USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 852 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 42 MET CE :methyl -116:sc= -0.545 (180deg=-0.903) USER MOD Set 1.2: A 78 TYR OH : rot 13:sc= 0.0723 USER MOD Set 2.1: A 36 SER OG : rot -156:sc= 0.931 USER MOD Set 2.2: A 44 THR OG1 : rot 145:sc= 1.86 USER MOD Set 3.1: A 21 HIS : no HD1:sc= -0.131 X(o=-1.6,f=-1.1) USER MOD Set 3.2: A 87 HIS : no HD1:sc= -1.77! K(o=-1.6!,f=-4.1) USER MOD Set 3.3: A 89 GLN : amide:sc= 0.276 X(o=-1.6,f=-1.1) USER MOD Set 4.1: A 2 THR OG1 : rot -34:sc= 1.27 USER MOD Set 4.2: A 4 HIS : no HD1:sc= 0.176 K(o=1.4,f=-2.6!) USER MOD Single : A 3 THR OG1 : rot -139:sc= 1.25 USER MOD Single : A 10 GLN : amide:sc= 0.467 K(o=0.47,f=-1.3) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 23 HIS : no HD1:sc= -0.473 K(o=-0.47,f=0.12) USER MOD Single : A 26 ASN : amide:sc= 0.365 K(o=0.36,f=-5!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.4) USER MOD Single : A 35 ASN : amide:sc= -4.66! C(o=-4.7!,f=-4.6!) USER MOD Single : A 37 THR OG1 : rot -20:sc= 0.174 USER MOD Single : A 38 GLN : amide:sc= -0.896 K(o=-0.9,f=-8.7!) USER MOD Single : A 45 MET CE :methyl -170:sc= -0.703 (180deg=-0.919) USER MOD Single : A 52 GLN : amide:sc= -2.49! C(o=-2.5!,f=-7.1!) USER MOD Single : A 59 MET CE :methyl -153:sc= 0 (180deg=-0.257) USER MOD Single : A 60 HIS : no HD1:sc= -1.1 K(o=-1.1,f=0.19) USER MOD Single : A 65 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.0061) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc=-0.00101 (180deg=-0.0998) USER MOD Single : A 67 GLN : amide:sc= -0.0497 X(o=-0.05,f=-0.22) USER MOD Single : A 79 TYR OH : rot 49:sc= 0.287 USER MOD Single : A 81 MET CE :methyl -135:sc= -2.48! (180deg=-3.3!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0393 USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00298) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -16.831 1.675 4.744 1.00 0.00 N ATOM 21 CA THR A 2 -16.492 0.342 5.216 1.00 0.00 C ATOM 22 C THR A 2 -14.999 0.260 5.512 1.00 0.00 C ATOM 23 O THR A 2 -14.274 1.243 5.340 1.00 0.00 O ATOM 24 CB THR A 2 -16.854 -0.738 4.175 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.171 -0.484 2.936 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.355 -0.784 3.931 1.00 0.00 C ATOM 0 HA THR A 2 -17.068 0.158 6.123 1.00 0.00 H new ATOM 0 HB THR A 2 -16.538 -1.703 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.095 0.483 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.580 -1.554 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.868 -1.015 4.864 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.693 0.184 3.560 1.00 0.00 H new ATOM 34 N THR A 3 -14.540 -0.908 5.939 1.00 0.00 N ATOM 35 CA THR A 3 -13.120 -1.144 6.144 1.00 0.00 C ATOM 36 C THR A 3 -12.362 -0.962 4.830 1.00 0.00 C ATOM 37 O THR A 3 -11.223 -0.498 4.812 1.00 0.00 O ATOM 38 CB THR A 3 -12.876 -2.565 6.691 1.00 0.00 C ATOM 39 OG1 THR A 3 -13.632 -2.762 7.894 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.401 -2.805 6.969 1.00 0.00 C ATOM 0 H THR A 3 -15.134 -1.709 6.151 1.00 0.00 H new ATOM 0 HA THR A 3 -12.756 -0.421 6.874 1.00 0.00 H new ATOM 0 HB THR A 3 -13.200 -3.277 5.932 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.085 -3.244 8.549 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.263 -3.816 7.353 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.833 -2.687 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.048 -2.085 7.707 1.00 0.00 H new ATOM 48 N HIS A 4 -13.028 -1.298 3.728 1.00 0.00 N ATOM 49 CA HIS A 4 -12.438 -1.163 2.399 1.00 0.00 C ATOM 50 C HIS A 4 -12.120 0.298 2.107 1.00 0.00 C ATOM 51 O HIS A 4 -11.092 0.618 1.513 1.00 0.00 O ATOM 52 CB HIS A 4 -13.391 -1.709 1.329 1.00 0.00 C ATOM 53 CG HIS A 4 -13.784 -3.137 1.547 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.063 -3.521 1.885 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.058 -4.276 1.484 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.102 -4.833 2.022 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.897 -5.318 1.786 1.00 0.00 N ATOM 0 H HIS A 4 -13.979 -1.667 3.730 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.514 -1.741 2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.290 -1.093 1.307 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -12.917 -1.617 0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.009 -4.351 1.240 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.974 -5.413 2.284 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.634 -6.303 1.822 1.00 0.00 H new ATOM 66 N ASP A 5 -13.006 1.181 2.550 1.00 0.00 N ATOM 67 CA ASP A 5 -12.825 2.613 2.352 1.00 0.00 C ATOM 68 C ASP A 5 -11.637 3.112 3.154 1.00 0.00 C ATOM 69 O ASP A 5 -10.885 3.972 2.699 1.00 0.00 O ATOM 70 CB ASP A 5 -14.080 3.382 2.763 1.00 0.00 C ATOM 71 CG ASP A 5 -15.274 3.051 1.898 1.00 0.00 C ATOM 72 OD1 ASP A 5 -15.442 3.698 0.847 1.00 0.00 O ATOM 73 OD2 ASP A 5 -16.048 2.143 2.272 1.00 0.00 O ATOM 0 H ASP A 5 -13.859 0.930 3.050 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.640 2.784 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.316 3.156 3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.881 4.452 2.707 1.00 0.00 H new ATOM 78 N ARG A 6 -11.466 2.555 4.348 1.00 0.00 N ATOM 79 CA ARG A 6 -10.342 2.903 5.207 1.00 0.00 C ATOM 80 C ARG A 6 -9.029 2.532 4.524 1.00 0.00 C ATOM 81 O ARG A 6 -8.029 3.240 4.647 1.00 0.00 O ATOM 82 CB ARG A 6 -10.465 2.185 6.553 1.00 0.00 C ATOM 83 CG ARG A 6 -11.805 2.410 7.232 1.00 0.00 C ATOM 84 CD ARG A 6 -11.931 1.600 8.512 1.00 0.00 C ATOM 85 NE ARG A 6 -13.285 1.659 9.061 1.00 0.00 N ATOM 86 CZ ARG A 6 -13.623 1.203 10.265 1.00 0.00 C ATOM 87 NH1 ARG A 6 -12.702 0.686 11.071 1.00 0.00 N ATOM 88 NH2 ARG A 6 -14.890 1.252 10.649 1.00 0.00 N ATOM 0 H ARG A 6 -12.096 1.857 4.744 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.352 3.978 5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.317 1.116 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.668 2.527 7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.924 3.469 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.609 2.138 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.664 0.562 8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.223 1.975 9.251 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.016 2.076 8.485 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.729 0.637 10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.968 0.338 11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -15.598 1.637 10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.158 0.905 11.570 1.00 0.00 H new ATOM 102 N VAL A 7 -9.053 1.426 3.786 1.00 0.00 N ATOM 103 CA VAL A 7 -7.896 0.988 3.013 1.00 0.00 C ATOM 104 C VAL A 7 -7.645 1.940 1.848 1.00 0.00 C ATOM 105 O VAL A 7 -6.505 2.295 1.558 1.00 0.00 O ATOM 106 CB VAL A 7 -8.088 -0.445 2.469 1.00 0.00 C ATOM 107 CG1 VAL A 7 -6.848 -0.921 1.726 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.434 -1.400 3.595 1.00 0.00 C ATOM 0 H VAL A 7 -9.865 0.814 3.707 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.036 0.992 3.683 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.917 -0.428 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.012 -1.932 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.648 -0.254 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.994 -0.918 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.566 -2.404 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.627 -1.405 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.358 -1.077 4.075 1.00 0.00 H new ATOM 118 N ARG A 8 -8.723 2.356 1.192 1.00 0.00 N ATOM 119 CA ARG A 8 -8.635 3.307 0.088 1.00 0.00 C ATOM 120 C ARG A 8 -7.993 4.611 0.553 1.00 0.00 C ATOM 121 O ARG A 8 -7.119 5.163 -0.119 1.00 0.00 O ATOM 122 CB ARG A 8 -10.027 3.567 -0.498 1.00 0.00 C ATOM 123 CG ARG A 8 -10.065 4.695 -1.517 1.00 0.00 C ATOM 124 CD ARG A 8 -11.410 4.779 -2.226 1.00 0.00 C ATOM 125 NE ARG A 8 -12.539 4.807 -1.293 1.00 0.00 N ATOM 126 CZ ARG A 8 -13.062 5.924 -0.787 1.00 0.00 C ATOM 127 NH1 ARG A 8 -12.514 7.103 -1.066 1.00 0.00 N ATOM 128 NH2 ARG A 8 -14.128 5.862 0.007 1.00 0.00 N ATOM 0 H ARG A 8 -9.672 2.049 1.406 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.005 2.879 -0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.389 2.653 -0.969 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.715 3.801 0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.859 5.642 -1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.276 4.545 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.434 5.675 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.518 3.925 -2.895 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.950 3.917 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.692 7.154 -1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.915 7.957 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.546 4.959 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.527 6.718 0.393 1.00 0.00 H new ATOM 142 N LEU A 9 -8.420 5.083 1.718 1.00 0.00 N ATOM 143 CA LEU A 9 -7.844 6.279 2.322 1.00 0.00 C ATOM 144 C LEU A 9 -6.375 6.048 2.676 1.00 0.00 C ATOM 145 O LEU A 9 -5.548 6.951 2.564 1.00 0.00 O ATOM 146 CB LEU A 9 -8.631 6.668 3.577 1.00 0.00 C ATOM 147 CG LEU A 9 -10.123 6.938 3.356 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.814 7.237 4.676 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.322 8.088 2.381 1.00 0.00 C ATOM 0 H LEU A 9 -9.166 4.654 2.265 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.903 7.093 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.528 5.870 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.177 7.560 4.009 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.571 6.042 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.873 7.426 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.705 6.383 5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.360 8.116 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.388 8.263 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.857 8.989 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.864 7.837 1.424 1.00 0.00 H new ATOM 161 N GLN A 10 -6.058 4.826 3.085 1.00 0.00 N ATOM 162 CA GLN A 10 -4.694 4.466 3.456 1.00 0.00 C ATOM 163 C GLN A 10 -3.790 4.427 2.223 1.00 0.00 C ATOM 164 O GLN A 10 -2.606 4.757 2.297 1.00 0.00 O ATOM 165 CB GLN A 10 -4.681 3.117 4.178 1.00 0.00 C ATOM 166 CG GLN A 10 -3.327 2.731 4.752 1.00 0.00 C ATOM 167 CD GLN A 10 -2.772 3.778 5.698 1.00 0.00 C ATOM 168 OE1 GLN A 10 -3.520 4.504 6.356 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.455 3.854 5.774 1.00 0.00 N ATOM 0 H GLN A 10 -6.730 4.064 3.169 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.307 5.227 4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.412 3.143 4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.003 2.342 3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.418 1.782 5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.622 2.575 3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.875 3.232 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.018 4.534 6.396 1.00 0.00 H new ATOM 178 N LEU A 11 -4.355 4.032 1.089 1.00 0.00 N ATOM 179 CA LEU A 11 -3.632 4.076 -0.175 1.00 0.00 C ATOM 180 C LEU A 11 -3.264 5.515 -0.505 1.00 0.00 C ATOM 181 O LEU A 11 -2.169 5.798 -0.989 1.00 0.00 O ATOM 182 CB LEU A 11 -4.478 3.485 -1.306 1.00 0.00 C ATOM 183 CG LEU A 11 -4.829 2.004 -1.159 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.724 1.558 -2.302 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.567 1.156 -1.106 1.00 0.00 C ATOM 0 H LEU A 11 -5.309 3.678 1.019 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.724 3.480 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.404 4.055 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.944 3.623 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.370 1.869 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.966 0.502 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.643 2.144 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.206 1.708 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.839 0.106 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.997 1.294 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.960 1.460 -0.254 1.00 0.00 H new ATOM 197 N GLN A 12 -4.185 6.425 -0.212 1.00 0.00 N ATOM 198 CA GLN A 12 -3.967 7.846 -0.445 1.00 0.00 C ATOM 199 C GLN A 12 -3.013 8.422 0.599 1.00 0.00 C ATOM 200 O GLN A 12 -2.471 9.514 0.427 1.00 0.00 O ATOM 201 CB GLN A 12 -5.300 8.592 -0.436 1.00 0.00 C ATOM 202 CG GLN A 12 -6.284 8.061 -1.464 1.00 0.00 C ATOM 203 CD GLN A 12 -7.594 8.819 -1.472 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.529 8.481 -0.744 1.00 0.00 O ATOM 205 NE2 GLN A 12 -7.678 9.844 -2.302 1.00 0.00 N ATOM 0 H GLN A 12 -5.095 6.201 0.190 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.508 7.973 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.745 8.518 0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.119 9.650 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.832 8.116 -2.454 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.480 7.008 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.881 10.092 -2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.540 10.387 -2.356 1.00 0.00 H new ATOM 214 N ALA A 13 -2.815 7.684 1.687 1.00 0.00 N ATOM 215 CA ALA A 13 -1.815 8.041 2.682 1.00 0.00 C ATOM 216 C ALA A 13 -0.424 7.695 2.162 1.00 0.00 C ATOM 217 O ALA A 13 0.525 8.461 2.333 1.00 0.00 O ATOM 218 CB ALA A 13 -2.090 7.335 4.001 1.00 0.00 C ATOM 0 H ALA A 13 -3.336 6.834 1.900 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.866 9.115 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.330 7.617 4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.073 7.626 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.064 6.256 3.848 1.00 0.00 H new ATOM 224 N LEU A 14 -0.318 6.536 1.518 1.00 0.00 N ATOM 225 CA LEU A 14 0.913 6.144 0.836 1.00 0.00 C ATOM 226 C LEU A 14 1.210 7.132 -0.284 1.00 0.00 C ATOM 227 O LEU A 14 2.349 7.548 -0.481 1.00 0.00 O ATOM 228 CB LEU A 14 0.778 4.732 0.258 1.00 0.00 C ATOM 229 CG LEU A 14 0.564 3.621 1.287 1.00 0.00 C ATOM 230 CD1 LEU A 14 0.195 2.317 0.594 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.815 3.434 2.129 1.00 0.00 C ATOM 0 H LEU A 14 -1.071 5.851 1.454 1.00 0.00 H new ATOM 0 HA LEU A 14 1.732 6.149 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.058 4.722 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.677 4.505 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.258 3.910 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.046 1.537 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.725 2.455 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.999 2.024 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.648 2.640 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.651 3.165 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.044 4.363 2.651 1.00 0.00 H new ATOM 243 N GLU A 15 0.154 7.502 -0.998 1.00 0.00 N ATOM 244 CA GLU A 15 0.219 8.507 -2.050 1.00 0.00 C ATOM 245 C GLU A 15 0.810 9.813 -1.514 1.00 0.00 C ATOM 246 O GLU A 15 1.725 10.384 -2.108 1.00 0.00 O ATOM 247 CB GLU A 15 -1.192 8.739 -2.593 1.00 0.00 C ATOM 248 CG GLU A 15 -1.287 9.763 -3.706 1.00 0.00 C ATOM 249 CD GLU A 15 -2.715 9.941 -4.176 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.173 9.136 -5.010 1.00 0.00 O ATOM 251 OE2 GLU A 15 -3.394 10.869 -3.695 1.00 0.00 O ATOM 0 H GLU A 15 -0.778 7.110 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 15 0.868 8.155 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.586 7.790 -2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.834 9.056 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.896 10.719 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.663 9.450 -4.544 1.00 0.00 H new ATOM 258 N ALA A 16 0.290 10.263 -0.375 1.00 0.00 N ATOM 259 CA ALA A 16 0.784 11.474 0.269 1.00 0.00 C ATOM 260 C ALA A 16 2.259 11.333 0.631 1.00 0.00 C ATOM 261 O ALA A 16 3.047 12.259 0.443 1.00 0.00 O ATOM 262 CB ALA A 16 -0.038 11.792 1.509 1.00 0.00 C ATOM 0 H ALA A 16 -0.475 9.805 0.121 1.00 0.00 H new ATOM 0 HA ALA A 16 0.683 12.299 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.345 12.699 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.080 11.942 1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.031 10.963 2.214 1.00 0.00 H new ATOM 268 N LEU A 17 2.633 10.158 1.127 1.00 0.00 N ATOM 269 CA LEU A 17 4.019 9.887 1.491 1.00 0.00 C ATOM 270 C LEU A 17 4.918 9.945 0.259 1.00 0.00 C ATOM 271 O LEU A 17 6.034 10.470 0.313 1.00 0.00 O ATOM 272 CB LEU A 17 4.146 8.508 2.138 1.00 0.00 C ATOM 273 CG LEU A 17 5.518 8.208 2.742 1.00 0.00 C ATOM 274 CD1 LEU A 17 5.612 8.759 4.154 1.00 0.00 C ATOM 275 CD2 LEU A 17 5.800 6.718 2.718 1.00 0.00 C ATOM 0 H LEU A 17 1.995 9.378 1.286 1.00 0.00 H new ATOM 0 HA LEU A 17 4.332 10.650 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.393 8.418 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.920 7.749 1.389 1.00 0.00 H new ATOM 0 HG LEU A 17 6.277 8.703 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.596 8.536 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.464 9.839 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.844 8.299 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.781 6.526 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.039 6.194 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.783 6.361 1.688 1.00 0.00 H new ATOM 287 N LEU A 18 4.418 9.406 -0.847 1.00 0.00 N ATOM 288 CA LEU A 18 5.163 9.381 -2.098 1.00 0.00 C ATOM 289 C LEU A 18 5.085 10.729 -2.807 1.00 0.00 C ATOM 290 O LEU A 18 5.656 10.912 -3.877 1.00 0.00 O ATOM 291 CB LEU A 18 4.644 8.266 -3.007 1.00 0.00 C ATOM 292 CG LEU A 18 4.864 6.847 -2.481 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.274 5.826 -3.439 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.347 6.580 -2.267 1.00 0.00 C ATOM 0 H LEU A 18 3.494 8.978 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 18 6.209 9.182 -1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.576 8.416 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.128 8.356 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 18 4.355 6.754 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.440 4.822 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.203 6.002 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.755 5.920 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.484 5.566 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.877 6.692 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.744 7.291 -1.542 1.00 0.00 H new ATOM 306 N ARG A 19 4.345 11.660 -2.225 1.00 0.00 N ATOM 307 CA ARG A 19 4.409 13.044 -2.659 1.00 0.00 C ATOM 308 C ARG A 19 5.407 13.790 -1.786 1.00 0.00 C ATOM 309 O ARG A 19 6.193 14.600 -2.274 1.00 0.00 O ATOM 310 CB ARG A 19 3.040 13.720 -2.582 1.00 0.00 C ATOM 311 CG ARG A 19 3.019 15.088 -3.240 1.00 0.00 C ATOM 312 CD ARG A 19 1.701 15.802 -3.014 1.00 0.00 C ATOM 313 NE ARG A 19 1.519 16.183 -1.615 1.00 0.00 N ATOM 314 CZ ARG A 19 0.390 16.669 -1.114 1.00 0.00 C ATOM 315 NH1 ARG A 19 -0.673 16.843 -1.893 1.00 0.00 N ATOM 316 NH2 ARG A 19 0.333 16.990 0.175 1.00 0.00 N ATOM 0 H ARG A 19 3.698 11.483 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 19 4.729 13.067 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.297 13.081 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.748 13.821 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.833 15.694 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.194 14.979 -4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.659 16.693 -3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.880 15.155 -3.324 1.00 0.00 H new ATOM 0 HE ARG A 19 2.311 16.068 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.625 16.603 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.537 17.217 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.152 16.862 0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.530 17.364 0.570 1.00 0.00 H new ATOM 330 N GLU A 20 5.360 13.504 -0.485 1.00 0.00 N ATOM 331 CA GLU A 20 6.313 14.059 0.468 1.00 0.00 C ATOM 332 C GLU A 20 7.738 13.697 0.078 1.00 0.00 C ATOM 333 O GLU A 20 8.561 14.566 -0.210 1.00 0.00 O ATOM 334 CB GLU A 20 6.050 13.528 1.879 1.00 0.00 C ATOM 335 CG GLU A 20 4.794 14.064 2.538 1.00 0.00 C ATOM 336 CD GLU A 20 4.660 13.568 3.962 1.00 0.00 C ATOM 337 OE1 GLU A 20 5.504 13.949 4.802 1.00 0.00 O ATOM 338 OE2 GLU A 20 3.745 12.767 4.239 1.00 0.00 O ATOM 0 H GLU A 20 4.665 12.886 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 20 6.188 15.142 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.985 12.441 1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.906 13.772 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.815 15.154 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.921 13.759 1.962 1.00 0.00 H new ATOM 345 N HIS A 21 8.020 12.401 0.063 1.00 0.00 N ATOM 346 CA HIS A 21 9.366 11.922 -0.216 1.00 0.00 C ATOM 347 C HIS A 21 9.525 11.633 -1.699 1.00 0.00 C ATOM 348 O HIS A 21 10.577 11.171 -2.139 1.00 0.00 O ATOM 349 CB HIS A 21 9.673 10.666 0.605 1.00 0.00 C ATOM 350 CG HIS A 21 9.530 10.874 2.082 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.529 11.387 2.873 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.481 10.650 2.906 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.106 11.472 4.119 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.861 11.032 4.169 1.00 0.00 N ATOM 0 H HIS A 21 7.336 11.665 0.240 1.00 0.00 H new ATOM 0 HA HIS A 21 10.074 12.701 0.068 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.005 9.863 0.292 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.690 10.338 0.388 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.521 10.245 2.623 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.680 11.839 4.957 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.280 10.984 5.006 1.00 0.00 H new ATOM 363 N GLN A 22 8.468 11.926 -2.454 1.00 0.00 N ATOM 364 CA GLN A 22 8.443 11.717 -3.897 1.00 0.00 C ATOM 365 C GLN A 22 8.720 10.251 -4.243 1.00 0.00 C ATOM 366 O GLN A 22 8.205 9.357 -3.568 1.00 0.00 O ATOM 367 CB GLN A 22 9.423 12.673 -4.583 1.00 0.00 C ATOM 368 CG GLN A 22 9.105 14.134 -4.296 1.00 0.00 C ATOM 369 CD GLN A 22 10.000 15.096 -5.044 1.00 0.00 C ATOM 370 OE1 GLN A 22 11.158 14.792 -5.335 1.00 0.00 O ATOM 371 NE2 GLN A 22 9.474 16.269 -5.354 1.00 0.00 N ATOM 0 H GLN A 22 7.603 12.316 -2.079 1.00 0.00 H new ATOM 0 HA GLN A 22 7.445 11.943 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.437 12.452 -4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.399 12.503 -5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.067 14.332 -4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.200 14.316 -3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.511 16.481 -5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.032 16.962 -5.853 1.00 0.00 H new ATOM 380 N HIS A 23 9.514 10.017 -5.292 1.00 0.00 N ATOM 381 CA HIS A 23 9.789 8.671 -5.819 1.00 0.00 C ATOM 382 C HIS A 23 8.653 8.178 -6.707 1.00 0.00 C ATOM 383 O HIS A 23 8.884 7.384 -7.613 1.00 0.00 O ATOM 384 CB HIS A 23 10.061 7.639 -4.715 1.00 0.00 C ATOM 385 CG HIS A 23 11.400 7.775 -4.068 1.00 0.00 C ATOM 386 ND1 HIS A 23 12.518 7.132 -4.538 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.801 8.479 -2.986 1.00 0.00 C ATOM 388 CE1 HIS A 23 13.549 7.431 -3.779 1.00 0.00 C ATOM 389 NE2 HIS A 23 13.148 8.252 -2.825 1.00 0.00 N ATOM 0 H HIS A 23 9.989 10.760 -5.805 1.00 0.00 H new ATOM 0 HA HIS A 23 10.697 8.768 -6.414 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.289 7.729 -3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.974 6.638 -5.139 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.179 9.104 -2.363 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.557 7.066 -3.913 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.737 8.650 -2.093 1.00 0.00 H new ATOM 398 N TRP A 24 7.437 8.655 -6.444 1.00 0.00 N ATOM 399 CA TRP A 24 6.258 8.260 -7.214 1.00 0.00 C ATOM 400 C TRP A 24 6.465 8.518 -8.702 1.00 0.00 C ATOM 401 O TRP A 24 6.447 9.666 -9.156 1.00 0.00 O ATOM 402 CB TRP A 24 5.020 9.018 -6.712 1.00 0.00 C ATOM 403 CG TRP A 24 3.761 8.728 -7.484 1.00 0.00 C ATOM 404 CD1 TRP A 24 3.225 9.488 -8.484 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.877 7.612 -7.314 1.00 0.00 C ATOM 406 NE1 TRP A 24 2.066 8.914 -8.947 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.831 7.762 -8.245 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.868 6.500 -6.469 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.788 6.844 -8.351 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.832 5.590 -6.576 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.806 5.766 -7.511 1.00 0.00 C ATOM 0 H TRP A 24 7.242 9.321 -5.697 1.00 0.00 H new ATOM 0 HA TRP A 24 6.102 7.190 -7.073 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.855 8.768 -5.664 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.221 10.088 -6.756 1.00 0.00 H new ATOM 0 HD1 TRP A 24 3.651 10.408 -8.857 1.00 0.00 H new ATOM 0 HE1 TRP A 24 1.477 9.285 -9.692 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.656 6.353 -5.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.006 6.979 -9.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.815 4.728 -5.926 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.013 5.036 -7.570 1.00 0.00 H new ATOM 422 N ARG A 25 6.693 7.448 -9.446 1.00 0.00 N ATOM 423 CA ARG A 25 6.848 7.537 -10.885 1.00 0.00 C ATOM 424 C ARG A 25 5.505 7.815 -11.553 1.00 0.00 C ATOM 425 O ARG A 25 4.532 7.086 -11.359 1.00 0.00 O ATOM 426 CB ARG A 25 7.467 6.248 -11.442 1.00 0.00 C ATOM 427 CG ARG A 25 6.660 4.998 -11.132 1.00 0.00 C ATOM 428 CD ARG A 25 7.331 3.745 -11.664 1.00 0.00 C ATOM 429 NE ARG A 25 6.532 2.553 -11.382 1.00 0.00 N ATOM 430 CZ ARG A 25 6.750 1.360 -11.931 1.00 0.00 C ATOM 431 NH1 ARG A 25 7.771 1.178 -12.761 1.00 0.00 N ATOM 432 NH2 ARG A 25 5.958 0.341 -11.628 1.00 0.00 N ATOM 0 H ARG A 25 6.775 6.503 -9.072 1.00 0.00 H new ATOM 0 HA ARG A 25 7.521 8.366 -11.106 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.571 6.343 -12.523 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.471 6.132 -11.034 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.528 4.909 -10.054 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.665 5.090 -11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.481 3.839 -12.740 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.318 3.639 -11.213 1.00 0.00 H new ATOM 0 HE ARG A 25 5.759 2.641 -10.723 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.394 1.955 -12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.932 0.261 -13.178 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.185 0.472 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.122 -0.574 -12.047 1.00 0.00 H new ATOM 446 N ASN A 26 5.459 8.882 -12.328 1.00 0.00 N ATOM 447 CA ASN A 26 4.258 9.250 -13.069 1.00 0.00 C ATOM 448 C ASN A 26 4.409 8.839 -14.527 1.00 0.00 C ATOM 449 O ASN A 26 3.668 9.289 -15.402 1.00 0.00 O ATOM 450 CB ASN A 26 4.003 10.760 -12.965 1.00 0.00 C ATOM 451 CG ASN A 26 5.126 11.595 -13.559 1.00 0.00 C ATOM 452 OD1 ASN A 26 6.288 11.185 -13.573 1.00 0.00 O ATOM 453 ND2 ASN A 26 4.796 12.787 -14.029 1.00 0.00 N ATOM 0 H ASN A 26 6.245 9.517 -12.464 1.00 0.00 H new ATOM 0 HA ASN A 26 3.403 8.729 -12.638 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.070 11.001 -13.474 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.873 11.029 -11.917 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.514 13.398 -14.419 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.824 13.095 -14.002 1.00 0.00 H new ATOM 460 N ASP A 27 5.375 7.968 -14.773 1.00 0.00 N ATOM 461 CA ASP A 27 5.676 7.500 -16.118 1.00 0.00 C ATOM 462 C ASP A 27 5.831 5.989 -16.130 1.00 0.00 C ATOM 463 O ASP A 27 6.484 5.420 -15.254 1.00 0.00 O ATOM 464 CB ASP A 27 6.955 8.163 -16.634 1.00 0.00 C ATOM 465 CG ASP A 27 7.401 7.619 -17.976 1.00 0.00 C ATOM 466 OD1 ASP A 27 6.682 7.823 -18.975 1.00 0.00 O ATOM 467 OD2 ASP A 27 8.478 6.986 -18.038 1.00 0.00 O ATOM 0 H ASP A 27 5.971 7.566 -14.049 1.00 0.00 H new ATOM 0 HA ASP A 27 4.848 7.772 -16.773 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.792 9.237 -16.719 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.753 8.018 -15.906 1.00 0.00 H new ATOM 472 N GLU A 28 5.210 5.349 -17.106 1.00 0.00 N ATOM 473 CA GLU A 28 5.327 3.911 -17.278 1.00 0.00 C ATOM 474 C GLU A 28 6.462 3.604 -18.248 1.00 0.00 C ATOM 475 O GLU A 28 6.349 3.864 -19.448 1.00 0.00 O ATOM 476 CB GLU A 28 4.011 3.330 -17.796 1.00 0.00 C ATOM 477 CG GLU A 28 2.854 3.503 -16.825 1.00 0.00 C ATOM 478 CD GLU A 28 1.517 3.123 -17.425 1.00 0.00 C ATOM 479 OE1 GLU A 28 1.155 1.928 -17.396 1.00 0.00 O ATOM 480 OE2 GLU A 28 0.809 4.025 -17.921 1.00 0.00 O ATOM 0 H GLU A 28 4.615 5.807 -17.796 1.00 0.00 H new ATOM 0 HA GLU A 28 5.548 3.452 -16.314 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.757 3.809 -18.742 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.147 2.269 -18.003 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.035 2.893 -15.940 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.816 4.541 -16.495 1.00 0.00 H new ATOM 487 N PRO A 29 7.580 3.076 -17.733 1.00 0.00 N ATOM 488 CA PRO A 29 8.768 2.793 -18.542 1.00 0.00 C ATOM 489 C PRO A 29 8.497 1.757 -19.628 1.00 0.00 C ATOM 490 O PRO A 29 8.630 2.043 -20.819 1.00 0.00 O ATOM 491 CB PRO A 29 9.788 2.254 -17.529 1.00 0.00 C ATOM 492 CG PRO A 29 9.278 2.681 -16.197 1.00 0.00 C ATOM 493 CD PRO A 29 7.783 2.717 -16.321 1.00 0.00 C ATOM 0 HA PRO A 29 9.112 3.681 -19.072 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.868 1.169 -17.591 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.782 2.658 -17.718 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.589 1.984 -15.418 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.671 3.660 -15.924 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.334 1.753 -16.080 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.339 3.452 -15.649 1.00 0.00 H new ATOM 501 N GLN A 30 8.103 0.560 -19.213 1.00 0.00 N ATOM 502 CA GLN A 30 7.863 -0.533 -20.144 1.00 0.00 C ATOM 503 C GLN A 30 6.616 -1.312 -19.763 1.00 0.00 C ATOM 504 O GLN A 30 6.381 -1.580 -18.588 1.00 0.00 O ATOM 505 CB GLN A 30 9.045 -1.502 -20.159 1.00 0.00 C ATOM 506 CG GLN A 30 10.314 -0.939 -20.758 1.00 0.00 C ATOM 507 CD GLN A 30 11.442 -1.945 -20.715 1.00 0.00 C ATOM 508 OE1 GLN A 30 12.213 -1.992 -19.757 1.00 0.00 O ATOM 509 NE2 GLN A 30 11.527 -2.775 -21.738 1.00 0.00 N ATOM 0 H GLN A 30 7.943 0.322 -18.234 1.00 0.00 H new ATOM 0 HA GLN A 30 7.732 -0.089 -21.131 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.251 -1.819 -19.137 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.760 -2.394 -20.718 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.129 -0.642 -21.790 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.606 -0.040 -20.215 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.866 -2.700 -22.512 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.253 -3.491 -21.755 1.00 0.00 H new ATOM 518 N PRO A 31 5.806 -1.698 -20.756 1.00 0.00 N ATOM 519 CA PRO A 31 4.697 -2.626 -20.547 1.00 0.00 C ATOM 520 C PRO A 31 5.224 -4.033 -20.284 1.00 0.00 C ATOM 521 O PRO A 31 4.575 -4.857 -19.641 1.00 0.00 O ATOM 522 CB PRO A 31 3.917 -2.580 -21.871 1.00 0.00 C ATOM 523 CG PRO A 31 4.482 -1.428 -22.637 1.00 0.00 C ATOM 524 CD PRO A 31 5.888 -1.252 -22.151 1.00 0.00 C ATOM 0 HA PRO A 31 4.081 -2.360 -19.688 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.032 -3.512 -22.425 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.850 -2.445 -21.692 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.463 -1.626 -23.709 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.896 -0.524 -22.469 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.593 -1.851 -22.727 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.215 -0.215 -22.226 1.00 0.00 H new ATOM 532 N HIS A 32 6.439 -4.281 -20.772 1.00 0.00 N ATOM 533 CA HIS A 32 7.104 -5.568 -20.604 1.00 0.00 C ATOM 534 C HIS A 32 7.479 -5.799 -19.143 1.00 0.00 C ATOM 535 O HIS A 32 7.663 -6.937 -18.714 1.00 0.00 O ATOM 536 CB HIS A 32 8.346 -5.629 -21.499 1.00 0.00 C ATOM 537 CG HIS A 32 9.064 -6.948 -21.481 1.00 0.00 C ATOM 538 ND1 HIS A 32 8.812 -7.950 -22.388 1.00 0.00 N ATOM 539 CD2 HIS A 32 10.035 -7.422 -20.665 1.00 0.00 C ATOM 540 CE1 HIS A 32 9.588 -8.982 -22.130 1.00 0.00 C ATOM 541 NE2 HIS A 32 10.342 -8.688 -21.088 1.00 0.00 N ATOM 0 H HIS A 32 6.987 -3.596 -21.293 1.00 0.00 H new ATOM 0 HA HIS A 32 6.416 -6.360 -20.900 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.051 -5.405 -22.524 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.040 -4.848 -21.189 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.484 -6.899 -19.834 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.604 -9.912 -22.679 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.039 -9.302 -20.667 1.00 0.00 H new ATOM 550 N GLN A 33 7.567 -4.717 -18.379 1.00 0.00 N ATOM 551 CA GLN A 33 7.870 -4.806 -16.955 1.00 0.00 C ATOM 552 C GLN A 33 6.751 -5.534 -16.217 1.00 0.00 C ATOM 553 O GLN A 33 6.947 -6.027 -15.105 1.00 0.00 O ATOM 554 CB GLN A 33 8.067 -3.409 -16.360 1.00 0.00 C ATOM 555 CG GLN A 33 9.335 -2.709 -16.825 1.00 0.00 C ATOM 556 CD GLN A 33 9.481 -1.316 -16.237 1.00 0.00 C ATOM 557 OE1 GLN A 33 8.493 -0.637 -15.972 1.00 0.00 O ATOM 558 NE2 GLN A 33 10.714 -0.884 -16.029 1.00 0.00 N ATOM 0 H GLN A 33 7.433 -3.766 -18.722 1.00 0.00 H new ATOM 0 HA GLN A 33 8.795 -5.371 -16.837 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.208 -2.791 -16.619 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.086 -3.488 -15.273 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.201 -3.310 -16.546 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.331 -2.642 -17.913 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.509 -1.479 -16.263 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.870 0.044 -15.635 1.00 0.00 H new ATOM 567 N PHE A 34 5.586 -5.603 -16.852 1.00 0.00 N ATOM 568 CA PHE A 34 4.429 -6.268 -16.276 1.00 0.00 C ATOM 569 C PHE A 34 4.219 -7.640 -16.912 1.00 0.00 C ATOM 570 O PHE A 34 3.430 -8.447 -16.421 1.00 0.00 O ATOM 571 CB PHE A 34 3.180 -5.407 -16.473 1.00 0.00 C ATOM 572 CG PHE A 34 3.317 -4.015 -15.923 1.00 0.00 C ATOM 573 CD1 PHE A 34 3.136 -3.767 -14.573 1.00 0.00 C ATOM 574 CD2 PHE A 34 3.626 -2.951 -16.760 1.00 0.00 C ATOM 575 CE1 PHE A 34 3.262 -2.489 -14.065 1.00 0.00 C ATOM 576 CE2 PHE A 34 3.754 -1.670 -16.257 1.00 0.00 C ATOM 577 CZ PHE A 34 3.571 -1.439 -14.907 1.00 0.00 C ATOM 0 H PHE A 34 5.420 -5.201 -17.775 1.00 0.00 H new ATOM 0 HA PHE A 34 4.608 -6.406 -15.210 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.954 -5.348 -17.538 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.332 -5.896 -15.994 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.893 -4.583 -13.909 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.768 -3.126 -17.816 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.119 -2.311 -13.009 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.997 -0.851 -16.918 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.669 -0.439 -14.511 1.00 0.00 H new ATOM 587 N ASN A 35 4.942 -7.906 -17.997 1.00 0.00 N ATOM 588 CA ASN A 35 4.795 -9.163 -18.730 1.00 0.00 C ATOM 589 C ASN A 35 5.439 -10.309 -17.981 1.00 0.00 C ATOM 590 O ASN A 35 5.113 -11.473 -18.213 1.00 0.00 O ATOM 591 CB ASN A 35 5.395 -9.061 -20.135 1.00 0.00 C ATOM 592 CG ASN A 35 4.633 -8.112 -21.040 1.00 0.00 C ATOM 593 OD1 ASN A 35 5.213 -7.484 -21.923 1.00 0.00 O ATOM 594 ND2 ASN A 35 3.328 -8.005 -20.840 1.00 0.00 N ATOM 0 H ASN A 35 5.636 -7.269 -18.389 1.00 0.00 H new ATOM 0 HA ASN A 35 3.727 -9.359 -18.822 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.430 -8.728 -20.058 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.412 -10.052 -20.589 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.771 -7.386 -21.429 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.880 -8.542 -20.097 1.00 0.00 H new ATOM 601 N SER A 36 6.353 -9.983 -17.083 1.00 0.00 N ATOM 602 CA SER A 36 6.922 -10.978 -16.198 1.00 0.00 C ATOM 603 C SER A 36 5.811 -11.582 -15.348 1.00 0.00 C ATOM 604 O SER A 36 5.844 -12.764 -14.999 1.00 0.00 O ATOM 605 CB SER A 36 7.989 -10.332 -15.320 1.00 0.00 C ATOM 606 OG SER A 36 7.497 -9.138 -14.735 1.00 0.00 O ATOM 0 H SER A 36 6.715 -9.039 -16.950 1.00 0.00 H new ATOM 0 HA SER A 36 7.392 -11.772 -16.779 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.295 -11.027 -14.538 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.875 -10.113 -15.916 1.00 0.00 H new ATOM 0 HG SER A 36 8.249 -8.555 -14.500 1.00 0.00 H new ATOM 612 N THR A 37 4.809 -10.747 -15.059 1.00 0.00 N ATOM 613 CA THR A 37 3.628 -11.155 -14.323 1.00 0.00 C ATOM 614 C THR A 37 4.025 -11.841 -13.015 1.00 0.00 C ATOM 615 O THR A 37 3.778 -13.031 -12.798 1.00 0.00 O ATOM 616 CB THR A 37 2.735 -12.064 -15.195 1.00 0.00 C ATOM 617 OG1 THR A 37 2.549 -11.455 -16.482 1.00 0.00 O ATOM 618 CG2 THR A 37 1.377 -12.295 -14.546 1.00 0.00 C ATOM 0 H THR A 37 4.803 -9.765 -15.335 1.00 0.00 H new ATOM 0 HA THR A 37 3.047 -10.269 -14.069 1.00 0.00 H new ATOM 0 HB THR A 37 3.231 -13.029 -15.301 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.736 -10.495 -16.420 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.773 -12.939 -15.185 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.514 -12.773 -13.576 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.871 -11.339 -14.412 1.00 0.00 H new ATOM 626 N GLN A 38 4.693 -11.070 -12.167 1.00 0.00 N ATOM 627 CA GLN A 38 5.177 -11.555 -10.885 1.00 0.00 C ATOM 628 C GLN A 38 4.438 -10.836 -9.763 1.00 0.00 C ATOM 629 O GLN A 38 3.893 -9.757 -9.985 1.00 0.00 O ATOM 630 CB GLN A 38 6.685 -11.306 -10.768 1.00 0.00 C ATOM 631 CG GLN A 38 7.480 -11.821 -11.956 1.00 0.00 C ATOM 632 CD GLN A 38 8.968 -11.565 -11.827 1.00 0.00 C ATOM 633 OE1 GLN A 38 9.659 -11.350 -12.819 1.00 0.00 O ATOM 634 NE2 GLN A 38 9.479 -11.603 -10.607 1.00 0.00 N ATOM 0 H GLN A 38 4.914 -10.091 -12.350 1.00 0.00 H new ATOM 0 HA GLN A 38 4.993 -12.627 -10.808 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.861 -10.236 -10.660 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.054 -11.783 -9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.309 -12.892 -12.064 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.113 -11.346 -12.866 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.874 -11.784 -9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.478 -11.451 -10.468 1.00 0.00 H new ATOM 643 N PRO A 39 4.417 -11.410 -8.548 1.00 0.00 N ATOM 644 CA PRO A 39 3.702 -10.823 -7.404 1.00 0.00 C ATOM 645 C PRO A 39 4.111 -9.379 -7.127 1.00 0.00 C ATOM 646 O PRO A 39 3.268 -8.521 -6.885 1.00 0.00 O ATOM 647 CB PRO A 39 4.105 -11.721 -6.233 1.00 0.00 C ATOM 648 CG PRO A 39 4.477 -13.020 -6.856 1.00 0.00 C ATOM 649 CD PRO A 39 5.073 -12.682 -8.192 1.00 0.00 C ATOM 0 HA PRO A 39 2.628 -10.781 -7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.941 -11.295 -5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.283 -11.842 -5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.192 -13.560 -6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.604 -13.663 -6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.156 -12.573 -8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.871 -13.458 -8.930 1.00 0.00 H new ATOM 657 N PHE A 40 5.410 -9.123 -7.170 1.00 0.00 N ATOM 658 CA PHE A 40 5.935 -7.784 -6.912 1.00 0.00 C ATOM 659 C PHE A 40 6.717 -7.263 -8.113 1.00 0.00 C ATOM 660 O PHE A 40 7.220 -6.142 -8.093 1.00 0.00 O ATOM 661 CB PHE A 40 6.850 -7.792 -5.683 1.00 0.00 C ATOM 662 CG PHE A 40 6.184 -8.264 -4.423 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.515 -7.375 -3.600 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.240 -9.596 -4.055 1.00 0.00 C ATOM 665 CE1 PHE A 40 4.912 -7.806 -2.435 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.638 -10.035 -2.895 1.00 0.00 C ATOM 667 CZ PHE A 40 4.975 -9.141 -2.082 1.00 0.00 C ATOM 0 H PHE A 40 6.122 -9.822 -7.381 1.00 0.00 H new ATOM 0 HA PHE A 40 5.085 -7.127 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.709 -8.431 -5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.233 -6.784 -5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.464 -6.331 -3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.762 -10.301 -4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.393 -7.102 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.686 -11.079 -2.623 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.506 -9.483 -1.171 1.00 0.00 H new ATOM 677 N PHE A 41 6.810 -8.091 -9.158 1.00 0.00 N ATOM 678 CA PHE A 41 7.627 -7.777 -10.336 1.00 0.00 C ATOM 679 C PHE A 41 9.055 -7.439 -9.913 1.00 0.00 C ATOM 680 O PHE A 41 9.721 -6.614 -10.536 1.00 0.00 O ATOM 681 CB PHE A 41 7.026 -6.603 -11.120 1.00 0.00 C ATOM 682 CG PHE A 41 5.607 -6.819 -11.563 1.00 0.00 C ATOM 683 CD1 PHE A 41 5.322 -7.598 -12.671 1.00 0.00 C ATOM 684 CD2 PHE A 41 4.559 -6.233 -10.873 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.018 -7.790 -13.082 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.253 -6.419 -11.279 1.00 0.00 C ATOM 687 CZ PHE A 41 2.981 -7.198 -12.386 1.00 0.00 C ATOM 0 H PHE A 41 6.327 -8.988 -9.213 1.00 0.00 H new ATOM 0 HA PHE A 41 7.642 -8.655 -10.982 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.069 -5.707 -10.500 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.644 -6.413 -11.998 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.129 -8.061 -13.220 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.766 -5.623 -10.006 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.808 -8.402 -13.947 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.445 -5.956 -10.732 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.960 -7.344 -12.707 1.00 0.00 H new ATOM 697 N MET A 42 9.532 -8.140 -8.885 1.00 0.00 N ATOM 698 CA MET A 42 10.788 -7.802 -8.210 1.00 0.00 C ATOM 699 C MET A 42 12.014 -8.050 -9.089 1.00 0.00 C ATOM 700 O MET A 42 13.141 -7.775 -8.680 1.00 0.00 O ATOM 701 CB MET A 42 10.910 -8.604 -6.912 1.00 0.00 C ATOM 702 CG MET A 42 11.073 -10.104 -7.120 1.00 0.00 C ATOM 703 SD MET A 42 11.004 -11.034 -5.573 1.00 0.00 S ATOM 704 CE MET A 42 9.272 -10.871 -5.141 1.00 0.00 C ATOM 0 H MET A 42 9.061 -8.957 -8.496 1.00 0.00 H new ATOM 0 HA MET A 42 10.759 -6.734 -7.992 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.764 -8.232 -6.347 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.023 -8.427 -6.303 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.290 -10.461 -7.789 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.026 -10.297 -7.613 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.180 -10.312 -4.210 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.747 -10.341 -5.936 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.834 -11.861 -5.014 1.00 0.00 H new ATOM 714 N ASP A 43 11.798 -8.569 -10.285 1.00 0.00 N ATOM 715 CA ASP A 43 12.893 -8.826 -11.206 1.00 0.00 C ATOM 716 C ASP A 43 12.911 -7.793 -12.321 1.00 0.00 C ATOM 717 O ASP A 43 13.946 -7.191 -12.602 1.00 0.00 O ATOM 718 CB ASP A 43 12.797 -10.240 -11.784 1.00 0.00 C ATOM 719 CG ASP A 43 13.076 -11.301 -10.739 1.00 0.00 C ATOM 720 OD1 ASP A 43 14.264 -11.581 -10.478 1.00 0.00 O ATOM 721 OD2 ASP A 43 12.111 -11.841 -10.158 1.00 0.00 O ATOM 0 H ASP A 43 10.876 -8.821 -10.641 1.00 0.00 H new ATOM 0 HA ASP A 43 13.828 -8.748 -10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.802 -10.394 -12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.506 -10.345 -12.605 1.00 0.00 H new ATOM 726 N THR A 44 11.761 -7.566 -12.939 1.00 0.00 N ATOM 727 CA THR A 44 11.658 -6.595 -14.019 1.00 0.00 C ATOM 728 C THR A 44 11.724 -5.166 -13.490 1.00 0.00 C ATOM 729 O THR A 44 12.259 -4.274 -14.149 1.00 0.00 O ATOM 730 CB THR A 44 10.359 -6.796 -14.822 1.00 0.00 C ATOM 731 OG1 THR A 44 9.279 -7.135 -13.937 1.00 0.00 O ATOM 732 CG2 THR A 44 10.533 -7.889 -15.868 1.00 0.00 C ATOM 0 H THR A 44 10.887 -8.040 -12.712 1.00 0.00 H new ATOM 0 HA THR A 44 12.509 -6.758 -14.681 1.00 0.00 H new ATOM 0 HB THR A 44 10.125 -5.862 -15.333 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.448 -6.733 -14.266 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.603 -8.013 -16.423 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.331 -7.610 -16.556 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.790 -8.827 -15.375 1.00 0.00 H new ATOM 740 N MET A 45 11.186 -4.954 -12.298 1.00 0.00 N ATOM 741 CA MET A 45 11.224 -3.650 -11.657 1.00 0.00 C ATOM 742 C MET A 45 11.775 -3.790 -10.248 1.00 0.00 C ATOM 743 O MET A 45 12.090 -4.896 -9.807 1.00 0.00 O ATOM 744 CB MET A 45 9.825 -3.026 -11.594 1.00 0.00 C ATOM 745 CG MET A 45 9.182 -2.804 -12.953 1.00 0.00 C ATOM 746 SD MET A 45 7.560 -2.016 -12.837 1.00 0.00 S ATOM 747 CE MET A 45 6.679 -3.195 -11.816 1.00 0.00 C ATOM 0 H MET A 45 10.715 -5.675 -11.752 1.00 0.00 H new ATOM 0 HA MET A 45 11.868 -2.999 -12.247 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.178 -3.671 -10.999 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.888 -2.070 -11.074 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.839 -2.185 -13.564 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.080 -3.762 -13.463 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.619 -2.943 -11.801 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.808 -4.197 -12.224 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.074 -3.163 -10.800 1.00 0.00 H new ATOM 757 N GLU A 46 11.903 -2.676 -9.548 1.00 0.00 N ATOM 758 CA GLU A 46 12.275 -2.708 -8.146 1.00 0.00 C ATOM 759 C GLU A 46 11.027 -2.946 -7.305 1.00 0.00 C ATOM 760 O GLU A 46 9.933 -2.548 -7.699 1.00 0.00 O ATOM 761 CB GLU A 46 12.938 -1.392 -7.727 1.00 0.00 C ATOM 762 CG GLU A 46 14.212 -1.068 -8.491 1.00 0.00 C ATOM 763 CD GLU A 46 15.266 -2.146 -8.349 1.00 0.00 C ATOM 764 OE1 GLU A 46 15.633 -2.483 -7.202 1.00 0.00 O ATOM 765 OE2 GLU A 46 15.738 -2.660 -9.381 1.00 0.00 O ATOM 0 H GLU A 46 11.755 -1.741 -9.927 1.00 0.00 H new ATOM 0 HA GLU A 46 12.991 -3.515 -7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.226 -0.578 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.167 -1.436 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.974 -0.934 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.615 -0.121 -8.132 1.00 0.00 H new ATOM 772 N PRO A 47 11.160 -3.609 -6.149 1.00 0.00 N ATOM 773 CA PRO A 47 10.036 -3.820 -5.227 1.00 0.00 C ATOM 774 C PRO A 47 9.361 -2.504 -4.831 1.00 0.00 C ATOM 775 O PRO A 47 8.156 -2.459 -4.580 1.00 0.00 O ATOM 776 CB PRO A 47 10.691 -4.476 -4.011 1.00 0.00 C ATOM 777 CG PRO A 47 11.920 -5.122 -4.546 1.00 0.00 C ATOM 778 CD PRO A 47 12.401 -4.233 -5.659 1.00 0.00 C ATOM 0 HA PRO A 47 9.246 -4.423 -5.675 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.933 -3.739 -3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.027 -5.208 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.679 -5.221 -3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.706 -6.126 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.112 -3.489 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.902 -4.803 -6.442 1.00 0.00 H new ATOM 786 N LEU A 48 10.147 -1.433 -4.787 1.00 0.00 N ATOM 787 CA LEU A 48 9.623 -0.106 -4.477 1.00 0.00 C ATOM 788 C LEU A 48 8.762 0.417 -5.627 1.00 0.00 C ATOM 789 O LEU A 48 7.852 1.219 -5.420 1.00 0.00 O ATOM 790 CB LEU A 48 10.777 0.864 -4.199 1.00 0.00 C ATOM 791 CG LEU A 48 10.364 2.265 -3.740 1.00 0.00 C ATOM 792 CD1 LEU A 48 9.641 2.200 -2.404 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.581 3.172 -3.648 1.00 0.00 C ATOM 0 H LEU A 48 11.151 -1.458 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 48 8.999 -0.181 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.421 0.426 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.375 0.959 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 48 9.678 2.682 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.356 3.206 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.747 1.584 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.301 1.764 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.271 4.164 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.290 2.758 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.055 3.245 -4.627 1.00 0.00 H new ATOM 805 N GLU A 49 9.039 -0.063 -6.835 1.00 0.00 N ATOM 806 CA GLU A 49 8.303 0.359 -8.022 1.00 0.00 C ATOM 807 C GLU A 49 6.922 -0.291 -8.053 1.00 0.00 C ATOM 808 O GLU A 49 6.006 0.210 -8.696 1.00 0.00 O ATOM 809 CB GLU A 49 9.071 -0.017 -9.294 1.00 0.00 C ATOM 810 CG GLU A 49 10.476 0.556 -9.371 1.00 0.00 C ATOM 811 CD GLU A 49 10.501 2.051 -9.604 1.00 0.00 C ATOM 812 OE1 GLU A 49 10.424 2.469 -10.779 1.00 0.00 O ATOM 813 OE2 GLU A 49 10.632 2.807 -8.622 1.00 0.00 O ATOM 0 H GLU A 49 9.772 -0.748 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 49 8.189 1.442 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.131 -1.103 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.504 0.324 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.004 0.331 -8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.019 0.061 -10.176 1.00 0.00 H new ATOM 820 N TRP A 50 6.785 -1.410 -7.352 1.00 0.00 N ATOM 821 CA TRP A 50 5.520 -2.134 -7.287 1.00 0.00 C ATOM 822 C TRP A 50 4.459 -1.290 -6.582 1.00 0.00 C ATOM 823 O TRP A 50 3.291 -1.269 -6.979 1.00 0.00 O ATOM 824 CB TRP A 50 5.724 -3.463 -6.559 1.00 0.00 C ATOM 825 CG TRP A 50 4.480 -4.293 -6.445 1.00 0.00 C ATOM 826 CD1 TRP A 50 3.825 -4.934 -7.456 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.750 -4.577 -5.249 1.00 0.00 C ATOM 828 NE1 TRP A 50 2.729 -5.597 -6.960 1.00 0.00 N ATOM 829 CE2 TRP A 50 2.662 -5.392 -5.608 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.912 -4.219 -3.909 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.740 -5.856 -4.673 1.00 0.00 C ATOM 832 CZ3 TRP A 50 2.997 -4.679 -2.982 1.00 0.00 C ATOM 833 CH2 TRP A 50 1.924 -5.489 -3.368 1.00 0.00 C ATOM 0 H TRP A 50 7.540 -1.839 -6.817 1.00 0.00 H new ATOM 0 HA TRP A 50 5.173 -2.337 -8.300 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.486 -4.039 -7.083 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.108 -3.262 -5.559 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.124 -4.922 -8.494 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.072 -6.151 -7.509 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.738 -3.594 -3.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.911 -6.482 -4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.112 -4.409 -1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.225 -5.832 -2.619 1.00 0.00 H new ATOM 844 N LEU A 51 4.881 -0.582 -5.545 1.00 0.00 N ATOM 845 CA LEU A 51 4.004 0.335 -4.830 1.00 0.00 C ATOM 846 C LEU A 51 3.568 1.466 -5.755 1.00 0.00 C ATOM 847 O LEU A 51 2.433 1.944 -5.695 1.00 0.00 O ATOM 848 CB LEU A 51 4.732 0.906 -3.609 1.00 0.00 C ATOM 849 CG LEU A 51 3.969 1.973 -2.818 1.00 0.00 C ATOM 850 CD1 LEU A 51 2.708 1.392 -2.203 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.860 2.570 -1.739 1.00 0.00 C ATOM 0 H LEU A 51 5.832 -0.625 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 51 3.120 -0.207 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.972 0.084 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.678 1.334 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 51 3.677 2.765 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.183 2.169 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.060 1.011 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.974 0.579 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.304 3.327 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.181 1.784 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.734 3.028 -2.201 1.00 0.00 H new ATOM 863 N GLN A 52 4.472 1.860 -6.635 1.00 0.00 N ATOM 864 CA GLN A 52 4.253 2.996 -7.512 1.00 0.00 C ATOM 865 C GLN A 52 3.478 2.594 -8.760 1.00 0.00 C ATOM 866 O GLN A 52 3.979 1.843 -9.601 1.00 0.00 O ATOM 867 CB GLN A 52 5.590 3.602 -7.920 1.00 0.00 C ATOM 868 CG GLN A 52 6.512 3.899 -6.754 1.00 0.00 C ATOM 869 CD GLN A 52 7.890 4.302 -7.217 1.00 0.00 C ATOM 870 OE1 GLN A 52 8.045 4.899 -8.280 1.00 0.00 O ATOM 871 NE2 GLN A 52 8.901 3.953 -6.440 1.00 0.00 N ATOM 0 H GLN A 52 5.375 1.403 -6.761 1.00 0.00 H new ATOM 0 HA GLN A 52 3.664 3.732 -6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.094 2.919 -8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.407 4.525 -8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.085 4.697 -6.147 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.586 3.018 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.725 3.458 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.857 4.179 -6.715 1.00 0.00 H new ATOM 880 N TRP A 53 2.245 3.082 -8.851 1.00 0.00 N ATOM 881 CA TRP A 53 1.418 2.947 -10.051 1.00 0.00 C ATOM 882 C TRP A 53 0.835 1.535 -10.195 1.00 0.00 C ATOM 883 O TRP A 53 -0.010 1.293 -11.060 1.00 0.00 O ATOM 884 CB TRP A 53 2.220 3.336 -11.302 1.00 0.00 C ATOM 885 CG TRP A 53 1.373 3.609 -12.506 1.00 0.00 C ATOM 886 CD1 TRP A 53 1.116 2.758 -13.543 1.00 0.00 C ATOM 887 CD2 TRP A 53 0.674 4.824 -12.799 1.00 0.00 C ATOM 888 NE1 TRP A 53 0.294 3.369 -14.458 1.00 0.00 N ATOM 889 CE2 TRP A 53 0.012 4.639 -14.025 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.543 6.049 -12.139 1.00 0.00 C ATOM 891 CZ2 TRP A 53 -0.769 5.632 -14.607 1.00 0.00 C ATOM 892 CZ3 TRP A 53 -0.231 7.035 -12.718 1.00 0.00 C ATOM 893 CH2 TRP A 53 -0.879 6.821 -13.939 1.00 0.00 C ATOM 0 H TRP A 53 1.786 3.585 -8.092 1.00 0.00 H new ATOM 0 HA TRP A 53 0.576 3.631 -9.946 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.814 4.222 -11.079 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.920 2.534 -11.537 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.502 1.753 -13.630 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.051 2.946 -15.320 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.038 6.221 -11.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.270 5.471 -15.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.338 7.987 -12.220 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.479 7.612 -14.364 1.00 0.00 H new ATOM 904 N VAL A 54 1.262 0.601 -9.355 1.00 0.00 N ATOM 905 CA VAL A 54 0.694 -0.739 -9.396 1.00 0.00 C ATOM 906 C VAL A 54 -0.170 -1.008 -8.171 1.00 0.00 C ATOM 907 O VAL A 54 -1.390 -1.015 -8.271 1.00 0.00 O ATOM 908 CB VAL A 54 1.761 -1.847 -9.508 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.087 -3.204 -9.683 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.721 -1.568 -10.655 1.00 0.00 C ATOM 0 H VAL A 54 1.986 0.742 -8.650 1.00 0.00 H new ATOM 0 HA VAL A 54 0.083 -0.769 -10.298 1.00 0.00 H new ATOM 0 HB VAL A 54 2.343 -1.861 -8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.848 -3.981 -9.761 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.449 -3.407 -8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.482 -3.196 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.463 -2.365 -10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.165 -1.523 -11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.224 -0.616 -10.485 1.00 0.00 H new ATOM 920 N LEU A 55 0.471 -1.202 -7.017 1.00 0.00 N ATOM 921 CA LEU A 55 -0.231 -1.589 -5.790 1.00 0.00 C ATOM 922 C LEU A 55 -1.414 -0.671 -5.484 1.00 0.00 C ATOM 923 O LEU A 55 -2.544 -1.140 -5.349 1.00 0.00 O ATOM 924 CB LEU A 55 0.733 -1.605 -4.598 1.00 0.00 C ATOM 925 CG LEU A 55 0.084 -1.921 -3.246 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.596 -3.279 -3.271 1.00 0.00 C ATOM 927 CD2 LEU A 55 1.114 -1.859 -2.131 1.00 0.00 C ATOM 0 H LEU A 55 1.479 -1.097 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.623 -2.593 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.513 -2.341 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.221 -0.633 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.679 -1.166 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.048 -3.478 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.370 -3.284 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.141 -4.051 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.634 -2.086 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.902 -2.587 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.546 -0.859 -2.090 1.00 0.00 H new ATOM 939 N ILE A 56 -1.154 0.628 -5.385 1.00 0.00 N ATOM 940 CA ILE A 56 -2.198 1.583 -5.028 1.00 0.00 C ATOM 941 C ILE A 56 -3.377 1.550 -6.022 1.00 0.00 C ATOM 942 O ILE A 56 -4.511 1.313 -5.603 1.00 0.00 O ATOM 943 CB ILE A 56 -1.636 3.019 -4.864 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.629 3.058 -3.711 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.765 4.010 -4.619 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.028 4.409 -3.516 1.00 0.00 C ATOM 0 H ILE A 56 -0.236 1.042 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.586 1.273 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.127 3.303 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.136 2.775 -2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.144 2.311 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.351 5.012 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.453 3.994 -5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.300 3.734 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.727 4.356 -2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.565 4.687 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.735 5.157 -3.303 1.00 0.00 H new ATOM 958 N PRO A 57 -3.156 1.759 -7.345 1.00 0.00 N ATOM 959 CA PRO A 57 -4.240 1.674 -8.339 1.00 0.00 C ATOM 960 C PRO A 57 -4.915 0.302 -8.365 1.00 0.00 C ATOM 961 O PRO A 57 -6.140 0.209 -8.429 1.00 0.00 O ATOM 962 CB PRO A 57 -3.539 1.941 -9.674 1.00 0.00 C ATOM 963 CG PRO A 57 -2.305 2.680 -9.307 1.00 0.00 C ATOM 964 CD PRO A 57 -1.876 2.121 -7.983 1.00 0.00 C ATOM 0 HA PRO A 57 -5.039 2.380 -8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.305 1.011 -10.192 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.169 2.528 -10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.528 2.544 -10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.496 3.751 -9.237 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.225 1.255 -8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.325 2.855 -7.395 1.00 0.00 H new ATOM 972 N ARG A 58 -4.112 -0.756 -8.296 1.00 0.00 N ATOM 973 CA ARG A 58 -4.629 -2.122 -8.341 1.00 0.00 C ATOM 974 C ARG A 58 -5.590 -2.377 -7.181 1.00 0.00 C ATOM 975 O ARG A 58 -6.642 -2.993 -7.353 1.00 0.00 O ATOM 976 CB ARG A 58 -3.476 -3.128 -8.315 1.00 0.00 C ATOM 977 CG ARG A 58 -3.916 -4.578 -8.429 1.00 0.00 C ATOM 978 CD ARG A 58 -2.722 -5.501 -8.605 1.00 0.00 C ATOM 979 NE ARG A 58 -3.106 -6.910 -8.587 1.00 0.00 N ATOM 980 CZ ARG A 58 -2.555 -7.846 -9.366 1.00 0.00 C ATOM 981 NH1 ARG A 58 -1.646 -7.510 -10.278 1.00 0.00 N ATOM 982 NH2 ARG A 58 -2.926 -9.114 -9.241 1.00 0.00 N ATOM 0 H ARG A 58 -3.098 -0.694 -8.208 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.181 -2.250 -9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.792 -2.902 -9.133 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.918 -3.001 -7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.472 -4.864 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.594 -4.690 -9.275 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.225 -5.274 -9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.999 -5.313 -7.811 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.840 -7.198 -7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.367 -6.535 -10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.228 -8.228 -10.870 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.631 -9.373 -8.551 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.506 -9.829 -9.835 1.00 0.00 H new ATOM 996 N MET A 59 -5.231 -1.886 -6.000 1.00 0.00 N ATOM 997 CA MET A 59 -6.084 -2.037 -4.831 1.00 0.00 C ATOM 998 C MET A 59 -7.277 -1.096 -4.902 1.00 0.00 C ATOM 999 O MET A 59 -8.325 -1.378 -4.328 1.00 0.00 O ATOM 1000 CB MET A 59 -5.296 -1.809 -3.542 1.00 0.00 C ATOM 1001 CG MET A 59 -4.350 -2.950 -3.208 1.00 0.00 C ATOM 1002 SD MET A 59 -5.212 -4.520 -3.002 1.00 0.00 S ATOM 1003 CE MET A 59 -3.837 -5.627 -2.706 1.00 0.00 C ATOM 0 H MET A 59 -4.360 -1.383 -5.829 1.00 0.00 H new ATOM 0 HA MET A 59 -6.457 -3.061 -4.823 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.724 -0.886 -3.632 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.994 -1.671 -2.717 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.608 -3.047 -4.001 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.808 -2.713 -2.292 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.105 -6.634 -3.027 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.968 -5.286 -3.268 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.600 -5.636 -1.642 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.127 0.019 -5.617 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.256 0.914 -5.859 1.00 0.00 C ATOM 1015 C HIS A 60 -9.369 0.154 -6.563 1.00 0.00 C ATOM 1016 O HIS A 60 -10.547 0.322 -6.243 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.852 2.130 -6.703 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.463 3.336 -5.902 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.364 4.310 -5.532 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.266 3.739 -5.421 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.737 5.255 -4.861 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.460 4.938 -4.776 1.00 0.00 N ATOM 0 H HIS A 60 -6.246 0.321 -6.034 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.603 1.279 -4.892 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.017 1.850 -7.345 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.682 2.395 -7.357 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.328 3.215 -5.524 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.194 6.143 -4.449 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.738 5.489 -4.311 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.979 -0.700 -7.507 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.924 -1.546 -8.226 1.00 0.00 C ATOM 1033 C ASP A 61 -10.555 -2.554 -7.276 1.00 0.00 C ATOM 1034 O ASP A 61 -11.776 -2.688 -7.216 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.232 -2.292 -9.374 1.00 0.00 C ATOM 1036 CG ASP A 61 -8.667 -1.366 -10.434 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -9.439 -0.580 -11.023 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -7.449 -1.434 -10.698 1.00 0.00 O ATOM 0 H ASP A 61 -8.007 -0.823 -7.792 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.699 -0.903 -8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.426 -2.903 -8.968 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.945 -2.973 -9.838 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.710 -3.246 -6.521 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.156 -4.262 -5.572 1.00 0.00 C ATOM 1045 C LEU A 62 -11.171 -3.675 -4.587 1.00 0.00 C ATOM 1046 O LEU A 62 -12.236 -4.253 -4.351 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.935 -4.834 -4.830 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.177 -6.093 -3.984 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -7.871 -6.835 -3.758 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -9.806 -5.743 -2.642 1.00 0.00 C ATOM 0 H LEU A 62 -8.698 -3.120 -6.548 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.652 -5.067 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.163 -5.060 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.536 -4.056 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.868 -6.734 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.057 -7.725 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.448 -7.128 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.169 -6.185 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.965 -6.655 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.142 -5.077 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.762 -5.246 -2.807 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.838 -2.518 -4.035 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.686 -1.858 -3.049 1.00 0.00 C ATOM 1064 C LEU A 63 -12.965 -1.334 -3.684 1.00 0.00 C ATOM 1065 O LEU A 63 -14.036 -1.410 -3.081 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.924 -0.714 -2.388 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.652 -1.134 -1.653 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.870 0.085 -1.206 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -9.988 -2.019 -0.464 1.00 0.00 C ATOM 0 H LEU A 63 -9.980 -2.012 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.961 -2.593 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.661 0.018 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.587 -0.214 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.031 -1.708 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.967 -0.233 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.595 0.680 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.484 0.685 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.069 -2.307 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.630 -1.472 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.506 -2.913 -0.811 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.855 -0.820 -4.903 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.014 -0.297 -5.622 1.00 0.00 C ATOM 1083 C ASP A 64 -14.949 -1.435 -6.016 1.00 0.00 C ATOM 1084 O ASP A 64 -16.165 -1.271 -6.070 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.570 0.483 -6.863 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.723 1.164 -7.572 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.093 2.292 -7.172 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -15.259 0.583 -8.535 1.00 0.00 O ATOM 0 H ASP A 64 -11.976 -0.753 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.552 0.384 -4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.835 1.233 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.074 -0.197 -7.556 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.369 -2.602 -6.276 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.150 -3.806 -6.553 1.00 0.00 C ATOM 1095 C ASN A 65 -15.750 -4.353 -5.260 1.00 0.00 C ATOM 1096 O ASN A 65 -16.592 -5.250 -5.285 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.287 -4.882 -7.222 1.00 0.00 C ATOM 1098 CG ASN A 65 -13.999 -4.607 -8.693 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -13.788 -5.537 -9.476 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.982 -3.340 -9.081 1.00 0.00 N ATOM 0 H ASN A 65 -13.359 -2.741 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.954 -3.536 -7.238 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.342 -4.964 -6.685 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.789 -5.845 -7.133 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.790 -3.108 -10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.161 -2.597 -8.405 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.290 -3.800 -4.134 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.797 -4.140 -2.802 1.00 0.00 C ATOM 1109 C LYS A 66 -15.480 -5.589 -2.444 1.00 0.00 C ATOM 1110 O LYS A 66 -16.216 -6.236 -1.696 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.302 -3.874 -2.715 1.00 0.00 C ATOM 1112 CG LYS A 66 -17.687 -2.463 -3.132 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.170 -2.201 -2.946 1.00 0.00 C ATOM 1114 CE LYS A 66 -19.581 -0.873 -3.565 1.00 0.00 C ATOM 1115 NZ LYS A 66 -18.782 0.269 -3.045 1.00 0.00 N ATOM 0 H LYS A 66 -14.550 -3.098 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.293 -3.501 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.828 -4.589 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.636 -4.047 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.115 -1.743 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.420 -2.308 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.744 -3.009 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.410 -2.198 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.466 -0.929 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.637 -0.694 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.197 1.163 -3.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.787 0.251 -2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.803 0.193 -3.388 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.363 -6.075 -2.967 1.00 0.00 N ATOM 1130 CA GLN A 67 -13.901 -7.431 -2.699 1.00 0.00 C ATOM 1131 C GLN A 67 -13.379 -7.561 -1.274 1.00 0.00 C ATOM 1132 O GLN A 67 -12.762 -6.630 -0.750 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.796 -7.803 -3.688 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.291 -7.958 -5.112 1.00 0.00 C ATOM 1135 CD GLN A 67 -14.160 -9.185 -5.278 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -15.376 -9.136 -5.098 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -13.540 -10.297 -5.624 1.00 0.00 N ATOM 0 H GLN A 67 -13.753 -5.543 -3.587 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.745 -8.110 -2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.022 -7.036 -3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.332 -8.736 -3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.857 -7.071 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.438 -8.023 -5.788 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.530 -10.295 -5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.071 -11.158 -5.752 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.640 -8.710 -0.624 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.098 -9.008 0.704 1.00 0.00 C ATOM 1148 C PRO A 68 -11.573 -8.999 0.693 1.00 0.00 C ATOM 1149 O PRO A 68 -10.946 -9.494 -0.250 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.628 -10.412 1.013 1.00 0.00 C ATOM 1151 CG PRO A 68 -14.806 -10.585 0.117 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.492 -9.801 -1.124 1.00 0.00 C ATOM 0 HA PRO A 68 -13.395 -8.269 1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.870 -11.171 0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.912 -10.505 2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.970 -11.637 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.716 -10.218 0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.974 -10.410 -1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.396 -9.421 -1.600 1.00 0.00 H new ATOM 1160 N LEU A 69 -10.986 -8.443 1.734 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.548 -8.228 1.774 1.00 0.00 C ATOM 1162 C LEU A 69 -8.793 -9.499 2.154 1.00 0.00 C ATOM 1163 O LEU A 69 -9.301 -10.347 2.890 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.216 -7.111 2.764 1.00 0.00 C ATOM 1165 CG LEU A 69 -9.838 -5.752 2.440 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -9.490 -4.740 3.517 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.371 -5.263 1.078 1.00 0.00 C ATOM 0 H LEU A 69 -11.483 -8.130 2.568 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.229 -7.940 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.546 -7.417 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.133 -6.996 2.809 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.922 -5.866 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.940 -3.778 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.872 -5.085 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.407 -4.629 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.824 -4.295 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.286 -5.164 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.669 -5.980 0.312 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.579 -9.668 1.603 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.647 -10.704 2.047 1.00 0.00 C ATOM 1181 C PRO A 70 -6.243 -10.486 3.504 1.00 0.00 C ATOM 1182 O PRO A 70 -5.740 -9.421 3.863 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.433 -10.537 1.122 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.928 -9.743 -0.040 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.036 -8.880 0.487 1.00 0.00 C ATOM 0 HA PRO A 70 -7.082 -11.702 1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.618 -10.022 1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.047 -11.505 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.129 -9.135 -0.465 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.288 -10.397 -0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.666 -7.911 0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.792 -8.687 -0.274 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.450 -11.501 4.331 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.247 -11.354 5.760 1.00 0.00 C ATOM 1195 C GLY A 71 -4.784 -11.311 6.144 1.00 0.00 C ATOM 1196 O GLY A 71 -4.425 -10.796 7.202 1.00 0.00 O ATOM 0 H GLY A 71 -6.756 -12.428 4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.734 -10.440 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.729 -12.183 6.278 1.00 0.00 H new ATOM 1200 N ALA A 72 -3.934 -11.852 5.287 1.00 0.00 N ATOM 1201 CA ALA A 72 -2.506 -11.875 5.548 1.00 0.00 C ATOM 1202 C ALA A 72 -1.739 -11.199 4.419 1.00 0.00 C ATOM 1203 O ALA A 72 -0.943 -11.830 3.717 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.030 -13.305 5.756 1.00 0.00 C ATOM 0 H ALA A 72 -4.209 -12.281 4.404 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.311 -11.315 6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.958 -13.307 5.951 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.554 -13.743 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.237 -13.891 4.861 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.000 -9.915 4.236 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.327 -9.129 3.208 1.00 0.00 C ATOM 1212 C PHE A 73 -0.209 -8.278 3.825 1.00 0.00 C ATOM 1213 O PHE A 73 -0.006 -7.120 3.458 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.347 -8.245 2.477 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.816 -7.614 1.218 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.466 -8.397 0.130 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.664 -6.240 1.126 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.977 -7.822 -1.025 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -1.175 -5.658 -0.026 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.829 -6.451 -1.103 1.00 0.00 C ATOM 0 H PHE A 73 -2.677 -9.390 4.789 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.872 -9.807 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.222 -8.846 2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.681 -7.458 3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.577 -9.470 0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.932 -5.616 1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.710 -8.443 -1.867 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.063 -4.585 -0.085 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.443 -5.999 -2.005 1.00 0.00 H new ATOM 1230 N ALA A 74 0.532 -8.865 4.753 1.00 0.00 N ATOM 1231 CA ALA A 74 1.642 -8.170 5.384 1.00 0.00 C ATOM 1232 C ALA A 74 2.845 -8.106 4.446 1.00 0.00 C ATOM 1233 O ALA A 74 3.650 -9.036 4.377 1.00 0.00 O ATOM 1234 CB ALA A 74 2.027 -8.839 6.695 1.00 0.00 C ATOM 0 H ALA A 74 0.385 -9.818 5.085 1.00 0.00 H new ATOM 0 HA ALA A 74 1.319 -7.152 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.860 -8.300 7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.175 -8.826 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.323 -9.870 6.504 1.00 0.00 H new ATOM 1240 N VAL A 75 2.948 -7.013 3.702 1.00 0.00 N ATOM 1241 CA VAL A 75 4.060 -6.818 2.777 1.00 0.00 C ATOM 1242 C VAL A 75 5.203 -6.061 3.448 1.00 0.00 C ATOM 1243 O VAL A 75 6.257 -5.842 2.848 1.00 0.00 O ATOM 1244 CB VAL A 75 3.618 -6.061 1.503 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.619 -6.886 0.707 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.025 -4.704 1.856 1.00 0.00 C ATOM 0 H VAL A 75 2.275 -6.246 3.720 1.00 0.00 H new ATOM 0 HA VAL A 75 4.408 -7.809 2.487 1.00 0.00 H new ATOM 0 HB VAL A 75 4.501 -5.898 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.321 -6.335 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.078 -7.830 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.740 -7.085 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.722 -4.191 0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.157 -4.843 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.772 -4.105 2.378 1.00 0.00 H new ATOM 1256 N ALA A 76 4.989 -5.683 4.704 1.00 0.00 N ATOM 1257 CA ALA A 76 5.992 -4.952 5.474 1.00 0.00 C ATOM 1258 C ALA A 76 7.307 -5.738 5.601 1.00 0.00 C ATOM 1259 O ALA A 76 8.368 -5.202 5.278 1.00 0.00 O ATOM 1260 CB ALA A 76 5.450 -4.575 6.848 1.00 0.00 C ATOM 0 H ALA A 76 4.126 -5.872 5.213 1.00 0.00 H new ATOM 0 HA ALA A 76 6.216 -4.036 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.214 -4.031 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.569 -3.944 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.179 -5.479 7.393 1.00 0.00 H new ATOM 1266 N PRO A 77 7.273 -7.016 6.061 1.00 0.00 N ATOM 1267 CA PRO A 77 8.485 -7.844 6.185 1.00 0.00 C ATOM 1268 C PRO A 77 9.270 -7.926 4.878 1.00 0.00 C ATOM 1269 O PRO A 77 10.502 -7.958 4.881 1.00 0.00 O ATOM 1270 CB PRO A 77 7.954 -9.234 6.570 1.00 0.00 C ATOM 1271 CG PRO A 77 6.486 -9.186 6.310 1.00 0.00 C ATOM 1272 CD PRO A 77 6.082 -7.758 6.512 1.00 0.00 C ATOM 0 HA PRO A 77 9.177 -7.425 6.915 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.432 -10.014 5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.160 -9.457 7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.257 -9.517 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.947 -9.845 6.990 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.199 -7.501 5.927 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.845 -7.548 7.555 1.00 0.00 H new ATOM 1280 N TYR A 78 8.551 -7.943 3.763 1.00 0.00 N ATOM 1281 CA TYR A 78 9.179 -8.012 2.456 1.00 0.00 C ATOM 1282 C TYR A 78 9.894 -6.706 2.131 1.00 0.00 C ATOM 1283 O TYR A 78 11.053 -6.707 1.719 1.00 0.00 O ATOM 1284 CB TYR A 78 8.145 -8.323 1.371 1.00 0.00 C ATOM 1285 CG TYR A 78 8.716 -8.265 -0.025 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.601 -9.236 -0.475 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.387 -7.226 -0.888 1.00 0.00 C ATOM 1288 CE1 TYR A 78 10.142 -9.173 -1.743 1.00 0.00 C ATOM 1289 CE2 TYR A 78 8.921 -7.159 -2.158 1.00 0.00 C ATOM 1290 CZ TYR A 78 9.799 -8.133 -2.579 1.00 0.00 C ATOM 1291 OH TYR A 78 10.337 -8.065 -3.841 1.00 0.00 O ATOM 0 H TYR A 78 7.532 -7.910 3.741 1.00 0.00 H new ATOM 0 HA TYR A 78 9.913 -8.818 2.481 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.730 -9.316 1.547 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.320 -7.615 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.870 -10.053 0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.702 -6.459 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.830 -9.935 -2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.652 -6.348 -2.818 1.00 0.00 H new ATOM 0 HH TYR A 78 10.768 -8.918 -4.059 1.00 0.00 H new ATOM 1301 N TYR A 79 9.203 -5.591 2.328 1.00 0.00 N ATOM 1302 CA TYR A 79 9.765 -4.284 2.015 1.00 0.00 C ATOM 1303 C TYR A 79 10.969 -3.960 2.887 1.00 0.00 C ATOM 1304 O TYR A 79 11.877 -3.261 2.447 1.00 0.00 O ATOM 1305 CB TYR A 79 8.707 -3.188 2.133 1.00 0.00 C ATOM 1306 CG TYR A 79 7.986 -2.924 0.831 1.00 0.00 C ATOM 1307 CD1 TYR A 79 8.489 -2.004 -0.081 1.00 0.00 C ATOM 1308 CD2 TYR A 79 6.814 -3.595 0.507 1.00 0.00 C ATOM 1309 CE1 TYR A 79 7.845 -1.759 -1.277 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.165 -3.357 -0.691 1.00 0.00 C ATOM 1311 CZ TYR A 79 6.685 -2.435 -1.578 1.00 0.00 C ATOM 1312 OH TYR A 79 6.050 -2.198 -2.775 1.00 0.00 O ATOM 0 H TYR A 79 8.254 -5.565 2.702 1.00 0.00 H new ATOM 0 HA TYR A 79 10.108 -4.323 0.981 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.980 -3.472 2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.181 -2.267 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.400 -1.471 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.403 -4.313 1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.250 -1.040 -1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.257 -3.889 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 79 6.701 -2.245 -3.506 1.00 0.00 H new ATOM 1322 N GLU A 80 10.995 -4.478 4.109 1.00 0.00 N ATOM 1323 CA GLU A 80 12.142 -4.270 4.985 1.00 0.00 C ATOM 1324 C GLU A 80 13.390 -4.926 4.398 1.00 0.00 C ATOM 1325 O GLU A 80 14.499 -4.414 4.538 1.00 0.00 O ATOM 1326 CB GLU A 80 11.870 -4.812 6.391 1.00 0.00 C ATOM 1327 CG GLU A 80 13.065 -4.663 7.318 1.00 0.00 C ATOM 1328 CD GLU A 80 12.747 -4.957 8.765 1.00 0.00 C ATOM 1329 OE1 GLU A 80 12.751 -6.143 9.152 1.00 0.00 O ATOM 1330 OE2 GLU A 80 12.531 -3.997 9.530 1.00 0.00 O ATOM 0 H GLU A 80 10.245 -5.039 4.513 1.00 0.00 H new ATOM 0 HA GLU A 80 12.313 -3.196 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.016 -4.288 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.597 -5.865 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.858 -5.333 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.452 -3.647 7.239 1.00 0.00 H new ATOM 1337 N MET A 81 13.202 -6.053 3.731 1.00 0.00 N ATOM 1338 CA MET A 81 14.310 -6.738 3.077 1.00 0.00 C ATOM 1339 C MET A 81 14.627 -6.060 1.751 1.00 0.00 C ATOM 1340 O MET A 81 15.786 -5.904 1.378 1.00 0.00 O ATOM 1341 CB MET A 81 13.972 -8.210 2.830 1.00 0.00 C ATOM 1342 CG MET A 81 13.641 -8.991 4.090 1.00 0.00 C ATOM 1343 SD MET A 81 13.295 -10.728 3.755 1.00 0.00 S ATOM 1344 CE MET A 81 12.020 -10.583 2.504 1.00 0.00 C ATOM 0 H MET A 81 12.298 -6.513 3.627 1.00 0.00 H new ATOM 0 HA MET A 81 15.179 -6.686 3.733 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.124 -8.267 2.147 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.816 -8.687 2.331 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.475 -8.918 4.788 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.777 -8.539 4.577 1.00 0.00 H new ATOM 0 HE1 MET A 81 11.209 -11.276 2.729 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.634 -9.564 2.495 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.440 -10.821 1.527 1.00 0.00 H new ATOM 1354 N ALA A 82 13.578 -5.641 1.056 1.00 0.00 N ATOM 1355 CA ALA A 82 13.714 -5.019 -0.253 1.00 0.00 C ATOM 1356 C ALA A 82 14.415 -3.663 -0.161 1.00 0.00 C ATOM 1357 O ALA A 82 15.156 -3.275 -1.062 1.00 0.00 O ATOM 1358 CB ALA A 82 12.345 -4.865 -0.895 1.00 0.00 C ATOM 0 H ALA A 82 12.615 -5.722 1.382 1.00 0.00 H new ATOM 0 HA ALA A 82 14.333 -5.667 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.453 -4.399 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.884 -5.846 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.715 -4.239 -0.263 1.00 0.00 H new ATOM 1364 N LEU A 83 14.170 -2.948 0.929 1.00 0.00 N ATOM 1365 CA LEU A 83 14.782 -1.642 1.144 1.00 0.00 C ATOM 1366 C LEU A 83 16.044 -1.768 1.991 1.00 0.00 C ATOM 1367 O LEU A 83 16.684 -0.764 2.317 1.00 0.00 O ATOM 1368 CB LEU A 83 13.786 -0.695 1.820 1.00 0.00 C ATOM 1369 CG LEU A 83 12.521 -0.398 1.009 1.00 0.00 C ATOM 1370 CD1 LEU A 83 11.541 0.424 1.827 1.00 0.00 C ATOM 1371 CD2 LEU A 83 12.870 0.325 -0.285 1.00 0.00 C ATOM 0 H LEU A 83 13.550 -3.251 1.680 1.00 0.00 H new ATOM 0 HA LEU A 83 15.059 -1.231 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 83 13.493 -1.124 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 83 14.291 0.247 2.034 1.00 0.00 H new ATOM 0 HG LEU A 83 12.048 -1.347 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.649 0.624 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.263 -0.129 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.007 1.368 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.958 0.527 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.369 1.266 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.534 -0.300 -0.883 1.00 0.00 H new ATOM 1383 N ALA A 84 16.386 -3.012 2.333 1.00 0.00 N ATOM 1384 CA ALA A 84 17.575 -3.331 3.123 1.00 0.00 C ATOM 1385 C ALA A 84 17.460 -2.820 4.558 1.00 0.00 C ATOM 1386 O ALA A 84 16.450 -2.235 4.947 1.00 0.00 O ATOM 1387 CB ALA A 84 18.832 -2.781 2.457 1.00 0.00 C ATOM 0 H ALA A 84 15.841 -3.832 2.067 1.00 0.00 H new ATOM 0 HA ALA A 84 17.651 -4.417 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.703 -3.030 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.941 -3.221 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.751 -1.698 2.366 1.00 0.00 H new ATOM 1393 N THR A 85 18.502 -3.053 5.344 1.00 0.00 N ATOM 1394 CA THR A 85 18.541 -2.598 6.722 1.00 0.00 C ATOM 1395 C THR A 85 18.929 -1.125 6.796 1.00 0.00 C ATOM 1396 O THR A 85 18.913 -0.508 7.861 1.00 0.00 O ATOM 1397 CB THR A 85 19.538 -3.436 7.534 1.00 0.00 C ATOM 1398 OG1 THR A 85 20.741 -3.629 6.781 1.00 0.00 O ATOM 1399 CG2 THR A 85 18.941 -4.783 7.910 1.00 0.00 C ATOM 0 H THR A 85 19.336 -3.559 5.046 1.00 0.00 H new ATOM 0 HA THR A 85 17.544 -2.719 7.145 1.00 0.00 H new ATOM 0 HB THR A 85 19.768 -2.896 8.453 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.373 -4.163 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.669 -5.356 8.485 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.045 -4.629 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.681 -5.331 7.005 1.00 0.00 H new ATOM 1407 N ASP A 86 19.274 -0.575 5.645 1.00 0.00 N ATOM 1408 CA ASP A 86 19.648 0.827 5.534 1.00 0.00 C ATOM 1409 C ASP A 86 18.425 1.643 5.100 1.00 0.00 C ATOM 1410 O ASP A 86 17.303 1.139 5.154 1.00 0.00 O ATOM 1411 CB ASP A 86 20.798 0.965 4.528 1.00 0.00 C ATOM 1412 CG ASP A 86 21.516 2.299 4.609 1.00 0.00 C ATOM 1413 OD1 ASP A 86 22.418 2.449 5.454 1.00 0.00 O ATOM 1414 OD2 ASP A 86 21.185 3.208 3.820 1.00 0.00 O ATOM 0 H ASP A 86 19.303 -1.085 4.762 1.00 0.00 H new ATOM 0 HA ASP A 86 19.989 1.208 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.517 0.164 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 86 20.406 0.833 3.520 1.00 0.00 H new ATOM 1419 N HIS A 87 18.646 2.885 4.671 1.00 0.00 N ATOM 1420 CA HIS A 87 17.571 3.783 4.241 1.00 0.00 C ATOM 1421 C HIS A 87 16.577 4.024 5.384 1.00 0.00 C ATOM 1422 O HIS A 87 15.548 3.357 5.472 1.00 0.00 O ATOM 1423 CB HIS A 87 16.857 3.219 3.001 1.00 0.00 C ATOM 1424 CG HIS A 87 16.056 4.236 2.241 1.00 0.00 C ATOM 1425 ND1 HIS A 87 16.447 4.737 1.022 1.00 0.00 N ATOM 1426 CD2 HIS A 87 14.886 4.851 2.537 1.00 0.00 C ATOM 1427 CE1 HIS A 87 15.559 5.616 0.602 1.00 0.00 C ATOM 1428 NE2 HIS A 87 14.599 5.710 1.502 1.00 0.00 N ATOM 0 H HIS A 87 19.576 3.299 4.611 1.00 0.00 H new ATOM 0 HA HIS A 87 18.012 4.742 3.970 1.00 0.00 H new ATOM 0 HB2 HIS A 87 17.601 2.784 2.333 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.196 2.410 3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.288 4.695 3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.609 6.168 -0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 87 13.782 6.317 1.441 1.00 0.00 H new ATOM 1437 N PRO A 88 16.885 4.988 6.272 1.00 0.00 N ATOM 1438 CA PRO A 88 16.074 5.285 7.470 1.00 0.00 C ATOM 1439 C PRO A 88 14.585 5.480 7.174 1.00 0.00 C ATOM 1440 O PRO A 88 13.729 5.122 7.987 1.00 0.00 O ATOM 1441 CB PRO A 88 16.681 6.590 7.987 1.00 0.00 C ATOM 1442 CG PRO A 88 18.093 6.559 7.516 1.00 0.00 C ATOM 1443 CD PRO A 88 18.065 5.872 6.183 1.00 0.00 C ATOM 0 HA PRO A 88 16.102 4.457 8.178 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.151 7.457 7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.627 6.649 9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 88 18.498 7.567 7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.728 6.021 8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 88 17.970 6.587 5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.978 5.305 6.005 1.00 0.00 H new ATOM 1451 N GLN A 89 14.279 6.027 5.999 1.00 0.00 N ATOM 1452 CA GLN A 89 12.893 6.286 5.604 1.00 0.00 C ATOM 1453 C GLN A 89 12.084 4.996 5.484 1.00 0.00 C ATOM 1454 O GLN A 89 10.858 5.042 5.403 1.00 0.00 O ATOM 1455 CB GLN A 89 12.841 7.026 4.269 1.00 0.00 C ATOM 1456 CG GLN A 89 13.512 8.388 4.281 1.00 0.00 C ATOM 1457 CD GLN A 89 13.496 9.037 2.914 1.00 0.00 C ATOM 1458 OE1 GLN A 89 13.505 8.350 1.890 1.00 0.00 O ATOM 1459 NE2 GLN A 89 13.468 10.359 2.886 1.00 0.00 N ATOM 0 H GLN A 89 14.972 6.300 5.302 1.00 0.00 H new ATOM 0 HA GLN A 89 12.453 6.902 6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.314 6.408 3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.798 7.151 3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.006 9.036 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.542 8.282 4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.462 10.888 3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.453 10.850 1.992 1.00 0.00 H new ATOM 1468 N ARG A 90 12.766 3.850 5.473 1.00 0.00 N ATOM 1469 CA ARG A 90 12.090 2.567 5.329 1.00 0.00 C ATOM 1470 C ARG A 90 11.114 2.352 6.483 1.00 0.00 C ATOM 1471 O ARG A 90 10.059 1.751 6.304 1.00 0.00 O ATOM 1472 CB ARG A 90 13.102 1.409 5.265 1.00 0.00 C ATOM 1473 CG ARG A 90 13.290 0.680 6.587 1.00 0.00 C ATOM 1474 CD ARG A 90 14.234 -0.500 6.460 1.00 0.00 C ATOM 1475 NE ARG A 90 14.082 -1.424 7.583 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.983 -1.595 8.548 1.00 0.00 C ATOM 1477 NH1 ARG A 90 16.119 -0.908 8.536 1.00 0.00 N ATOM 1478 NH2 ARG A 90 14.746 -2.457 9.527 1.00 0.00 N ATOM 0 H ARG A 90 13.780 3.787 5.562 1.00 0.00 H new ATOM 0 HA ARG A 90 11.534 2.582 4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.774 0.694 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.065 1.799 4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.678 1.375 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.323 0.332 6.949 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.039 -1.025 5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.263 -0.143 6.417 1.00 0.00 H new ATOM 0 HE ARG A 90 13.226 -1.976 7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.306 -0.244 7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.805 -1.044 9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.875 -2.987 9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.435 -2.590 10.267 1.00 0.00 H new ATOM 1492 N ALA A 91 11.467 2.876 7.659 1.00 0.00 N ATOM 1493 CA ALA A 91 10.643 2.719 8.853 1.00 0.00 C ATOM 1494 C ALA A 91 9.287 3.386 8.665 1.00 0.00 C ATOM 1495 O ALA A 91 8.260 2.868 9.108 1.00 0.00 O ATOM 1496 CB ALA A 91 11.356 3.295 10.069 1.00 0.00 C ATOM 0 H ALA A 91 12.321 3.414 7.807 1.00 0.00 H new ATOM 0 HA ALA A 91 10.479 1.654 9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.729 3.170 10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.301 2.772 10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.550 4.356 9.909 1.00 0.00 H new ATOM 1502 N LEU A 92 9.290 4.530 7.991 1.00 0.00 N ATOM 1503 CA LEU A 92 8.060 5.258 7.716 1.00 0.00 C ATOM 1504 C LEU A 92 7.164 4.441 6.795 1.00 0.00 C ATOM 1505 O LEU A 92 5.945 4.401 6.964 1.00 0.00 O ATOM 1506 CB LEU A 92 8.373 6.613 7.074 1.00 0.00 C ATOM 1507 CG LEU A 92 9.239 7.549 7.919 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.550 8.824 7.154 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.546 7.873 9.234 1.00 0.00 C ATOM 0 H LEU A 92 10.133 4.973 7.625 1.00 0.00 H new ATOM 0 HA LEU A 92 7.540 5.430 8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.876 6.439 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.433 7.117 6.850 1.00 0.00 H new ATOM 0 HG LEU A 92 10.179 7.042 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.167 9.477 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.087 8.577 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.620 9.334 6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.176 8.540 9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.592 8.360 9.032 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.373 6.952 9.791 1.00 0.00 H new ATOM 1521 N ILE A 93 7.786 3.775 5.834 1.00 0.00 N ATOM 1522 CA ILE A 93 7.062 2.941 4.887 1.00 0.00 C ATOM 1523 C ILE A 93 6.543 1.683 5.576 1.00 0.00 C ATOM 1524 O ILE A 93 5.397 1.287 5.381 1.00 0.00 O ATOM 1525 CB ILE A 93 7.960 2.549 3.693 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.538 3.809 3.041 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.172 1.734 2.675 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.508 3.526 1.914 1.00 0.00 C ATOM 0 H ILE A 93 8.795 3.796 5.689 1.00 0.00 H new ATOM 0 HA ILE A 93 6.218 3.518 4.510 1.00 0.00 H new ATOM 0 HB ILE A 93 8.781 1.932 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.718 4.417 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.044 4.401 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.821 1.467 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.797 0.826 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.333 2.325 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.874 4.467 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.348 2.945 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.002 2.961 1.131 1.00 0.00 H new ATOM 1540 N LEU A 94 7.393 1.072 6.397 1.00 0.00 N ATOM 1541 CA LEU A 94 7.030 -0.142 7.123 1.00 0.00 C ATOM 1542 C LEU A 94 5.823 0.095 8.021 1.00 0.00 C ATOM 1543 O LEU A 94 4.849 -0.655 7.967 1.00 0.00 O ATOM 1544 CB LEU A 94 8.206 -0.643 7.964 1.00 0.00 C ATOM 1545 CG LEU A 94 9.434 -1.075 7.167 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.525 -1.572 8.100 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.063 -2.150 6.157 1.00 0.00 C ATOM 0 H LEU A 94 8.342 1.399 6.577 1.00 0.00 H new ATOM 0 HA LEU A 94 6.772 -0.901 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.500 0.146 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.868 -1.486 8.567 1.00 0.00 H new ATOM 0 HG LEU A 94 9.814 -0.210 6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.393 -1.876 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.810 -0.773 8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.156 -2.424 8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.951 -2.446 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.658 -3.016 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.314 -1.759 5.468 1.00 0.00 H new ATOM 1559 N ALA A 95 5.889 1.142 8.833 1.00 0.00 N ATOM 1560 CA ALA A 95 4.799 1.478 9.743 1.00 0.00 C ATOM 1561 C ALA A 95 3.514 1.759 8.974 1.00 0.00 C ATOM 1562 O ALA A 95 2.421 1.390 9.408 1.00 0.00 O ATOM 1563 CB ALA A 95 5.177 2.679 10.593 1.00 0.00 C ATOM 0 H ALA A 95 6.687 1.775 8.881 1.00 0.00 H new ATOM 0 HA ALA A 95 4.624 0.623 10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.356 2.920 11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.069 2.447 11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.378 3.533 9.947 1.00 0.00 H new ATOM 1569 N GLU A 96 3.657 2.396 7.820 1.00 0.00 N ATOM 1570 CA GLU A 96 2.516 2.736 6.987 1.00 0.00 C ATOM 1571 C GLU A 96 1.911 1.468 6.375 1.00 0.00 C ATOM 1572 O GLU A 96 0.700 1.380 6.156 1.00 0.00 O ATOM 1573 CB GLU A 96 2.956 3.707 5.890 1.00 0.00 C ATOM 1574 CG GLU A 96 1.865 4.664 5.434 1.00 0.00 C ATOM 1575 CD GLU A 96 1.427 5.624 6.525 1.00 0.00 C ATOM 1576 OE1 GLU A 96 2.211 6.527 6.882 1.00 0.00 O ATOM 1577 OE2 GLU A 96 0.296 5.483 7.030 1.00 0.00 O ATOM 0 H GLU A 96 4.557 2.688 7.440 1.00 0.00 H new ATOM 0 HA GLU A 96 1.752 3.216 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.805 4.287 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.304 3.134 5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.224 5.235 4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.003 4.089 5.095 1.00 0.00 H new ATOM 1584 N LEU A 97 2.765 0.478 6.121 1.00 0.00 N ATOM 1585 CA LEU A 97 2.321 -0.802 5.578 1.00 0.00 C ATOM 1586 C LEU A 97 1.676 -1.660 6.659 1.00 0.00 C ATOM 1587 O LEU A 97 0.711 -2.375 6.399 1.00 0.00 O ATOM 1588 CB LEU A 97 3.489 -1.560 4.942 1.00 0.00 C ATOM 1589 CG LEU A 97 4.094 -0.910 3.698 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.302 -1.701 3.222 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.054 -0.809 2.592 1.00 0.00 C ATOM 0 H LEU A 97 3.770 0.539 6.283 1.00 0.00 H new ATOM 0 HA LEU A 97 1.578 -0.593 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.274 -1.676 5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.149 -2.562 4.679 1.00 0.00 H new ATOM 0 HG LEU A 97 4.420 0.097 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.722 -1.226 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.054 -1.726 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.997 -2.719 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.501 -0.344 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.700 -1.807 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.215 -0.204 2.936 1.00 0.00 H new ATOM 1603 N GLU A 98 2.213 -1.597 7.873 1.00 0.00 N ATOM 1604 CA GLU A 98 1.621 -2.307 9.003 1.00 0.00 C ATOM 1605 C GLU A 98 0.234 -1.756 9.297 1.00 0.00 C ATOM 1606 O GLU A 98 -0.690 -2.500 9.636 1.00 0.00 O ATOM 1607 CB GLU A 98 2.500 -2.184 10.245 1.00 0.00 C ATOM 1608 CG GLU A 98 3.874 -2.811 10.082 1.00 0.00 C ATOM 1609 CD GLU A 98 4.696 -2.739 11.348 1.00 0.00 C ATOM 1610 OE1 GLU A 98 5.312 -1.687 11.599 1.00 0.00 O ATOM 1611 OE2 GLU A 98 4.738 -3.742 12.092 1.00 0.00 O ATOM 0 H GLU A 98 3.053 -1.065 8.100 1.00 0.00 H new ATOM 0 HA GLU A 98 1.542 -3.362 8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.618 -1.129 10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.993 -2.655 11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.761 -3.854 9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.407 -2.306 9.277 1.00 0.00 H new ATOM 1618 N LYS A 99 0.103 -0.445 9.154 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.176 0.231 9.301 1.00 0.00 C ATOM 1620 C LYS A 99 -2.154 -0.277 8.244 1.00 0.00 C ATOM 1621 O LYS A 99 -3.342 -0.464 8.512 1.00 0.00 O ATOM 1622 CB LYS A 99 -0.970 1.738 9.148 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.156 2.583 9.581 1.00 0.00 C ATOM 1624 CD LYS A 99 -1.878 4.065 9.374 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.564 4.490 10.016 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.584 4.333 11.493 1.00 0.00 N ATOM 0 H LYS A 99 0.880 0.178 8.933 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.589 0.023 10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.097 2.034 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.746 1.957 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.040 2.293 9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.376 2.395 10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.848 4.283 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.695 4.650 9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.250 3.896 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.359 5.531 9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.318 4.666 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.365 4.893 11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.719 3.330 11.734 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.630 -0.510 7.046 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.423 -1.032 5.941 1.00 0.00 C ATOM 1642 C LEU A 100 -2.851 -2.471 6.224 1.00 0.00 C ATOM 1643 O LEU A 100 -4.003 -2.842 5.999 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.609 -0.963 4.644 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.343 -1.395 3.375 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.520 -0.474 3.099 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.388 -1.409 2.193 1.00 0.00 C ATOM 0 H LEU A 100 -0.651 -0.344 6.815 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.321 -0.424 5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.261 0.061 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.723 -1.588 4.759 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.727 -2.404 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.030 -0.797 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.215 -0.510 3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.161 0.547 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.924 -1.719 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.978 -0.410 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.576 -2.109 2.390 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.917 -3.270 6.731 1.00 0.00 N ATOM 1660 CA ASP A 101 -2.187 -4.667 7.079 1.00 0.00 C ATOM 1661 C ASP A 101 -3.286 -4.772 8.134 1.00 0.00 C ATOM 1662 O ASP A 101 -4.129 -5.667 8.077 1.00 0.00 O ATOM 1663 CB ASP A 101 -0.909 -5.344 7.583 1.00 0.00 C ATOM 1664 CG ASP A 101 -1.168 -6.700 8.216 1.00 0.00 C ATOM 1665 OD1 ASP A 101 -1.421 -7.674 7.480 1.00 0.00 O ATOM 1666 OD2 ASP A 101 -1.093 -6.791 9.463 1.00 0.00 O ATOM 0 H ASP A 101 -0.958 -2.974 6.912 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.531 -5.177 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.215 -5.464 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.424 -4.695 8.312 1.00 0.00 H new ATOM 1671 N ALA A 102 -3.289 -3.837 9.080 1.00 0.00 N ATOM 1672 CA ALA A 102 -4.296 -3.816 10.138 1.00 0.00 C ATOM 1673 C ALA A 102 -5.694 -3.604 9.562 1.00 0.00 C ATOM 1674 O ALA A 102 -6.698 -3.933 10.194 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.973 -2.731 11.153 1.00 0.00 C ATOM 0 H ALA A 102 -2.605 -3.083 9.136 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.280 -4.784 10.639 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.732 -2.727 11.935 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.996 -2.926 11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.959 -1.761 10.656 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.751 -3.050 8.361 1.00 0.00 N ATOM 1682 CA LEU A 103 -7.014 -2.852 7.671 1.00 0.00 C ATOM 1683 C LEU A 103 -7.384 -4.105 6.886 1.00 0.00 C ATOM 1684 O LEU A 103 -8.545 -4.511 6.860 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.916 -1.644 6.739 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.621 -0.315 7.436 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -6.365 0.779 6.414 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.774 0.072 8.350 1.00 0.00 C ATOM 0 H LEU A 103 -4.933 -2.729 7.843 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.796 -2.662 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.134 -1.833 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.853 -1.550 6.190 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.723 -0.436 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.157 1.717 6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.509 0.507 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.245 0.900 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.549 1.020 8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.686 0.175 7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.915 -0.701 9.105 1.00 0.00 H new ATOM 1700 N PHE A 104 -6.385 -4.722 6.265 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.590 -5.955 5.513 1.00 0.00 C ATOM 1702 C PHE A 104 -7.022 -7.096 6.429 1.00 0.00 C ATOM 1703 O PHE A 104 -7.920 -7.867 6.098 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.316 -6.345 4.763 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.170 -5.666 3.430 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -5.754 -6.216 2.306 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.449 -4.491 3.300 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -5.626 -5.611 1.072 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.318 -3.879 2.066 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.908 -4.441 0.951 1.00 0.00 C ATOM 0 H PHE A 104 -5.422 -4.387 6.268 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.387 -5.773 4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.452 -6.102 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.308 -7.425 4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.319 -7.132 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.985 -4.049 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.088 -6.054 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.755 -2.962 1.975 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.807 -3.965 -0.013 1.00 0.00 H new ATOM 1720 N ALA A 105 -6.391 -7.182 7.590 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.697 -8.229 8.555 1.00 0.00 C ATOM 1722 C ALA A 105 -8.004 -7.941 9.290 1.00 0.00 C ATOM 1723 O ALA A 105 -8.456 -8.741 10.113 1.00 0.00 O ATOM 1724 CB ALA A 105 -5.554 -8.381 9.546 1.00 0.00 C ATOM 0 H ALA A 105 -5.660 -6.536 7.889 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.820 -9.165 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.795 -9.167 10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.642 -8.645 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.405 -7.440 10.076 1.00 0.00 H new ATOM 1730 N ASP A 106 -8.607 -6.797 9.001 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.872 -6.427 9.620 1.00 0.00 C ATOM 1732 C ASP A 106 -11.037 -6.944 8.786 1.00 0.00 C ATOM 1733 O ASP A 106 -12.057 -7.386 9.320 1.00 0.00 O ATOM 1734 CB ASP A 106 -9.969 -4.908 9.778 1.00 0.00 C ATOM 1735 CG ASP A 106 -11.216 -4.479 10.526 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -11.279 -4.694 11.754 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -12.133 -3.909 9.893 1.00 0.00 O ATOM 0 H ASP A 106 -8.241 -6.109 8.342 1.00 0.00 H new ATOM 0 HA ASP A 106 -9.918 -6.881 10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.089 -4.544 10.308 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.963 -4.443 8.792 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.874 -6.898 7.473 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.891 -7.403 6.563 1.00 0.00 C ATOM 1744 C ASP A 107 -11.451 -8.739 5.985 1.00 0.00 C ATOM 1745 O ASP A 107 -10.861 -8.801 4.912 1.00 0.00 O ATOM 1746 CB ASP A 107 -12.167 -6.401 5.438 1.00 0.00 C ATOM 1747 CG ASP A 107 -13.263 -6.869 4.502 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -14.441 -6.861 4.913 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -12.958 -7.220 3.340 1.00 0.00 O ATOM 0 H ASP A 107 -10.047 -6.516 7.013 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.816 -7.543 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.449 -5.441 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.252 -6.238 4.868 1.00 0.00 H new