ARG A 25 3.144 -3.584 -6.994 1.00 0.00 N ATOM 388 CA ARG A 25 3.124 -4.148 -5.648 1.00 0.00 C ATOM 389 C ARG A 25 3.578 -3.132 -4.618 1.00 0.00 C ATOM 390 O ARG A 25 3.870 -1.988 -4.957 1.00 0.00 O ATOM 391 CB ARG A 25 3.995 -5.396 -5.592 1.00 0.00 C ATOM 392 CG ARG A 25 3.634 -6.399 -6.668 1.00 0.00 C ATOM 393 CD ARG A 25 2.227 -6.943 -6.464 1.00 0.00 C ATOM 394 NE ARG A 25 2.237 -8.324 -5.987 1.00 0.00 N ATOM 395 CZ ARG A 25 2.440 -9.378 -6.775 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.649 -9.214 -8.075 1.00 0.00 N ATOM 397 NH2 ARG A 25 2.434 -10.599 -6.261 1.00 0.00 N ATOM 0 H ARG A 25 3.916 -2.943 -7.175 1.00 0.00 H new ATOM 0 HA ARG A 25 2.097 -4.423 -5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.041 -5.111 -5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.892 -5.864 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.706 -5.927 -7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.350 -7.221 -6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.696 -6.316 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.677 -6.888 -7.404 1.00 0.00 H new ATOM 0 HE ARG A 25 2.079 -8.490 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.655 -8.276 -8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.804 -10.026 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.274 -10.731 -5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.589 -11.407 -6.864 1.00 0.00 H new ATOM 411 N TYR A 26 3.602 -3.540 -3.353 1.00 0.00 N ATOM 412 CA TYR A 26 3.988 -2.632 -2.282 1.00 0.00 C ATOM 413 C TYR A 26 4.938 -3.277 -1.276 1.00 0.00 C ATOM 414 O TYR A 26 4.897 -4.483 -1.035 1.00 0.00 O ATOM 415 CB TYR A 26 2.726 -2.107 -1.590 1.00 0.00 C ATOM 416 CG TYR A 26 2.313 -2.860 -0.351 1.00 0.00 C ATOM 417 CD1 TYR A 26 3.048 -2.761 0.818 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.181 -3.656 -0.355 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.666 -3.444 1.958 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.787 -4.341 0.776 1.00 0.00 C ATOM 421 CZ TYR A 26 1.534 -4.233 1.933 1.00 0.00 C ATOM 422 OH TYR A 26 1.146 -4.913 3.063 1.00 0.00 O ATOM 0 H TYR A 26 3.361 -4.483 -3.048 1.00 0.00 H new ATOM 0 HA TYR A 26 4.539 -1.802 -2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.885 -1.062 -1.325 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.902 -2.133 -2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.932 -2.141 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.596 -3.742 -1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.250 -3.361 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.100 -4.958 0.757 1.00 0.00 H new ATOM 0 HH TYR A 26 0.442 -5.554 2.833 1.00 0.00 H new ATOM 432 N ASP A 27 5.785 -2.435 -0.688 1.00 0.00 N ATOM 433 CA ASP A 27 6.757 -2.857 0.312 1.00 0.00 C ATOM 434 C ASP A 27 6.970 -1.728 1.312 1.00 0.00 C ATOM 435 O ASP A 27 7.509 -0.679 0.961 1.00 0.00 O ATOM 436 CB ASP A 27 8.085 -3.218 -0.356 1.00 0.00 C ATOM 437 CG ASP A 27 8.373 -4.706 -0.311 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.937 -5.423 -1.235 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.037 -5.152 0.649 1.00 0.00 O ATOM 0 H ASP A 27 5.815 -1.437 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 27 6.379 -3.739 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.068 -2.886 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.894 -2.680 0.137 1.00 0.00 H new ATOM 444 N GLU A 28 6.525 -1.922 2.549 1.00 0.00 N ATOM 445 CA GLU A 28 6.657 -0.881 3.559 1.00 0.00 C ATOM 446 C GLU A 28 7.767 -1.181 4.564 1.00 0.00 C ATOM 447 O GLU A 28 7.913 -2.306 5.040 1.00 0.00 O ATOM 448 CB GLU A 28 5.308 -0.661 4.266 1.00 0.00 C ATOM 449 CG GLU A 28 5.410 -0.294 5.742 1.00 0.00 C ATOM 450 CD GLU A 28 4.072 -0.370 6.452 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.205 0.485 6.179 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.893 -1.286 7.283 1.00 0.00 O ATOM 0 H GLU A 28 6.076 -2.779 2.873 1.00 0.00 H new ATOM 0 HA GLU A 28 6.945 0.039 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.767 0.130 3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.713 -1.569 4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.116 -0.964 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.811 0.715 5.835 1.00 0.00 H new ATOM 459 N ALA A 29 8.528 -0.139 4.886 1.00 0.00 N ATOM 460 CA ALA A 29 9.619 -0.234 5.843 1.00 0.00 C ATOM 461 C ALA A 29 9.421 0.788 6.957 1.00 0.00 C ATOM 462 O ALA A 29 9.609 1.988 6.750 1.00 0.00 O ATOM 463 CB ALA A 29 10.954 -0.007 5.145 1.00 0.00 C ATOM 0 H ALA A 29 8.404 0.793 4.490 1.00 0.00 H new ATOM 0 HA ALA A 29 9.623 -1.233 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.762 -0.081 5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.093 -0.762 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.964 0.984 4.691 1.00 0.00 H new ATOM 469 N ARG A 30 9.019 0.313 8.128 1.00 0.00 N ATOM 470 CA ARG A 30 8.769 1.197 9.264 1.00 0.00 C ATOM 471 C ARG A 30 9.959 1.246 10.219 1.00 0.00 C ATOM 472 O ARG A 30 10.217 0.298 10.960 1.00 0.00 O ATOM 473 CB ARG A 30 7.517 0.739 10.014 1.00 0.00 C ATOM 474 CG ARG A 30 6.386 0.303 9.096 1.00 0.00 C ATOM 475 CD ARG A 30 5.026 0.603 9.701 1.00 0.00 C ATOM 476 NE ARG A 30 4.944 0.181 11.099 1.00 0.00 N ATOM 477 CZ ARG A 30 3.986 0.574 11.936 1.00 0.00 C ATOM 478 NH1 ARG A 30 3.027 1.392 11.521 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.987 0.145 13.191 1.00 0.00 N ATOM 0 H ARG A 30 8.859 -0.676 8.318 1.00 0.00 H new ATOM 0 HA ARG A 30 8.617 2.203 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.780 -0.089 10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.166 1.552 10.649 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.478 0.813 8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.469 -0.766 8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.827 1.672 9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.252 0.097 9.123 1.00 0.00 H new ATOM 0 HE ARG A 30 5.662 -0.451 11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.021 1.723 10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.296 1.690 12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.721 -0.485 13.514 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.254 0.445 13.833 1.00 0.00 H new ATOM 571 N ALA A 36 8.334 -4.882 6.872 1.00 0.00 N ATOM 572 CA ALA A 36 7.329 -5.325 7.829 1.00 0.00 C ATOM 573 C ALA A 36 6.192 -6.069 7.134 1.00 0.00 C ATOM 574 O ALA A 36 5.771 -7.135 7.579 1.00 0.00 O ATOM 575 CB ALA A 36 6.791 -4.131 8.603 1.00 0.00 C ATOM 0 HA ALA A 36 7.800 -6.019 8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.040 -4.469 9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.608 -3.646 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.339 -3.421 7.910 1.00 0.00 H new ATOM 581 N TYR A 37 5.705 -5.492 6.042 1.00 0.00 N ATOM 582 CA TYR A 37 4.617 -6.090 5.280 1.00 0.00 C ATOM 583 C TYR A 37 4.716 -5.735 3.799 1.00 0.00 C ATOM 584 O TYR A 37 5.218 -4.672 3.434 1.00 0.00 O ATOM 585 CB TYR A 37 3.268 -5.632 5.834 1.00 0.00 C ATOM 586 CG TYR A 37 2.422 -6.769 6.352 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.749 -7.409 7.537 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.306 -7.206 5.652 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.983 -8.455 8.016 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.534 -8.252 6.122 1.00 0.00 C ATOM 591 CZ TYR A 37 0.877 -8.873 7.306 1.00 0.00 C ATOM 592 OH TYR A 37 0.114 -9.916 7.778 1.00 0.00 O ATOM 0 H TYR A 37 6.048 -4.609 5.664 1.00 0.00 H new ATOM 0 HA TYR A 37 4.698 -7.173 5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.437 -4.917 6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.720 -5.107 5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.616 -7.085 8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.036 -6.721 4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.249 -8.943 8.942 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.332 -8.581 5.566 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.683 -9.562 8.226 1.00 0.00 H new ATOM 602 N GLN A 38 4.222 -6.635 2.958 1.00 0.00 N ATOM 603 CA GLN A 38 4.233 -6.431 1.512 1.00 0.00 C ATOM 604 C GLN A 38 3.192 -7.324 0.853 1.00 0.00 C ATOM 605 O GLN A 38 2.891 -8.409 1.352 1.00 0.00 O ATOM 606 CB GLN A 38 5.616 -6.725 0.917 1.00 0.00 C ATOM 607 CG GLN A 38 6.710 -6.953 1.951 1.00 0.00 C ATOM 608 CD GLN A 38 7.958 -7.571 1.353 1.00 0.00 C ATOM 609 OE1 GLN A 38 8.200 -7.470 0.151 1.00 0.00 O ATOM 610 NE2 GLN A 38 8.758 -8.219 2.193 1.00 0.00 N ATOM 0 H GLN A 38 3.806 -7.518 3.253 1.00 0.00 H new ATOM 0 HA GLN A 38 3.994 -5.385 1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.544 -7.607 0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.907 -5.893 0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.968 -6.002 2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.330 -7.602 2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.518 -8.278 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.612 -8.657 1.848 1.00 0.00 H new ATOM 619 N GLY A 39 2.642 -6.870 -0.267 1.00 0.00 N ATOM 620 CA GLY A 39 1.640 -7.665 -0.954 1.00 0.00 C ATOM 621 C GLY A 39 1.284 -7.114 -2.317 1.00 0.00 C ATOM 622 O GLY A 39 2.147 -6.973 -3.184 1.00 0.00 O ATOM 0 H GLY A 39 2.867 -5.978 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.007 -8.686 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.740 -7.714 -0.341 1.00 0.00 H new ATOM 626 N ARG A 40 0.009 -6.802 -2.506 1.00 0.00 N ATOM 627 CA ARG A 40 -0.467 -6.266 -3.768 1.00 0.00 C ATOM 628 C ARG A 40 -1.717 -5.438 -3.532 1.00 0.00 C ATOM 629 O ARG A 40 -2.338 -5.530 -2.473 1.00 0.00 O ATOM 630 CB ARG A 40 -0.758 -7.399 -4.753 1.00 0.00 C ATOM 631 CG ARG A 40 -1.951 -8.259 -4.363 1.00 0.00 C ATOM 632 CD ARG A 40 -1.689 -9.735 -4.627 1.00 0.00 C ATOM 633 NE ARG A 40 -2.674 -10.309 -5.541 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.481 -11.437 -6.225 1.00 0.00 C ATOM 635 NH1 ARG A 40 -1.346 -12.113 -6.098 1.00 0.00 N ATOM 636 NH2 ARG A 40 -3.428 -11.888 -7.036 1.00 0.00 N ATOM 0 H ARG A 40 -0.715 -6.913 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 40 0.306 -5.629 -4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.936 -6.973 -5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.125 -8.033 -4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.176 -8.112 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.829 -7.939 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.690 -9.857 -5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.707 -10.281 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.560 -9.819 -5.663 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.615 -11.770 -5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.204 -12.975 -6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.302 -11.372 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.282 -12.751 -7.560 1.00 0.00 H new ATOM 650 N TYR A 41 -2.083 -4.621 -4.506 1.00 0.00 N ATOM 651 CA TYR A 41 -3.259 -3.781 -4.362 1.00 0.00 C ATOM 652 C TYR A 41 -4.085 -3.724 -5.635 1.00 0.00 C ATOM 653 O TYR A 41 -3.571 -3.882 -6.742 1.00 0.00 O ATOM 654 CB TYR A 41 -2.859 -2.363 -3.965 1.00 0.00 C ATOM 655 CG TYR A 41 -1.597 -1.880 -4.636 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.357 -2.097 -4.053 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.645 -1.210 -5.854 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.800 -1.658 -4.662 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.489 -0.769 -6.469 1.00 0.00 C ATOM 660 CZ TYR A 41 0.731 -0.996 -5.869 1.00 0.00 C ATOM 661 OH TYR A 41 1.884 -0.559 -6.478 1.00 0.00 O ATOM 0 H TYR A 41 -1.590 -4.522 -5.393 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.870 -4.230 -3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.674 -1.682 -4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.724 -2.322 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.297 -2.617 -3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.600 -1.032 -6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.758 -1.833 -4.194 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.541 -0.249 -7.414 1.00 0.00 H new ATOM 0 HH TYR A 41 2.660 -0.970 -6.043 1.00 0.00 H new ATOM 671 N GLU A 42 -5.367 -3.460 -5.453 1.00 0.00 N ATOM 672 CA GLU A 42 -6.296 -3.331 -6.565 1.00 0.00 C ATOM 673 C GLU A 42 -6.900 -1.934 -6.541 1.00 0.00 C ATOM 674 O GLU A 42 -7.408 -1.493 -5.515 1.00 0.00 O ATOM 675 CB GLU A 42 -7.397 -4.391 -6.474 1.00 0.00 C ATOM 676 CG GLU A 42 -7.628 -5.139 -7.777 1.00 0.00 C ATOM 677 CD GLU A 42 -8.725 -6.179 -7.665 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.910 -5.788 -7.608 1.00 0.00 O ATOM 679 OE2 GLU A 42 -8.400 -7.385 -7.632 1.00 0.00 O ATOM 0 H GLU A 42 -5.793 -3.329 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.763 -3.484 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.137 -5.107 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.327 -3.912 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.887 -4.426 -8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.701 -5.625 -8.082 1.00 0.00 H new ATOM 686 N VAL A 43 -6.824 -1.232 -7.663 1.00 0.00 N ATOM 687 CA VAL A 43 -7.343 0.128 -7.738 1.00 0.00 C ATOM 688 C VAL A 43 -8.671 0.193 -8.488 1.00 0.00 C ATOM 689 O VAL A 43 -8.813 -0.355 -9.582 1.00 0.00 O ATOM 690 CB VAL A 43 -6.319 1.071 -8.406 1.00 0.00 C ATOM 691 CG1 VAL A 43 -6.921 2.443 -8.669 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.070 1.186 -7.539 1.00 0.00 C ATOM 0 H VAL A 43 -6.411 -1.578 -8.529 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.518 0.456 -6.714 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.040 0.645 -9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.175 3.083 -9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.782 2.342 -9.330 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.238 2.888 -7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.354 1.853 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.341 1.587 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.621 0.201 -7.415 1.00 0.00 H new ATOM 702 N ARG A 44 -9.638 0.876 -7.881 1.00 0.00 N ATOM 703 CA ARG A 44 -10.962 1.032 -8.473 1.00 0.00 C ATOM 704 C ARG A 44 -11.522 2.421 -8.182 1.00 0.00 C ATOM 705 O ARG A 44 -12.017 2.683 -7.086 1.00 0.00 O ATOM 706 CB ARG A 44 -11.914 -0.033 -7.925 1.00 0.00 C ATOM 707 CG ARG A 44 -12.933 -0.520 -8.943 1.00 0.00 C ATOM 708 CD ARG A 44 -14.215 0.297 -8.887 1.00 0.00 C ATOM 709 NE ARG A 44 -15.394 -0.547 -8.711 1.00 0.00 N ATOM 710 CZ ARG A 44 -15.773 -1.058 -7.542 1.00 0.00 C ATOM 711 NH1 ARG A 44 -15.069 -0.813 -6.443 1.00 0.00 N ATOM 712 NH2 ARG A 44 -16.859 -1.814 -7.470 1.00 0.00 N ATOM 0 H ARG A 44 -9.528 1.332 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.870 0.911 -9.552 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.330 -0.883 -7.572 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.441 0.372 -7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.506 -0.459 -9.944 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.161 -1.569 -8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.154 1.011 -8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.317 0.875 -9.805 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.960 -0.757 -9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.233 -0.231 -6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.364 -1.207 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.405 -2.004 -8.311 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.149 -2.206 -6.574 1.00 0.00 H new ATOM 726 N GLY A 45 -11.438 3.311 -9.167 1.00 0.00 N ATOM 727 CA GLY A 45 -11.940 4.662 -8.988 1.00 0.00 C ATOM 728 C GLY A 45 -11.275 5.375 -7.825 1.00 0.00 C ATOM 729 O GLY A 45 -11.941 6.045 -7.037 1.00 0.00 O ATOM 0 H GLY A 45 -11.032 3.121 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.776 5.232 -9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.017 4.628 -8.822 1.00 0.00 H new ATOM 733 N ALA A 46 -9.956 5.217 -7.718 1.00 0.00 N ATOM 734 CA ALA A 46 -9.177 5.836 -6.644 1.00 0.00 C ATOM 735 C ALA A 46 -9.253 5.020 -5.354 1.00 0.00 C ATOM 736 O ALA A 46 -8.540 5.306 -4.392 1.00 0.00 O ATOM 737 CB ALA A 46 -9.625 7.269 -6.393 1.00 0.00 C ATOM 0 H ALA A 46 -9.400 4.661 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.137 5.854 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.028 7.702 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.491 7.856 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.677 7.277 -6.107 1.00 0.00 H new ATOM 743 N HIS A 47 -10.100 3.992 -5.339 1.00 0.00 N ATOM 744 CA HIS A 47 -10.236 3.135 -4.170 1.00 0.00 C ATOM 745 C HIS A 47 -9.321 1.930 -4.318 1.00 0.00 C ATOM 746 O HIS A 47 -9.352 1.243 -5.338 1.00 0.00 O ATOM 747 CB HIS A 47 -11.689 2.682 -4.000 1.00 0.00 C ATOM 748 CG HIS A 47 -12.334 3.195 -2.751 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.533 2.416 -1.630 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.828 4.419 -2.446 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.122 3.136 -0.693 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.312 4.356 -1.162 1.00 0.00 N ATOM 0 H HIS A 47 -10.700 3.735 -6.123 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.951 3.698 -3.281 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.268 3.015 -4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.723 1.593 -3.995 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.839 5.284 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.401 2.787 0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.747 5.126 -0.654 1.00 0.00 H new ATOM 761 N ILE A 48 -8.486 1.684 -3.315 1.00 0.00 N ATOM 762 CA ILE A 48 -7.555 0.567 -3.380 1.00 0.00 C ATOM 763 C ILE A 48 -7.499 -0.210 -2.074 1.00 0.00 C ATOM 764 O ILE A 48 -7.653 0.352 -0.991 1.00 0.00 O ATOM 765 CB ILE A 48 -6.130 1.044 -3.774 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.033 0.139 -3.174 1.00 0.00 C ATOM 767 CG2 ILE A 48 -5.913 2.495 -3.363 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.570 0.551 -1.787 1.00 0.00 C ATOM 0 H ILE A 48 -8.435 2.235 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.929 -0.104 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.054 0.974 -4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.407 -0.884 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.174 0.136 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.909 2.808 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.646 3.128 -3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.029 2.589 -2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.799 -0.138 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.163 1.562 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.415 0.525 -1.099 1.00 0.00 H new ATOM 780 N ASN A 49 -7.250 -1.507 -2.197 1.00 0.00 N ATOM 781 CA ASN A 49 -7.139 -2.386 -1.043 1.00 0.00 C ATOM 782 C ASN A 49 -5.905 -3.273 -1.183 1.00 0.00 C ATOM 783 O ASN A 49 -5.548 -3.686 -2.286 1.00 0.00 O ATOM 784 CB ASN A 49 -8.394 -3.251 -0.884 1.00 0.00 C ATOM 785 CG ASN A 49 -9.573 -2.741 -1.693 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.571 -2.283 -1.136 1.00 0.00 O ATOM 787 ND2 ASN A 49 -9.463 -2.818 -3.014 1.00 0.00 N ATOM 0 H ASN A 49 -7.120 -1.976 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.040 -1.768 -0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.166 -4.272 -1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.672 -3.288 0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.224 -2.490 -3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.618 -3.205 -3.434 1.00 0.00 H new ATOM 794 N TYR A 50 -5.262 -3.560 -0.061 1.00 0.00 N ATOM 795 CA TYR A 50 -4.070 -4.393 -0.045 1.00 0.00 C ATOM 796 C TYR A 50 -4.423 -5.802 0.396 1.00 0.00 C ATOM 797 O TYR A 50 -4.816 -6.010 1.539 1.00 0.00 O ATOM 798 CB TYR A 50 -3.040 -3.817 0.933 1.00 0.00 C ATOM 799 CG TYR A 50 -2.480 -2.468 0.539 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.806 -2.293 -0.662 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.623 -1.366 1.376 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.290 -1.060 -1.017 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.111 -0.132 1.026 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.447 0.016 -0.171 1.00 0.00 C ATOM 805 OH TYR A 50 -0.936 1.243 -0.522 1.00 0.00 O ATOM 0 H TYR A 50 -5.550 -3.224 0.858 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.653 -4.415 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.502 -3.730 1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.216 -4.524 1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.683 -3.133 -1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.143 -1.477 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.766 -0.941 -1.954 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.231 0.713 1.688 1.00 0.00 H new ATOM 0 HH TYR A 50 0.019 1.274 -0.305 1.00 0.00 H new ATOM 815 N TRP A 51 -4.274 -6.769 -0.496 1.00 0.00 N ATOM 816 CA TRP A 51 -4.572 -8.150 -0.154 1.00 0.00 C ATOM 817 C TRP A 51 -3.280 -8.953 -0.060 1.00 0.00 C ATOM 818 O TRP A 51 -2.803 -9.506 -1.051 1.00 0.00 O ATOM 819 CB TRP A 51 -5.523 -8.774 -1.179 1.00 0.00 C ATOM 820 CG TRP A 51 -5.750 -10.241 -0.972 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.500 -10.822 0.009 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.223 -11.313 -1.763 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.473 -12.189 -0.123 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.695 -12.515 -1.204 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.399 -11.372 -2.889 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.370 -13.762 -1.732 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.076 -12.610 -3.414 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.561 -13.791 -2.835 1.00 0.00 C ATOM 0 H TRP A 51 -3.952 -6.625 -1.453 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.069 -8.168 0.816 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.481 -8.257 -1.135 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.121 -8.615 -2.179 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -7.037 -10.285 0.777 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.953 -12.853 0.484 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.021 -10.467 -3.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.743 -14.673 -1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.439 -12.668 -4.285 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.291 -14.743 -3.268 1.00 0.00 H new ATOM 839 N ASP A 52 -2.710 -8.994 1.139 1.00 0.00 N ATOM 840 CA ASP A 52 -1.458 -9.710 1.367 1.00 0.00 C ATOM 841 C ASP A 52 -1.632 -11.212 1.200 1.00 0.00 C ATOM 842 O ASP A 52 -2.739 -11.743 1.304 1.00 0.00 O ATOM 843 CB ASP A 52 -0.915 -9.415 2.764 1.00 0.00 C ATOM 844 CG ASP A 52 -0.148 -8.108 2.820 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.774 -7.043 2.638 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.080 -8.151 3.045 1.00 0.00 O ATOM 0 H ASP A 52 -3.094 -8.541 1.968 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.747 -9.359 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.742 -9.379 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.263 -10.230 3.077 1.00 0.00 H new ATOM 851 N ASP A 53 -0.520 -11.892 0.947 1.00 0.00 N ATOM 852 CA ASP A 53 -0.523 -13.338 0.774 1.00 0.00 C ATOM 853 C ASP A 53 -0.431 -14.050 2.121 1.00 0.00 C ATOM 854 O ASP A 53 -0.647 -15.260 2.205 1.00 0.00 O ATOM 855 CB ASP A 53 0.640 -13.765 -0.123 1.00 0.00 C ATOM 856 CG ASP A 53 0.261 -14.890 -1.066 1.00 0.00 C ATOM 857 OD1 ASP A 53 0.339 -16.065 -0.651 1.00 0.00 O ATOM 858 OD2 ASP A 53 -0.114 -14.595 -2.222 1.00 0.00 O ATOM 0 H ASP A 53 0.400 -11.461 0.857 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.463 -13.621 0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.981 -12.908 -0.703 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.477 -14.082 0.499 1.00 0.00 H new ATOM 863 N THR A 54 -0.106 -13.301 3.177 1.00 0.00 N ATOM 864 CA THR A 54 0.017 -13.880 4.512 1.00 0.00 C ATOM 865 C THR A 54 -1.300 -13.810 5.283 1.00 0.00 C ATOM 866 O THR A 54 -1.312 -13.839 6.513 1.00 0.00 O ATOM 867 CB THR A 54 1.129 -13.186 5.300 1.00 0.00 C ATOM 868 OG1 THR A 54 1.348 -13.838 6.538 1.00 0.00 O ATOM 869 CG2 THR A 54 0.839 -11.731 5.593 1.00 0.00 C ATOM 0 H THR A 54 0.075 -12.298 3.132 1.00 0.00 H new ATOM 0 HA THR A 54 0.274 -14.932 4.388 1.00 0.00 H new ATOM 0 HB THR A 54 2.011 -13.241 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.489 -13.987 6.986 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.668 -11.301 6.154 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.715 -11.189 4.656 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.076 -11.653 6.181 1.00 0.00 H new ATOM 877 N GLY A 55 -2.403 -13.749 4.549 1.00 0.00 N ATOM 878 CA GLY A 55 -3.713 -13.715 5.170 1.00 0.00 C ATOM 879 C GLY A 55 -4.115 -12.354 5.722 1.00 0.00 C ATOM 880 O GLY A 55 -4.941 -12.282 6.633 1.00 0.00 O ATOM 0 H GLY A 55 -2.414 -13.722 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.456 -14.030 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.736 -14.443 5.981 1.00 0.00 H new ATOM 884 N PHE A 56 -3.563 -11.273 5.176 1.00 0.00 N ATOM 885 CA PHE A 56 -3.917 -9.941 5.636 1.00 0.00 C ATOM 886 C PHE A 56 -4.529 -9.144 4.500 1.00 0.00 C ATOM 887 O PHE A 56 -4.368 -9.484 3.328 1.00 0.00 O ATOM 888 CB PHE A 56 -2.679 -9.217 6.199 1.00 0.00 C ATOM 889 CG PHE A 56 -2.646 -7.724 5.952 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.597 -7.216 4.660 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.676 -6.834 7.013 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.580 -5.850 4.433 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.655 -5.469 6.793 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.609 -4.977 5.502 1.00 0.00 C ATOM 0 H PHE A 56 -2.876 -11.296 4.422 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.652 -10.031 6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.630 -9.394 7.273 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.786 -9.663 5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.572 -7.896 3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.716 -7.211 8.024 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.544 -5.469 3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.675 -4.787 7.630 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.596 -3.911 5.330 1.00 0.00 H new ATOM 904 N THR A 57 -5.195 -8.062 4.856 1.00 0.00 N ATOM 905 CA THR A 57 -5.795 -7.184 3.865 1.00 0.00 C ATOM 906 C THR A 57 -6.069 -5.808 4.454 1.00 0.00 C ATOM 907 O THR A 57 -6.460 -5.682 5.615 1.00 0.00 O ATOM 908 CB THR A 57 -7.079 -7.776 3.270 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.218 -7.029 3.666 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.335 -9.222 3.644 1.00 0.00 C ATOM 0 H THR A 57 -5.335 -7.769 5.823 1.00 0.00 H new ATOM 0 HA THR A 57 -5.075 -7.082 3.053 1.00 0.00 H new ATOM 0 HB THR A 57 -6.920 -7.727 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.023 -7.426 3.272 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.262 -9.559 3.181 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.509 -9.840 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.418 -9.308 4.727 1.00 0.00 H new ATOM 918 N ALA A 58 -5.860 -4.778 3.643 1.00 0.00 N ATOM 919 CA ALA A 58 -6.085 -3.402 4.089 1.00 0.00 C ATOM 920 C ALA A 58 -6.701 -2.551 2.985 1.00 0.00 C ATOM 921 O ALA A 58 -6.129 -2.407 1.909 1.00 0.00 O ATOM 922 CB ALA A 58 -4.779 -2.786 4.566 1.00 0.00 C ATOM 0 H ALA A 58 -5.537 -4.864 2.679 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.791 -3.429 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.958 -1.763 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.383 -3.370 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.058 -2.783 3.748 1.00 0.00 H new ATOM 928 N ASP A 59 -7.870 -1.981 3.259 1.00 0.00 N ATOM 929 CA ASP A 59 -8.555 -1.146 2.277 1.00 0.00 C ATOM 930 C ASP A 59 -8.155 0.321 2.411 1.00 0.00 C ATOM 931 O ASP A 59 -7.744 0.771 3.481 1.00 0.00 O ATOM 932 CB ASP A 59 -10.071 -1.287 2.431 1.00 0.00 C ATOM 933 CG ASP A 59 -10.539 -0.999 3.843 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.472 -1.916 4.690 1.00 0.00 O ATOM 935 OD2 ASP A 59 -10.972 0.143 4.105 1.00 0.00 O ATOM 0 H ASP A 59 -8.361 -2.081 4.147 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.257 -1.488 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.568 -0.606 1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.369 -2.298 2.152 1.00 0.00 H new ATOM 940 N GLY A 60 -8.280 1.058 1.311 1.00 0.00 N ATOM 941 CA GLY A 60 -7.934 2.468 1.308 1.00 0.00 C ATOM 942 C GLY A 60 -8.512 3.190 0.107 1.00 0.00 C ATOM 943 O GLY A 60 -9.298 2.617 -0.648 1.00 0.00 O ATOM 0 H GLY A 60 -8.617 0.701 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.301 2.934 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.849 2.576 1.309 1.00 0.00 H new ATOM 947 N ASP A 61 -8.129 4.451 -0.076 1.00 0.00 N ATOM 948 CA ASP A 61 -8.624 5.239 -1.199 1.00 0.00 C ATOM 949 C ASP A 61 -7.832 6.533 -1.360 1.00 0.00 C ATOM 950 O ASP A 61 -7.596 7.254 -0.390 1.00 0.00 O ATOM 951 CB ASP A 61 -10.108 5.559 -1.008 1.00 0.00 C ATOM 952 CG ASP A 61 -10.414 6.075 0.385 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.143 5.346 1.362 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.926 7.208 0.500 1.00 0.00 O ATOM 0 H ASP A 61 -7.481 4.946 0.536 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.496 4.646 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.414 6.303 -1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.698 4.662 -1.198 1.00 0.00 H new ATOM 959 N PHE A 62 -7.430 6.823 -2.593 1.00 0.00 N ATOM 960 CA PHE A 62 -6.675 8.034 -2.887 1.00 0.00 C ATOM 961 C PHE A 62 -7.562 9.262 -2.760 1.00 0.00 C ATOM 962 O PHE A 62 -8.458 9.486 -3.573 1.00 0.00 O ATOM 963 CB PHE A 62 -6.079 7.979 -4.296 1.00 0.00 C ATOM 964 CG PHE A 62 -5.280 6.737 -4.599 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.794 5.924 -3.585 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.008 6.390 -5.914 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.056 4.792 -3.877 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.273 5.258 -6.211 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.795 4.460 -5.192 1.00 0.00 C ATOM 0 H PHE A 62 -7.615 6.235 -3.405 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.863 8.102 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.889 8.058 -5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.438 8.849 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.995 6.179 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.375 7.013 -6.716 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.684 4.168 -3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.073 4.998 -7.240 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.218 3.577 -5.422 1.00 0.00 H new ATOM 979 N VAL A 63 -7.300 10.056 -1.735 1.00 0.00 N ATOM 980 CA VAL A 63 -8.068 11.272 -1.493 1.00 0.00 C ATOM 981 C VAL A 63 -7.557 12.432 -2.343 1.00 0.00 C ATOM 982 O VAL A 63 -8.260 13.423 -2.540 1.00 0.00 O ATOM 983 CB VAL A 63 -8.028 11.690 -0.010 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.979 10.835 0.811 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.609 11.600 0.535 1.00 0.00 C ATOM 0 H VAL A 63 -6.560 9.882 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.097 11.043 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.354 12.728 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.937 11.145 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.995 10.959 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.688 9.788 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.602 11.899 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.250 10.574 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.957 12.262 -0.035 1.00 0.00 H new ATOM 995 N SER A 64 -6.332 12.306 -2.844 1.00 0.00 N ATOM 996 CA SER A 64 -5.737 13.351 -3.670 1.00 0.00 C ATOM 997 C SER A 64 -4.806 12.753 -4.719 1.00 0.00 C ATOM 998 O SER A 64 -4.771 11.538 -4.913 1.00 0.00 O ATOM 999 CB SER A 64 -4.971 14.346 -2.797 1.00 0.00 C ATOM 1000 OG SER A 64 -5.033 15.655 -3.340 1.00 0.00 O ATOM 0 H SER A 64 -5.734 11.494 -2.693 1.00 0.00 H new ATOM 0 HA SER A 64 -6.543 13.875 -4.184 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.388 14.347 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.930 14.033 -2.711 1.00 0.00 H new ATOM 0 HG SER A 64 -4.537 16.272 -2.763 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.053 13.616 -5.391 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.121 13.175 -6.420 1.00 0.00 C ATOM 1008 C ALA A 65 -1.815 12.681 -5.805 1.00 0.00 C ATOM 1009 O ALA A 65 -1.143 11.816 -6.366 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.850 14.303 -7.404 1.00 0.00 C ATOM 0 H ALA A 65 -4.070 14.625 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.577 12.342 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.152 13.960 -8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.784 14.606 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.419 15.152 -6.874 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.459 13.237 -4.651 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.231 12.851 -3.965 1.00 0.00 C ATOM 1018 C ASN A 66 -0.511 12.340 -2.552 1.00 0.00 C ATOM 1019 O ASN A 66 0.413 11.969 -1.829 1.00 0.00 O ATOM 1020 CB ASN A 66 0.739 14.036 -3.907 1.00 0.00 C ATOM 1021 CG ASN A 66 1.819 13.972 -4.977 1.00 0.00 C ATOM 1022 OD1 ASN A 66 2.933 14.453 -4.771 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.501 13.378 -6.126 1.00 0.00 N ATOM 0 H ASN A 66 -2.003 13.955 -4.172 1.00 0.00 H new ATOM 0 HA ASN A 66 0.222 12.038 -4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.178 14.964 -4.020 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.210 14.066 -2.924 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.192 13.310 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.567 12.991 -6.259 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.784 12.314 -2.159 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.156 11.838 -0.832 1.00 0.00 C ATOM 1032 C GLU A 67 -2.817 10.468 -0.918 1.00 0.00 C ATOM 1033 O GLU A 67 -3.463 10.139 -1.913 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.096 12.831 -0.147 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.915 12.900 1.360 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.672 14.054 1.986 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -4.009 15.010 1.255 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -3.930 14.004 3.208 1.00 0.00 O ATOM 0 H GLU A 67 -2.568 12.615 -2.737 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.247 11.750 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.934 13.823 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.127 12.555 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.253 11.964 1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.854 12.998 1.591 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.641 9.670 0.127 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.206 8.328 0.172 1.00 0.00 C ATOM 1047 C LEU A 68 -3.872 8.077 1.518 1.00 0.00 C ATOM 1048 O LEU A 68 -3.394 8.543 2.552 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.089 7.305 -0.109 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.276 5.871 0.425 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.470 5.824 1.933 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.435 5.195 -0.282 1.00 0.00 C ATOM 0 H LEU A 68 -2.109 9.930 0.958 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.976 8.223 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.954 7.245 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.162 7.699 0.307 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.355 5.329 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.597 4.789 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.597 6.251 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.356 6.398 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.556 4.183 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.349 5.762 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.234 5.153 -1.352 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.970 7.331 1.504 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.686 7.013 2.732 1.00 0.00 C ATOM 1066 C HIS A 69 -5.880 5.510 2.874 1.00 0.00 C ATOM 1067 O HIS A 69 -6.677 4.905 2.156 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.040 7.714 2.769 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.000 9.056 3.434 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.848 9.805 3.548 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -7.980 9.781 4.025 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -6.121 10.932 4.182 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.406 10.942 4.480 1.00 0.00 N ATOM 0 H HIS A 69 -5.382 6.936 0.659 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.083 7.369 3.567 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.406 7.833 1.749 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.755 7.079 3.292 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.930 9.532 3.198 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.018 9.499 4.120 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.412 11.712 4.416 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.155 4.911 3.811 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.256 3.477 4.051 1.00 0.00 C ATOM 1084 C HIS A 70 -5.204 3.181 5.546 1.00 0.00 C ATOM 1085 O HIS A 70 -4.388 3.747 6.274 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.150 2.723 3.294 1.00 0.00 C ATOM 1087 CG HIS A 70 -2.946 2.361 4.116 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.008 1.557 5.237 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -1.639 2.682 3.962 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.795 1.400 5.733 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -0.946 2.072 4.978 1.00 0.00 N ATOM 0 H HIS A 70 -4.492 5.395 4.416 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.217 3.127 3.673 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.574 1.809 2.878 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.825 3.335 2.453 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.220 3.303 3.184 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.540 0.820 6.608 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.062 2.129 5.126 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.082 2.293 6.001 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.120 1.944 7.409 1.00 0.00 C ATOM 1102 C GLY A 71 -6.239 3.165 8.300 1.00 0.00 C ATOM 1103 O GLY A 71 -5.859 3.129 9.470 1.00 0.00 O ATOM 0 H GLY A 71 -6.767 1.809 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.963 1.278 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.216 1.393 7.669 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.765 4.250 7.740 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.922 5.475 8.498 1.00 0.00 C ATOM 1109 C GLY A 72 -5.639 6.280 8.584 1.00 0.00 C ATOM 1110 O GLY A 72 -5.493 7.129 9.462 1.00 0.00 O ATOM 0 H GLY A 72 -7.085 4.301 6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.699 6.085 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.262 5.233 9.505 1.00 0.00 H new ATOM 1114 N MET A 73 -4.701 6.014 7.675 1.00 0.00 N ATOM 1115 CA MET A 73 -3.431 6.726 7.669 1.00 0.00 C ATOM 1116 C MET A 73 -3.336 7.668 6.473 1.00 0.00 C ATOM 1117 O MET A 73 -4.105 7.556 5.519 1.00 0.00 O ATOM 1118 CB MET A 73 -2.271 5.730 7.635 1.00 0.00 C ATOM 1119 CG MET A 73 -1.606 5.525 8.986 1.00 0.00 C ATOM 1120 SD MET A 73 -2.260 4.099 9.874 1.00 0.00 S ATOM 1121 CE MET A 73 -2.586 4.818 11.480 1.00 0.00 C ATOM 0 H MET A 73 -4.799 5.315 6.939 1.00 0.00 H new ATOM 0 HA MET A 73 -3.372 7.320 8.581 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.637 4.770 7.270 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.525 6.078 6.921 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.533 5.398 8.843 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.743 6.420 9.593 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.996 4.056 12.143 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.658 5.204 11.901 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.303 5.632 11.375 1.00 0.00 H new ATOM 1131 N THR A 74 -2.379 8.585 6.530 1.00 0.00 N ATOM 1132 CA THR A 74 -2.167 9.538 5.449 1.00 0.00 C ATOM 1133 C THR A 74 -0.785 9.337 4.840 1.00 0.00 C ATOM 1134 O THR A 74 0.231 9.656 5.457 1.00 0.00 O ATOM 1135 CB THR A 74 -2.311 10.974 5.958 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.448 11.098 6.794 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.445 11.992 4.846 1.00 0.00 C ATOM 0 H THR A 74 -1.736 8.689 7.315 1.00 0.00 H new ATOM 0 HA THR A 74 -2.924 9.365 4.684 1.00 0.00 H new ATOM 0 HB THR A 74 -1.393 11.179 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.522 12.022 7.111 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.543 12.989 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.560 11.956 4.211 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.329 11.765 4.250 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.756 8.788 3.633 1.00 0.00 N ATOM 1146 CA PHE A 75 0.501 8.522 2.947 1.00 0.00 C ATOM 1147 C PHE A 75 0.697 9.448 1.753 1.00 0.00 C ATOM 1148 O PHE A 75 -0.153 9.529 0.866 1.00 0.00 O ATOM 1149 CB PHE A 75 0.533 7.064 2.493 1.00 0.00 C ATOM 1150 CG PHE A 75 0.944 6.111 3.572 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.282 5.872 3.831 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.014 5.457 4.329 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.659 4.999 4.829 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.359 4.579 5.329 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.697 4.351 5.580 1.00 0.00 C ATOM 0 H PHE A 75 -1.588 8.518 3.109 1.00 0.00 H new ATOM 0 HA PHE A 75 1.317 8.710 3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.455 6.784 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.221 6.968 1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.038 6.374 3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.062 5.635 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.706 4.821 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.395 4.072 5.913 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.992 3.667 6.362 1.00 0.00 H new ATOM 1165 N TYR A 76 1.831 10.137 1.736 1.00 0.00 N ATOM 1166 CA TYR A 76 2.156 11.048 0.647 1.00 0.00 C ATOM 1167 C TYR A 76 3.089 10.363 -0.337 1.00 0.00 C ATOM 1168 O TYR A 76 3.900 9.521 0.047 1.00 0.00 O ATOM 1169 CB TYR A 76 2.792 12.325 1.189 1.00 0.00 C ATOM 1170 CG TYR A 76 1.989 12.956 2.301 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.055 12.458 3.595 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.155 14.038 2.053 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.311 13.024 4.614 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.409 14.609 3.067 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.490 14.097 4.345 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.252 14.661 5.357 1.00 0.00 O ATOM 0 H TYR A 76 2.542 10.082 2.465 1.00 0.00 H new ATOM 0 HA TYR A 76 1.237 11.321 0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.794 12.099 1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.904 13.043 0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.697 11.616 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.088 14.440 1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.373 12.627 5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.234 15.452 2.860 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.777 15.408 5.001 1.00 0.00 H new ATOM 1186 N ARG A 77 2.957 10.705 -1.609 1.00 0.00 N ATOM 1187 CA ARG A 77 3.776 10.092 -2.643 1.00 0.00 C ATOM 1188 C ARG A 77 5.224 10.559 -2.584 1.00 0.00 C ATOM 1189 O ARG A 77 5.508 11.729 -2.335 1.00 0.00 O ATOM 1190 CB ARG A 77 3.205 10.384 -4.027 1.00 0.00 C ATOM 1191 CG ARG A 77 3.678 9.411 -5.097 1.00 0.00 C ATOM 1192 CD ARG A 77 2.562 8.479 -5.537 1.00 0.00 C ATOM 1193 NE ARG A 77 1.420 9.213 -6.079 1.00 0.00 N ATOM 1194 CZ ARG A 77 0.570 8.712 -6.974 1.00 0.00 C ATOM 1195 NH1 ARG A 77 0.720 7.474 -7.427 1.00 0.00 N ATOM 1196 NH2 ARG A 77 -0.437 9.453 -7.415 1.00 0.00 N ATOM 0 H ARG A 77 2.293 11.401 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 77 3.760 9.018 -2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.117 10.354 -3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.483 11.397 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.049 9.968 -5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.513 8.824 -4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.941 7.789 -6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.237 7.876 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 77 1.265 10.167 -5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.491 6.898 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.064 7.099 -8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.560 10.405 -7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.089 9.071 -8.100 1.00 0.00 H new ATOM 1210 N GLU A 78 6.119 9.607 -2.831 1.00 0.00 N ATOM 1211 CA GLU A 78 7.552 9.814 -2.839 1.00 0.00 C ATOM 1212 C GLU A 78 7.994 10.960 -1.961 1.00 0.00 C ATOM 1213 O GLU A 78 7.859 12.137 -2.297 1.00 0.00 O ATOM 1214 CB GLU A 78 8.059 9.986 -4.249 1.00 0.00 C ATOM 1215 CG GLU A 78 7.507 8.951 -5.204 1.00 0.00 C ATOM 1216 CD GLU A 78 7.604 9.376 -6.655 1.00 0.00 C ATOM 1217 OE1 GLU A 78 8.723 9.337 -7.211 1.00 0.00 O ATOM 1218 OE2 GLU A 78 6.564 9.747 -7.237 1.00 0.00 O ATOM 0 H GLU A 78 5.853 8.644 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 78 7.996 8.915 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.793 10.981 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.147 9.928 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.047 8.014 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.463 8.756 -4.957 1.00 0.00 H new