USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 954 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 21 LYS NZ :NH3+ -142:sc= 0.369 (180deg=0) USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0.243 USER MOD Set 2.1: A 71 TYR OH : rot 145:sc= -0.755 USER MOD Set 2.2: A 74 SER OG : rot -107:sc= 0.024 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -172:sc=-0.00969 (180deg=-0.151) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.32) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -2.5! K(o=-2.5!,f=-1.1) USER MOD Single : A 76 GLN : amide:sc= -2.03! K(o=-2!,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= 0.351 K(o=0.35,f=-1.2) USER MOD Single : A 87 HIS : no HE2:sc= 0.275 K(o=0.27,f=-3.1!) USER MOD Single : A 90 HIS : no HE2:sc= -4.87! C(o=-4.5!,f=-14!) USER MOD Single : A 95 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.036) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.643 K(o=-0.64,f=-0.11) USER MOD Single : A 103 HIS : no HE2:sc= -1.85! C(o=-1.8!,f=-6.4!) USER MOD Single : A 104 GLN : amide:sc= -0.692 X(o=-0.69,f=-0.25) USER MOD Single : A 109 CYS SG : rot 170:sc= -1.35 USER MOD Single : A 116 GLN : amide:sc= -1.67! C(o=-1.7!,f=-6.4!) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -161:sc= -0.121 (180deg=-0.602) USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 7 -19.004 -8.669 -4.481 1.00 0.00 N ATOM 79 CA LYS A 7 -18.395 -7.390 -4.800 1.00 0.00 C ATOM 80 C LYS A 7 -16.941 -7.382 -4.369 1.00 0.00 C ATOM 81 O LYS A 7 -16.587 -7.950 -3.333 1.00 0.00 O ATOM 82 CB LYS A 7 -19.142 -6.250 -4.103 1.00 0.00 C ATOM 83 CG LYS A 7 -20.451 -5.864 -4.768 1.00 0.00 C ATOM 84 CD LYS A 7 -20.214 -5.179 -6.104 1.00 0.00 C ATOM 85 CE LYS A 7 -21.514 -4.671 -6.705 1.00 0.00 C ATOM 86 NZ LYS A 7 -21.287 -3.928 -7.972 1.00 0.00 N ATOM 0 HA LYS A 7 -18.453 -7.243 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.343 -6.540 -3.072 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.494 -5.374 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -21.061 -6.755 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.012 -5.199 -4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -19.523 -4.346 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -19.741 -5.878 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -22.180 -5.513 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -22.016 -4.021 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -22.198 -3.599 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -20.672 -3.110 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.832 -4.555 -8.665 1.00 0.00 H new ATOM 100 N MET A 8 -16.098 -6.757 -5.169 1.00 0.00 N ATOM 101 CA MET A 8 -14.713 -6.572 -4.790 1.00 0.00 C ATOM 102 C MET A 8 -14.493 -5.167 -4.269 1.00 0.00 C ATOM 103 O MET A 8 -15.039 -4.197 -4.794 1.00 0.00 O ATOM 104 CB MET A 8 -13.750 -6.856 -5.948 1.00 0.00 C ATOM 105 CG MET A 8 -13.499 -8.336 -6.191 1.00 0.00 C ATOM 106 SD MET A 8 -12.046 -8.639 -7.221 1.00 0.00 S ATOM 107 CE MET A 8 -12.495 -7.771 -8.723 1.00 0.00 C ATOM 0 H MET A 8 -16.347 -6.371 -6.080 1.00 0.00 H new ATOM 0 HA MET A 8 -14.498 -7.292 -4.001 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.151 -6.411 -6.859 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.798 -6.364 -5.745 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.371 -8.840 -5.233 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.375 -8.775 -6.668 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.762 -7.986 -9.500 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.481 -8.100 -9.053 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.516 -6.698 -8.531 1.00 0.00 H new ATOM 117 N ILE A 9 -13.706 -5.077 -3.223 1.00 0.00 N ATOM 118 CA ILE A 9 -13.333 -3.808 -2.645 1.00 0.00 C ATOM 119 C ILE A 9 -11.902 -3.519 -3.046 1.00 0.00 C ATOM 120 O ILE A 9 -10.991 -4.236 -2.652 1.00 0.00 O ATOM 121 CB ILE A 9 -13.440 -3.847 -1.106 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.878 -4.147 -0.682 1.00 0.00 C ATOM 123 CG2 ILE A 9 -12.950 -2.553 -0.469 1.00 0.00 C ATOM 124 CD1 ILE A 9 -15.097 -4.070 0.815 1.00 0.00 C ATOM 0 H ILE A 9 -13.305 -5.885 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.006 -3.030 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.792 -4.648 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.548 -3.443 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.150 -5.143 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.043 -2.623 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.905 -2.390 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.551 -1.719 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.139 -4.294 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.453 -4.794 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.857 -3.067 1.167 1.00 0.00 H new ATOM 136 N GLU A 10 -11.698 -2.491 -3.829 1.00 0.00 N ATOM 137 CA GLU A 10 -10.374 -2.218 -4.344 1.00 0.00 C ATOM 138 C GLU A 10 -9.632 -1.339 -3.372 1.00 0.00 C ATOM 139 O GLU A 10 -10.130 -0.290 -2.961 1.00 0.00 O ATOM 140 CB GLU A 10 -10.436 -1.553 -5.722 1.00 0.00 C ATOM 141 CG GLU A 10 -10.425 -2.535 -6.885 1.00 0.00 C ATOM 142 CD GLU A 10 -9.080 -3.218 -7.065 1.00 0.00 C ATOM 143 OE1 GLU A 10 -8.053 -2.656 -6.621 1.00 0.00 O ATOM 144 OE2 GLU A 10 -9.040 -4.315 -7.667 1.00 0.00 O ATOM 0 H GLU A 10 -12.420 -1.834 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.846 -3.164 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.340 -0.946 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.589 -0.874 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.193 -3.291 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.685 -2.008 -7.803 1.00 0.00 H new ATOM 151 N VAL A 11 -8.455 -1.777 -2.985 1.00 0.00 N ATOM 152 CA VAL A 11 -7.639 -1.030 -2.066 1.00 0.00 C ATOM 153 C VAL A 11 -6.244 -0.919 -2.639 1.00 0.00 C ATOM 154 O VAL A 11 -5.559 -1.916 -2.854 1.00 0.00 O ATOM 155 CB VAL A 11 -7.581 -1.679 -0.665 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.666 -0.893 0.260 1.00 0.00 C ATOM 157 CG2 VAL A 11 -8.973 -1.783 -0.065 1.00 0.00 C ATOM 0 H VAL A 11 -8.042 -2.656 -3.298 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.086 -0.044 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.174 -2.684 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.642 -1.370 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.659 -0.870 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.040 0.126 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.911 -2.243 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.406 -0.787 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.603 -2.395 -0.711 1.00 0.00 H new ATOM 167 N VAL A 12 -5.838 0.291 -2.901 1.00 0.00 N ATOM 168 CA VAL A 12 -4.543 0.533 -3.482 1.00 0.00 C ATOM 169 C VAL A 12 -3.561 0.904 -2.391 1.00 0.00 C ATOM 170 O VAL A 12 -3.859 1.724 -1.520 1.00 0.00 O ATOM 171 CB VAL A 12 -4.596 1.635 -4.562 1.00 0.00 C ATOM 172 CG1 VAL A 12 -5.180 1.083 -5.856 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.411 2.829 -4.072 1.00 0.00 C ATOM 0 H VAL A 12 -6.387 1.132 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.213 -0.382 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.579 1.974 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.211 1.872 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.558 0.264 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.190 0.718 -5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.437 3.595 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.428 2.507 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.952 3.239 -3.172 1.00 0.00 H new ATOM 183 N ALA A 13 -2.402 0.278 -2.423 1.00 0.00 N ATOM 184 CA ALA A 13 -1.392 0.501 -1.417 1.00 0.00 C ATOM 185 C ALA A 13 -0.168 1.109 -2.067 1.00 0.00 C ATOM 186 O ALA A 13 0.353 0.579 -3.051 1.00 0.00 O ATOM 187 CB ALA A 13 -1.039 -0.806 -0.717 1.00 0.00 C ATOM 0 H ALA A 13 -2.138 -0.394 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.776 1.189 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.276 -0.619 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.930 -1.215 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.659 -1.519 -1.448 1.00 0.00 H new ATOM 193 N ALA A 14 0.279 2.224 -1.533 1.00 0.00 N ATOM 194 CA ALA A 14 1.431 2.904 -2.072 1.00 0.00 C ATOM 195 C ALA A 14 2.635 2.620 -1.216 1.00 0.00 C ATOM 196 O ALA A 14 2.704 3.026 -0.055 1.00 0.00 O ATOM 197 CB ALA A 14 1.195 4.401 -2.155 1.00 0.00 C ATOM 0 H ALA A 14 -0.141 2.679 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 14 1.606 2.533 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.080 4.887 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.340 4.599 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.995 4.794 -1.158 1.00 0.00 H new ATOM 203 N ILE A 15 3.583 1.915 -1.783 1.00 0.00 N ATOM 204 CA ILE A 15 4.797 1.617 -1.087 1.00 0.00 C ATOM 205 C ILE A 15 5.755 2.766 -1.297 1.00 0.00 C ATOM 206 O ILE A 15 6.338 2.917 -2.376 1.00 0.00 O ATOM 207 CB ILE A 15 5.414 0.289 -1.573 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.493 -0.876 -1.192 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.804 0.093 -0.996 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.160 -2.229 -1.272 1.00 0.00 C ATOM 0 H ILE A 15 3.531 1.538 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 15 4.587 1.495 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 15 5.511 0.322 -2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.127 -0.721 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.623 -0.870 -1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.217 -0.850 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.448 0.914 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.747 0.074 0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.447 -3.003 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.502 -2.406 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.013 -2.255 -0.594 1.00 0.00 H new ATOM 222 N ILE A 16 5.882 3.613 -0.291 1.00 0.00 N ATOM 223 CA ILE A 16 6.722 4.779 -0.405 1.00 0.00 C ATOM 224 C ILE A 16 8.154 4.358 -0.154 1.00 0.00 C ATOM 225 O ILE A 16 8.551 4.169 0.989 1.00 0.00 O ATOM 226 CB ILE A 16 6.347 5.865 0.634 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.832 5.887 0.902 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.824 7.240 0.171 1.00 0.00 C ATOM 229 CD1 ILE A 16 4.008 6.526 -0.188 1.00 0.00 C ATOM 0 H ILE A 16 5.413 3.511 0.609 1.00 0.00 H new ATOM 0 HA ILE A 16 6.590 5.199 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 16 6.850 5.616 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.487 4.863 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.650 6.419 1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.551 7.989 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.907 7.227 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.355 7.486 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.954 6.496 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.319 7.562 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.155 5.982 -1.121 1.00 0.00 H new ATOM 241 N GLU A 17 8.919 4.192 -1.211 1.00 0.00 N ATOM 242 CA GLU A 17 10.296 3.774 -1.070 1.00 0.00 C ATOM 243 C GLU A 17 11.199 4.913 -1.484 1.00 0.00 C ATOM 244 O GLU A 17 11.270 5.265 -2.664 1.00 0.00 O ATOM 245 CB GLU A 17 10.601 2.530 -1.903 1.00 0.00 C ATOM 246 CG GLU A 17 12.028 2.031 -1.738 1.00 0.00 C ATOM 247 CD GLU A 17 12.591 1.445 -3.015 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.990 2.230 -3.900 1.00 0.00 O ATOM 249 OE2 GLU A 17 12.644 0.205 -3.137 1.00 0.00 O ATOM 0 H GLU A 17 8.613 4.339 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 17 10.473 3.514 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.911 1.735 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.420 2.752 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.662 2.855 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.056 1.276 -0.953 1.00 0.00 H new ATOM 256 N ARG A 18 11.848 5.502 -0.505 1.00 0.00 N ATOM 257 CA ARG A 18 12.755 6.602 -0.745 1.00 0.00 C ATOM 258 C ARG A 18 14.067 6.328 -0.031 1.00 0.00 C ATOM 259 O ARG A 18 14.069 5.954 1.143 1.00 0.00 O ATOM 260 CB ARG A 18 12.147 7.918 -0.254 1.00 0.00 C ATOM 261 CG ARG A 18 12.734 9.146 -0.926 1.00 0.00 C ATOM 262 CD ARG A 18 12.347 9.202 -2.398 1.00 0.00 C ATOM 263 NE ARG A 18 12.939 10.349 -3.079 1.00 0.00 N ATOM 264 CZ ARG A 18 12.249 11.247 -3.778 1.00 0.00 C ATOM 265 NH1 ARG A 18 10.929 11.153 -3.878 1.00 0.00 N ATOM 266 NH2 ARG A 18 12.882 12.244 -4.382 1.00 0.00 N ATOM 0 H ARG A 18 11.763 5.234 0.475 1.00 0.00 H new ATOM 0 HA ARG A 18 12.935 6.693 -1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.071 7.899 -0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.295 7.998 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.382 10.045 -0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.820 9.132 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.666 8.284 -2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.262 9.250 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 18 13.950 10.471 -3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.436 10.388 -3.417 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.408 11.845 -4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.897 12.322 -4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.354 12.933 -4.918 1.00 0.00 H new ATOM 280 N ASP A 19 15.171 6.474 -0.760 1.00 0.00 N ATOM 281 CA ASP A 19 16.511 6.236 -0.220 1.00 0.00 C ATOM 282 C ASP A 19 16.688 4.772 0.178 1.00 0.00 C ATOM 283 O ASP A 19 17.613 4.425 0.914 1.00 0.00 O ATOM 284 CB ASP A 19 16.793 7.140 0.991 1.00 0.00 C ATOM 285 CG ASP A 19 16.646 8.614 0.673 1.00 0.00 C ATOM 286 OD1 ASP A 19 17.561 9.190 0.045 1.00 0.00 O ATOM 287 OD2 ASP A 19 15.618 9.210 1.056 1.00 0.00 O ATOM 0 H ASP A 19 15.164 6.760 -1.739 1.00 0.00 H new ATOM 0 HA ASP A 19 17.225 6.477 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.111 6.878 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.804 6.950 1.352 1.00 0.00 H new ATOM 292 N GLY A 20 15.811 3.912 -0.328 1.00 0.00 N ATOM 293 CA GLY A 20 15.879 2.503 0.001 1.00 0.00 C ATOM 294 C GLY A 20 15.020 2.139 1.197 1.00 0.00 C ATOM 295 O GLY A 20 15.040 0.998 1.655 1.00 0.00 O ATOM 0 H GLY A 20 15.053 4.168 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.561 1.917 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.914 2.232 0.206 1.00 0.00 H new ATOM 299 N LYS A 21 14.272 3.104 1.717 1.00 0.00 N ATOM 300 CA LYS A 21 13.410 2.860 2.870 1.00 0.00 C ATOM 301 C LYS A 21 11.945 2.959 2.470 1.00 0.00 C ATOM 302 O LYS A 21 11.574 3.789 1.642 1.00 0.00 O ATOM 303 CB LYS A 21 13.707 3.869 3.977 1.00 0.00 C ATOM 304 CG LYS A 21 15.188 4.076 4.207 1.00 0.00 C ATOM 305 CD LYS A 21 15.729 3.161 5.281 1.00 0.00 C ATOM 306 CE LYS A 21 17.048 2.544 4.853 1.00 0.00 C ATOM 307 NZ LYS A 21 17.846 2.082 6.015 1.00 0.00 N ATOM 0 H LYS A 21 14.244 4.060 1.362 1.00 0.00 H new ATOM 0 HA LYS A 21 13.610 1.854 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.247 4.824 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.245 3.529 4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.727 3.900 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.369 5.113 4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.868 3.721 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.006 2.373 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.856 1.703 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.623 3.275 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.854 2.274 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.539 2.588 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.706 1.060 6.148 1.00 0.00 H new ATOM 321 N ILE A 22 11.125 2.117 3.068 1.00 0.00 N ATOM 322 CA ILE A 22 9.702 2.100 2.793 1.00 0.00 C ATOM 323 C ILE A 22 8.944 2.750 3.945 1.00 0.00 C ATOM 324 O ILE A 22 9.361 2.659 5.101 1.00 0.00 O ATOM 325 CB ILE A 22 9.194 0.658 2.578 1.00 0.00 C ATOM 326 CG1 ILE A 22 10.040 -0.045 1.519 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.727 0.655 2.167 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.612 -1.469 1.259 1.00 0.00 C ATOM 0 H ILE A 22 11.426 1.427 3.756 1.00 0.00 H new ATOM 0 HA ILE A 22 9.525 2.664 1.877 1.00 0.00 H new ATOM 0 HB ILE A 22 9.285 0.118 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.985 0.519 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.083 -0.039 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.392 -0.372 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.129 1.124 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.609 1.211 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.255 -1.909 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.693 -2.047 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.578 -1.481 0.913 1.00 0.00 H new ATOM 340 N LEU A 23 7.849 3.420 3.617 1.00 0.00 N ATOM 341 CA LEU A 23 7.041 4.119 4.604 1.00 0.00 C ATOM 342 C LEU A 23 5.955 3.215 5.185 1.00 0.00 C ATOM 343 O LEU A 23 5.114 2.681 4.461 1.00 0.00 O ATOM 344 CB LEU A 23 6.406 5.354 3.960 1.00 0.00 C ATOM 345 CG LEU A 23 5.535 6.209 4.878 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.369 6.784 6.013 1.00 0.00 C ATOM 347 CD2 LEU A 23 4.869 7.321 4.084 1.00 0.00 C ATOM 0 H LEU A 23 7.497 3.494 2.663 1.00 0.00 H new ATOM 0 HA LEU A 23 7.692 4.422 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.202 5.981 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.800 5.028 3.115 1.00 0.00 H new ATOM 0 HG LEU A 23 4.756 5.580 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.735 7.391 6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.805 5.970 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.166 7.403 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.251 7.923 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.633 7.951 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.245 6.887 3.303 1.00 0.00 H new ATOM 359 N LEU A 24 5.993 3.053 6.497 1.00 0.00 N ATOM 360 CA LEU A 24 4.962 2.313 7.211 1.00 0.00 C ATOM 361 C LEU A 24 4.175 3.273 8.082 1.00 0.00 C ATOM 362 O LEU A 24 4.750 4.164 8.710 1.00 0.00 O ATOM 363 CB LEU A 24 5.539 1.187 8.080 1.00 0.00 C ATOM 364 CG LEU A 24 6.370 0.117 7.355 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.718 0.663 6.917 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.562 -1.094 8.250 1.00 0.00 C ATOM 0 H LEU A 24 6.731 3.426 7.094 1.00 0.00 H new ATOM 0 HA LEU A 24 4.316 1.847 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.163 1.638 8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.712 0.690 8.588 1.00 0.00 H new ATOM 0 HG LEU A 24 5.823 -0.182 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.280 -0.120 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.567 1.502 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.276 0.999 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.152 -1.845 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.082 -0.795 9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.590 -1.513 8.509 1.00 0.00 H new ATOM 378 N ALA A 25 2.866 3.097 8.117 1.00 0.00 N ATOM 379 CA ALA A 25 2.006 4.002 8.851 1.00 0.00 C ATOM 380 C ALA A 25 1.101 3.251 9.824 1.00 0.00 C ATOM 381 O ALA A 25 0.322 2.383 9.426 1.00 0.00 O ATOM 382 CB ALA A 25 1.194 4.830 7.875 1.00 0.00 C ATOM 0 H ALA A 25 2.378 2.336 7.645 1.00 0.00 H new ATOM 0 HA ALA A 25 2.629 4.667 9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.546 5.511 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.866 5.404 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.584 4.170 7.257 1.00 0.00 H new ATOM 388 N GLN A 26 1.221 3.593 11.101 1.00 0.00 N ATOM 389 CA GLN A 26 0.471 2.924 12.163 1.00 0.00 C ATOM 390 C GLN A 26 -0.987 3.377 12.188 1.00 0.00 C ATOM 391 O GLN A 26 -1.304 4.456 12.698 1.00 0.00 O ATOM 392 CB GLN A 26 1.130 3.187 13.519 1.00 0.00 C ATOM 393 CG GLN A 26 0.460 2.472 14.680 1.00 0.00 C ATOM 394 CD GLN A 26 1.171 2.723 15.991 1.00 0.00 C ATOM 395 OE1 GLN A 26 2.076 1.984 16.370 1.00 0.00 O ATOM 396 NE2 GLN A 26 0.768 3.771 16.694 1.00 0.00 N ATOM 0 H GLN A 26 1.836 4.337 11.431 1.00 0.00 H new ATOM 0 HA GLN A 26 0.484 1.853 11.959 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.174 2.879 13.470 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.123 4.260 13.713 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.575 2.804 14.760 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.437 1.401 14.480 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.013 4.360 16.344 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.213 3.989 17.585 1.00 0.00 H new ATOM 520 N GLY A 35 -1.339 -0.258 16.744 1.00 0.00 N ATOM 521 CA GLY A 35 -0.034 -0.854 16.943 1.00 0.00 C ATOM 522 C GLY A 35 0.475 -1.528 15.693 1.00 0.00 C ATOM 523 O GLY A 35 1.681 -1.651 15.492 1.00 0.00 O ATOM 0 HA2 GLY A 35 0.673 -0.084 17.254 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.088 -1.583 17.752 1.00 0.00 H new ATOM 527 N LEU A 36 -0.451 -1.982 14.867 1.00 0.00 N ATOM 528 CA LEU A 36 -0.125 -2.606 13.596 1.00 0.00 C ATOM 529 C LEU A 36 0.182 -1.550 12.538 1.00 0.00 C ATOM 530 O LEU A 36 -0.297 -0.416 12.617 1.00 0.00 O ATOM 531 CB LEU A 36 -1.297 -3.470 13.137 1.00 0.00 C ATOM 532 CG LEU A 36 -1.853 -4.424 14.195 1.00 0.00 C ATOM 533 CD1 LEU A 36 -3.116 -5.092 13.691 1.00 0.00 C ATOM 534 CD2 LEU A 36 -0.817 -5.468 14.577 1.00 0.00 C ATOM 0 H LEU A 36 -1.451 -1.929 15.058 1.00 0.00 H new ATOM 0 HA LEU A 36 0.760 -3.228 13.729 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.101 -2.815 12.802 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.981 -4.055 12.273 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.097 -3.844 15.085 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.500 -5.768 14.455 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.866 -4.332 13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.893 -5.657 12.786 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.234 -6.136 15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.539 -6.045 13.695 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.067 -4.973 14.980 1.00 0.00 H new ATOM 546 N TRP A 37 0.975 -1.934 11.551 1.00 0.00 N ATOM 547 CA TRP A 37 1.353 -1.043 10.469 1.00 0.00 C ATOM 548 C TRP A 37 0.858 -1.621 9.144 1.00 0.00 C ATOM 549 O TRP A 37 0.754 -2.836 8.994 1.00 0.00 O ATOM 550 CB TRP A 37 2.883 -0.870 10.436 1.00 0.00 C ATOM 551 CG TRP A 37 3.473 -0.444 11.753 1.00 0.00 C ATOM 552 CD1 TRP A 37 3.657 -1.223 12.857 1.00 0.00 C ATOM 553 CD2 TRP A 37 3.967 0.856 12.098 1.00 0.00 C ATOM 554 NE1 TRP A 37 4.221 -0.488 13.869 1.00 0.00 N ATOM 555 CE2 TRP A 37 4.421 0.789 13.428 1.00 0.00 C ATOM 556 CE3 TRP A 37 4.067 2.070 11.415 1.00 0.00 C ATOM 557 CZ2 TRP A 37 4.964 1.887 14.087 1.00 0.00 C ATOM 558 CZ3 TRP A 37 4.608 3.159 12.071 1.00 0.00 C ATOM 559 CH2 TRP A 37 5.049 3.060 13.395 1.00 0.00 C ATOM 0 H TRP A 37 1.373 -2.870 11.478 1.00 0.00 H new ATOM 0 HA TRP A 37 0.898 -0.065 10.628 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.340 -1.812 10.131 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.140 -0.131 9.677 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.396 -2.269 12.925 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.453 -0.838 14.799 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.728 2.156 10.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.306 1.814 15.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.692 4.103 11.553 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.466 3.931 13.880 1.00 0.00 H new ATOM 570 N GLU A 38 0.554 -0.749 8.203 1.00 0.00 N ATOM 571 CA GLU A 38 0.179 -1.150 6.849 1.00 0.00 C ATOM 572 C GLU A 38 0.725 -0.102 5.892 1.00 0.00 C ATOM 573 O GLU A 38 1.139 0.982 6.330 1.00 0.00 O ATOM 574 CB GLU A 38 -1.353 -1.289 6.654 1.00 0.00 C ATOM 575 CG GLU A 38 -2.012 -2.485 7.333 1.00 0.00 C ATOM 576 CD GLU A 38 -3.507 -2.597 7.010 1.00 0.00 C ATOM 577 OE1 GLU A 38 -4.307 -1.880 7.643 1.00 0.00 O ATOM 578 OE2 GLU A 38 -3.894 -3.416 6.134 1.00 0.00 O ATOM 0 H GLU A 38 0.558 0.260 8.350 1.00 0.00 H new ATOM 0 HA GLU A 38 0.599 -2.137 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.829 -0.380 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.559 -1.346 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.507 -3.399 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.882 -2.402 8.412 1.00 0.00 H new ATOM 585 N PHE A 39 0.753 -0.413 4.605 1.00 0.00 N ATOM 586 CA PHE A 39 1.202 0.548 3.612 1.00 0.00 C ATOM 587 C PHE A 39 0.139 1.621 3.431 1.00 0.00 C ATOM 588 O PHE A 39 -1.057 1.341 3.509 1.00 0.00 O ATOM 589 CB PHE A 39 1.511 -0.133 2.269 1.00 0.00 C ATOM 590 CG PHE A 39 2.663 -1.080 2.312 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.946 -0.624 2.548 1.00 0.00 C ATOM 592 CD2 PHE A 39 2.464 -2.429 2.102 1.00 0.00 C ATOM 593 CE1 PHE A 39 5.006 -1.500 2.583 1.00 0.00 C ATOM 594 CE2 PHE A 39 3.517 -3.311 2.134 1.00 0.00 C ATOM 595 CZ PHE A 39 4.795 -2.848 2.374 1.00 0.00 C ATOM 0 H PHE A 39 0.472 -1.317 4.226 1.00 0.00 H new ATOM 0 HA PHE A 39 2.126 1.005 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.624 -0.673 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.715 0.636 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.118 0.430 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.467 -2.797 1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.004 -1.133 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.345 -4.365 1.972 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.626 -3.537 2.398 1.00 0.00 H new ATOM 605 N ALA A 40 0.569 2.854 3.219 1.00 0.00 N ATOM 606 CA ALA A 40 -0.366 3.952 3.046 1.00 0.00 C ATOM 607 C ALA A 40 -1.080 3.839 1.708 1.00 0.00 C ATOM 608 O ALA A 40 -0.552 3.269 0.758 1.00 0.00 O ATOM 609 CB ALA A 40 0.342 5.288 3.162 1.00 0.00 C ATOM 0 H ALA A 40 1.553 3.118 3.163 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.110 3.893 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.379 6.095 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.802 5.372 4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.112 5.359 2.394 1.00 0.00 H new ATOM 615 N GLY A 41 -2.276 4.386 1.635 1.00 0.00 N ATOM 616 CA GLY A 41 -3.076 4.258 0.444 1.00 0.00 C ATOM 617 C GLY A 41 -4.540 4.409 0.768 1.00 0.00 C ATOM 618 O GLY A 41 -4.911 5.297 1.532 1.00 0.00 O ATOM 0 H GLY A 41 -2.711 4.921 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.779 5.014 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.899 3.286 -0.017 1.00 0.00 H new ATOM 622 N GLY A 42 -5.367 3.526 0.237 1.00 0.00 N ATOM 623 CA GLY A 42 -6.783 3.614 0.512 1.00 0.00 C ATOM 624 C GLY A 42 -7.630 2.812 -0.442 1.00 0.00 C ATOM 625 O GLY A 42 -7.163 1.850 -1.046 1.00 0.00 O ATOM 0 H GLY A 42 -5.088 2.758 -0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.970 3.270 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.090 4.659 0.468 1.00 0.00 H new ATOM 629 N LYS A 43 -8.872 3.231 -0.590 1.00 0.00 N ATOM 630 CA LYS A 43 -9.851 2.473 -1.351 1.00 0.00 C ATOM 631 C LYS A 43 -10.119 3.140 -2.695 1.00 0.00 C ATOM 632 O LYS A 43 -10.051 4.363 -2.817 1.00 0.00 O ATOM 633 CB LYS A 43 -11.150 2.334 -0.539 1.00 0.00 C ATOM 634 CG LYS A 43 -12.283 1.622 -1.262 1.00 0.00 C ATOM 635 CD LYS A 43 -13.564 1.676 -0.445 1.00 0.00 C ATOM 636 CE LYS A 43 -14.694 0.896 -1.102 1.00 0.00 C ATOM 637 NZ LYS A 43 -15.953 0.983 -0.315 1.00 0.00 N ATOM 0 H LYS A 43 -9.230 4.098 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.454 1.477 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.930 1.794 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.490 3.329 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.447 2.085 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.007 0.584 -1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.376 1.273 0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.868 2.715 -0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.866 1.281 -2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.402 -0.149 -1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.700 0.440 -0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.796 0.592 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.245 1.978 -0.236 1.00 0.00 H new ATOM 651 N VAL A 44 -10.430 2.329 -3.693 1.00 0.00 N ATOM 652 CA VAL A 44 -10.725 2.830 -5.021 1.00 0.00 C ATOM 653 C VAL A 44 -12.217 2.734 -5.269 1.00 0.00 C ATOM 654 O VAL A 44 -12.769 1.636 -5.366 1.00 0.00 O ATOM 655 CB VAL A 44 -9.988 2.038 -6.121 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.219 2.668 -7.487 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.504 1.953 -5.815 1.00 0.00 C ATOM 0 H VAL A 44 -10.484 1.314 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.385 3.865 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.393 1.026 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.690 2.093 -8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.286 2.670 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.847 3.693 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.002 1.391 -6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.085 2.958 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.358 1.449 -4.860 1.00 0.00 H new ATOM 667 N GLU A 45 -12.876 3.870 -5.331 1.00 0.00 N ATOM 668 CA GLU A 45 -14.298 3.891 -5.596 1.00 0.00 C ATOM 669 C GLU A 45 -14.538 4.063 -7.094 1.00 0.00 C ATOM 670 O GLU A 45 -13.697 4.626 -7.794 1.00 0.00 O ATOM 671 CB GLU A 45 -14.965 4.979 -4.750 1.00 0.00 C ATOM 672 CG GLU A 45 -14.760 4.743 -3.259 1.00 0.00 C ATOM 673 CD GLU A 45 -15.594 5.644 -2.374 1.00 0.00 C ATOM 674 OE1 GLU A 45 -16.826 5.444 -2.313 1.00 0.00 O ATOM 675 OE2 GLU A 45 -15.021 6.514 -1.693 1.00 0.00 O ATOM 0 H GLU A 45 -12.452 4.789 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.755 2.944 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.558 5.952 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.032 5.007 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.998 3.704 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.707 4.889 -3.020 1.00 0.00 H new ATOM 682 N PRO A 46 -15.681 3.567 -7.609 1.00 0.00 N ATOM 683 CA PRO A 46 -15.925 3.432 -9.060 1.00 0.00 C ATOM 684 C PRO A 46 -16.061 4.759 -9.813 1.00 0.00 C ATOM 685 O PRO A 46 -16.615 4.801 -10.913 1.00 0.00 O ATOM 686 CB PRO A 46 -17.244 2.655 -9.125 1.00 0.00 C ATOM 687 CG PRO A 46 -17.923 2.947 -7.833 1.00 0.00 C ATOM 688 CD PRO A 46 -16.826 3.085 -6.816 1.00 0.00 C ATOM 0 HA PRO A 46 -15.078 2.946 -9.544 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -17.851 2.976 -9.972 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -17.068 1.586 -9.246 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -18.512 3.862 -7.899 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.609 2.145 -7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.094 3.790 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.606 2.134 -6.331 1.00 0.00 H new ATOM 696 N ASP A 47 -15.567 5.836 -9.229 1.00 0.00 N ATOM 697 CA ASP A 47 -15.567 7.124 -9.908 1.00 0.00 C ATOM 698 C ASP A 47 -14.145 7.642 -10.086 1.00 0.00 C ATOM 699 O ASP A 47 -13.922 8.668 -10.724 1.00 0.00 O ATOM 700 CB ASP A 47 -16.414 8.142 -9.139 1.00 0.00 C ATOM 701 CG ASP A 47 -16.727 9.377 -9.963 1.00 0.00 C ATOM 702 OD1 ASP A 47 -17.580 9.285 -10.869 1.00 0.00 O ATOM 703 OD2 ASP A 47 -16.135 10.448 -9.706 1.00 0.00 O ATOM 0 H ASP A 47 -15.163 5.848 -8.293 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.008 6.985 -10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -17.346 7.672 -8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.886 8.438 -8.232 1.00 0.00 H new ATOM 708 N GLU A 48 -13.177 6.917 -9.547 1.00 0.00 N ATOM 709 CA GLU A 48 -11.790 7.362 -9.607 1.00 0.00 C ATOM 710 C GLU A 48 -10.874 6.285 -10.192 1.00 0.00 C ATOM 711 O GLU A 48 -11.255 5.120 -10.314 1.00 0.00 O ATOM 712 CB GLU A 48 -11.303 7.782 -8.215 1.00 0.00 C ATOM 713 CG GLU A 48 -11.239 6.647 -7.204 1.00 0.00 C ATOM 714 CD GLU A 48 -10.946 7.139 -5.801 1.00 0.00 C ATOM 715 OE1 GLU A 48 -10.033 7.976 -5.638 1.00 0.00 O ATOM 716 OE2 GLU A 48 -11.646 6.713 -4.858 1.00 0.00 O ATOM 0 H GLU A 48 -13.321 6.028 -9.068 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.749 8.225 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.312 8.226 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.965 8.558 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.186 6.108 -7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.468 5.938 -7.506 1.00 0.00 H new ATOM 723 N SER A 49 -9.671 6.700 -10.567 1.00 0.00 N ATOM 724 CA SER A 49 -8.683 5.800 -11.148 1.00 0.00 C ATOM 725 C SER A 49 -7.845 5.145 -10.052 1.00 0.00 C ATOM 726 O SER A 49 -7.709 5.698 -8.967 1.00 0.00 O ATOM 727 CB SER A 49 -7.781 6.580 -12.112 1.00 0.00 C ATOM 728 OG SER A 49 -6.733 5.774 -12.616 1.00 0.00 O ATOM 0 H SER A 49 -9.354 7.665 -10.478 1.00 0.00 H new ATOM 0 HA SER A 49 -9.200 5.014 -11.698 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.378 6.961 -12.941 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.360 7.444 -11.598 1.00 0.00 H new ATOM 0 HG SER A 49 -6.179 6.302 -13.228 1.00 0.00 H new ATOM 734 N GLN A 50 -7.286 3.968 -10.343 1.00 0.00 N ATOM 735 CA GLN A 50 -6.442 3.250 -9.386 1.00 0.00 C ATOM 736 C GLN A 50 -5.225 4.084 -9.003 1.00 0.00 C ATOM 737 O GLN A 50 -4.903 4.225 -7.823 1.00 0.00 O ATOM 738 CB GLN A 50 -5.983 1.914 -9.975 1.00 0.00 C ATOM 739 CG GLN A 50 -7.095 0.896 -10.126 1.00 0.00 C ATOM 740 CD GLN A 50 -6.689 -0.275 -10.998 1.00 0.00 C ATOM 741 OE1 GLN A 50 -6.163 -1.277 -10.516 1.00 0.00 O ATOM 742 NE2 GLN A 50 -6.917 -0.147 -12.296 1.00 0.00 N ATOM 0 H GLN A 50 -7.403 3.491 -11.237 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.035 3.063 -8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.533 2.094 -10.951 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.204 1.495 -9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.385 0.529 -9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.972 1.380 -10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.356 0.701 -12.656 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.654 -0.896 -12.936 1.00 0.00 H new ATOM 751 N ARG A 51 -4.554 4.640 -10.006 1.00 0.00 N ATOM 752 CA ARG A 51 -3.386 5.479 -9.762 1.00 0.00 C ATOM 753 C ARG A 51 -3.803 6.747 -9.048 1.00 0.00 C ATOM 754 O ARG A 51 -3.154 7.182 -8.101 1.00 0.00 O ATOM 755 CB ARG A 51 -2.685 5.848 -11.071 1.00 0.00 C ATOM 756 CG ARG A 51 -2.231 4.649 -11.886 1.00 0.00 C ATOM 757 CD ARG A 51 -1.545 5.086 -13.170 1.00 0.00 C ATOM 758 NE ARG A 51 -2.450 5.825 -14.050 1.00 0.00 N ATOM 759 CZ ARG A 51 -2.075 6.400 -15.194 1.00 0.00 C ATOM 760 NH1 ARG A 51 -0.824 6.282 -15.629 1.00 0.00 N ATOM 761 NH2 ARG A 51 -2.956 7.086 -15.914 1.00 0.00 N ATOM 0 H ARG A 51 -4.797 4.526 -10.990 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.691 4.913 -9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.362 6.451 -11.676 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.819 6.470 -10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.547 4.041 -11.294 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.090 4.022 -12.125 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.685 5.710 -12.927 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.165 4.209 -13.694 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.428 5.906 -13.772 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.144 5.749 -15.087 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.545 6.724 -16.505 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.920 7.173 -15.592 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.668 7.525 -16.788 1.00 0.00 H new ATOM 775 N GLN A 52 -4.920 7.306 -9.485 1.00 0.00 N ATOM 776 CA GLN A 52 -5.398 8.571 -8.958 1.00 0.00 C ATOM 777 C GLN A 52 -5.864 8.399 -7.519 1.00 0.00 C ATOM 778 O GLN A 52 -5.730 9.308 -6.703 1.00 0.00 O ATOM 779 CB GLN A 52 -6.522 9.115 -9.842 1.00 0.00 C ATOM 780 CG GLN A 52 -7.169 10.381 -9.310 1.00 0.00 C ATOM 781 CD GLN A 52 -7.470 11.393 -10.397 1.00 0.00 C ATOM 782 OE1 GLN A 52 -8.451 12.130 -10.320 1.00 0.00 O ATOM 783 NE2 GLN A 52 -6.614 11.459 -11.403 1.00 0.00 N ATOM 0 H GLN A 52 -5.514 6.900 -10.207 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.581 9.293 -8.963 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.124 9.313 -10.837 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.287 8.347 -9.952 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.095 10.121 -8.796 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.511 10.836 -8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.811 10.830 -11.432 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.756 12.139 -12.150 1.00 0.00 H new ATOM 792 N ALA A 53 -6.388 7.217 -7.216 1.00 0.00 N ATOM 793 CA ALA A 53 -6.799 6.883 -5.863 1.00 0.00 C ATOM 794 C ALA A 53 -5.612 6.973 -4.921 1.00 0.00 C ATOM 795 O ALA A 53 -5.692 7.624 -3.888 1.00 0.00 O ATOM 796 CB ALA A 53 -7.416 5.493 -5.811 1.00 0.00 C ATOM 0 H ALA A 53 -6.538 6.472 -7.896 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.556 7.600 -5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.716 5.266 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.290 5.458 -6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.685 4.758 -6.147 1.00 0.00 H new ATOM 802 N LEU A 54 -4.494 6.360 -5.303 1.00 0.00 N ATOM 803 CA LEU A 54 -3.282 6.423 -4.497 1.00 0.00 C ATOM 804 C LEU A 54 -2.802 7.854 -4.377 1.00 0.00 C ATOM 805 O LEU A 54 -2.476 8.323 -3.290 1.00 0.00 O ATOM 806 CB LEU A 54 -2.174 5.567 -5.114 1.00 0.00 C ATOM 807 CG LEU A 54 -2.228 4.088 -4.757 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.054 3.346 -5.375 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.235 3.923 -3.248 1.00 0.00 C ATOM 0 H LEU A 54 -4.404 5.817 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.518 6.036 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.221 5.665 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.210 5.966 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.146 3.660 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.110 2.291 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.089 3.449 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.120 3.766 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.274 2.863 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.329 4.362 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.107 4.426 -2.831 1.00 0.00 H new ATOM 821 N VAL A 55 -2.786 8.539 -5.505 1.00 0.00 N ATOM 822 CA VAL A 55 -2.344 9.920 -5.560 1.00 0.00 C ATOM 823 C VAL A 55 -3.160 10.792 -4.609 1.00 0.00 C ATOM 824 O VAL A 55 -2.603 11.576 -3.842 1.00 0.00 O ATOM 825 CB VAL A 55 -2.439 10.477 -6.997 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.112 11.963 -7.026 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.510 9.706 -7.920 1.00 0.00 C ATOM 0 H VAL A 55 -3.077 8.157 -6.405 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.300 9.943 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.463 10.352 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.186 12.332 -8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.817 12.503 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.099 12.120 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.586 10.108 -8.931 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.483 9.803 -7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.794 8.654 -7.926 1.00 0.00 H new ATOM 837 N ARG A 56 -4.476 10.633 -4.643 1.00 0.00 N ATOM 838 CA ARG A 56 -5.345 11.449 -3.807 1.00 0.00 C ATOM 839 C ARG A 56 -5.317 10.985 -2.348 1.00 0.00 C ATOM 840 O ARG A 56 -5.285 11.816 -1.449 1.00 0.00 O ATOM 841 CB ARG A 56 -6.780 11.512 -4.364 1.00 0.00 C ATOM 842 CG ARG A 56 -7.560 10.204 -4.347 1.00 0.00 C ATOM 843 CD ARG A 56 -8.458 10.095 -3.125 1.00 0.00 C ATOM 844 NE ARG A 56 -9.364 8.952 -3.209 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.022 8.451 -2.168 1.00 0.00 C ATOM 846 NH1 ARG A 56 -9.920 9.029 -0.974 1.00 0.00 N ATOM 847 NH2 ARG A 56 -10.801 7.385 -2.322 1.00 0.00 N ATOM 0 H ARG A 56 -4.960 9.956 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.954 12.466 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.339 12.253 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.734 11.872 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.166 10.131 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.863 9.366 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.842 10.004 -2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.039 11.011 -3.020 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.500 8.513 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.337 9.857 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.425 8.644 -0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.895 6.950 -3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.305 7.002 -1.522 1.00 0.00 H new ATOM 861 N GLU A 57 -5.305 9.673 -2.115 1.00 0.00 N ATOM 862 CA GLU A 57 -5.249 9.138 -0.749 1.00 0.00 C ATOM 863 C GLU A 57 -3.993 9.611 -0.017 1.00 0.00 C ATOM 864 O GLU A 57 -4.064 10.051 1.131 1.00 0.00 O ATOM 865 CB GLU A 57 -5.306 7.604 -0.754 1.00 0.00 C ATOM 866 CG GLU A 57 -6.680 7.032 -1.087 1.00 0.00 C ATOM 867 CD GLU A 57 -7.670 7.124 0.064 1.00 0.00 C ATOM 868 OE1 GLU A 57 -7.689 8.155 0.761 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.455 6.166 0.258 1.00 0.00 O ATOM 0 H GLU A 57 -5.333 8.963 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.121 9.518 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.583 7.227 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.999 7.237 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.086 7.562 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.569 5.987 -1.378 1.00 0.00 H new ATOM 876 N LEU A 58 -2.843 9.542 -0.680 1.00 0.00 N ATOM 877 CA LEU A 58 -1.601 10.010 -0.069 1.00 0.00 C ATOM 878 C LEU A 58 -1.639 11.523 0.080 1.00 0.00 C ATOM 879 O LEU A 58 -1.081 12.081 1.012 1.00 0.00 O ATOM 880 CB LEU A 58 -0.381 9.616 -0.894 1.00 0.00 C ATOM 881 CG LEU A 58 -0.325 8.155 -1.331 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.994 7.868 -2.020 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.530 7.221 -0.150 1.00 0.00 C ATOM 0 H LEU A 58 -2.743 9.173 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.516 9.537 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.348 10.244 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.515 9.838 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.136 7.977 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.024 6.823 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.093 8.508 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.815 8.067 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.485 6.187 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.252 7.393 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.504 7.412 0.300 1.00 0.00 H new ATOM 895 N ARG A 59 -2.282 12.175 -0.868 1.00 0.00 N ATOM 896 CA ARG A 59 -2.491 13.613 -0.815 1.00 0.00 C ATOM 897 C ARG A 59 -3.291 14.005 0.424 1.00 0.00 C ATOM 898 O ARG A 59 -3.044 15.048 1.029 1.00 0.00 O ATOM 899 CB ARG A 59 -3.205 14.047 -2.094 1.00 0.00 C ATOM 900 CG ARG A 59 -3.749 15.462 -2.093 1.00 0.00 C ATOM 901 CD ARG A 59 -4.595 15.682 -3.334 1.00 0.00 C ATOM 902 NE ARG A 59 -4.009 16.633 -4.276 1.00 0.00 N ATOM 903 CZ ARG A 59 -4.654 17.103 -5.347 1.00 0.00 C ATOM 904 NH1 ARG A 59 -5.919 16.761 -5.568 1.00 0.00 N ATOM 905 NH2 ARG A 59 -4.040 17.925 -6.184 1.00 0.00 N ATOM 0 H ARG A 59 -2.674 11.727 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.529 14.121 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.511 13.944 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.031 13.360 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.347 15.632 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.928 16.178 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.742 14.727 -3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.580 16.039 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.056 16.955 -4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.400 16.138 -4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.409 17.121 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.073 18.200 -6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.534 18.283 -7.001 1.00 0.00 H new ATOM 919 N GLU A 60 -4.239 13.157 0.809 1.00 0.00 N ATOM 920 CA GLU A 60 -5.091 13.448 1.949 1.00 0.00 C ATOM 921 C GLU A 60 -4.471 12.967 3.262 1.00 0.00 C ATOM 922 O GLU A 60 -4.554 13.657 4.279 1.00 0.00 O ATOM 923 CB GLU A 60 -6.486 12.833 1.760 1.00 0.00 C ATOM 924 CG GLU A 60 -7.140 13.219 0.443 1.00 0.00 C ATOM 925 CD GLU A 60 -8.627 12.916 0.400 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.414 13.723 0.948 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.020 11.891 -0.198 1.00 0.00 O ATOM 0 H GLU A 60 -4.434 12.268 0.349 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.190 14.532 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.407 11.747 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.128 13.147 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.988 14.284 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.644 12.689 -0.370 1.00 0.00 H new ATOM 934 N GLU A 61 -3.847 11.793 3.249 1.00 0.00 N ATOM 935 CA GLU A 61 -3.246 11.256 4.466 1.00 0.00 C ATOM 936 C GLU A 61 -1.814 11.735 4.644 1.00 0.00 C ATOM 937 O GLU A 61 -1.447 12.228 5.707 1.00 0.00 O ATOM 938 CB GLU A 61 -3.253 9.728 4.489 1.00 0.00 C ATOM 939 CG GLU A 61 -4.605 9.108 4.729 1.00 0.00 C ATOM 940 CD GLU A 61 -4.628 8.362 6.045 1.00 0.00 C ATOM 941 OE1 GLU A 61 -3.871 8.753 6.973 1.00 0.00 O ATOM 942 OE2 GLU A 61 -5.349 7.357 6.154 1.00 0.00 O ATOM 0 H GLU A 61 -3.745 11.203 2.423 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.861 11.627 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.864 9.362 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.569 9.387 5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.370 9.884 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.847 8.425 3.914 1.00 0.00 H new ATOM 949 N LEU A 62 -1.010 11.590 3.601 1.00 0.00 N ATOM 950 CA LEU A 62 0.424 11.820 3.710 1.00 0.00 C ATOM 951 C LEU A 62 0.808 13.218 3.253 1.00 0.00 C ATOM 952 O LEU A 62 1.991 13.550 3.221 1.00 0.00 O ATOM 953 CB LEU A 62 1.199 10.787 2.889 1.00 0.00 C ATOM 954 CG LEU A 62 0.862 9.324 3.177 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.737 8.420 2.331 1.00 0.00 C ATOM 956 CD2 LEU A 62 1.041 8.997 4.654 1.00 0.00 C ATOM 0 H LEU A 62 -1.325 11.315 2.671 1.00 0.00 H new ATOM 0 HA LEU A 62 0.685 11.720 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.019 10.981 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.265 10.937 3.063 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.184 9.157 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.493 7.378 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.563 8.629 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.785 8.602 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.794 7.950 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.076 9.178 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.381 9.629 5.249 1.00 0.00 H new ATOM 968 N GLY A 63 -0.187 14.041 2.932 1.00 0.00 N ATOM 969 CA GLY A 63 0.075 15.372 2.414 1.00 0.00 C ATOM 970 C GLY A 63 1.011 15.406 1.216 1.00 0.00 C ATOM 971 O GLY A 63 1.702 16.407 1.001 1.00 0.00 O ATOM 0 H GLY A 63 -1.176 13.807 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.872 15.832 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.502 15.981 3.211 1.00 0.00 H new ATOM 975 N ILE A 64 1.046 14.336 0.427 1.00 0.00 N ATOM 976 CA ILE A 64 1.909 14.310 -0.747 1.00 0.00 C ATOM 977 C ILE A 64 1.146 13.893 -1.991 1.00 0.00 C ATOM 978 O ILE A 64 0.358 12.949 -1.975 1.00 0.00 O ATOM 979 CB ILE A 64 3.148 13.394 -0.587 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.750 11.933 -0.341 1.00 0.00 C ATOM 981 CG2 ILE A 64 4.042 13.899 0.529 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.938 10.990 -0.313 1.00 0.00 C ATOM 0 H ILE A 64 0.497 13.490 0.576 1.00 0.00 H new ATOM 0 HA ILE A 64 2.265 15.334 -0.855 1.00 0.00 H new ATOM 0 HB ILE A 64 3.703 13.427 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.215 11.863 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.059 11.614 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.907 13.243 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.377 14.910 0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.485 13.907 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.591 9.972 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.460 11.034 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.619 11.286 0.485 1.00 0.00 H new ATOM 994 N GLU A 65 1.393 14.611 -3.067 1.00 0.00 N ATOM 995 CA GLU A 65 0.800 14.297 -4.353 1.00 0.00 C ATOM 996 C GLU A 65 1.752 13.370 -5.105 1.00 0.00 C ATOM 997 O GLU A 65 2.717 13.815 -5.725 1.00 0.00 O ATOM 998 CB GLU A 65 0.534 15.582 -5.145 1.00 0.00 C ATOM 999 CG GLU A 65 -0.114 16.673 -4.300 1.00 0.00 C ATOM 1000 CD GLU A 65 -0.435 17.932 -5.081 1.00 0.00 C ATOM 1001 OE1 GLU A 65 0.492 18.541 -5.651 1.00 0.00 O ATOM 1002 OE2 GLU A 65 -1.626 18.318 -5.118 1.00 0.00 O ATOM 0 H GLU A 65 2.007 15.425 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.159 13.797 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.474 15.954 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.112 15.354 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.032 16.284 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.552 16.926 -3.475 1.00 0.00 H new ATOM 1009 N ALA A 66 1.502 12.080 -4.983 1.00 0.00 N ATOM 1010 CA ALA A 66 2.402 11.053 -5.494 1.00 0.00 C ATOM 1011 C ALA A 66 2.158 10.758 -6.966 1.00 0.00 C ATOM 1012 O ALA A 66 1.120 11.112 -7.513 1.00 0.00 O ATOM 1013 CB ALA A 66 2.244 9.781 -4.683 1.00 0.00 C ATOM 0 H ALA A 66 0.668 11.710 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 66 3.420 11.432 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.919 9.017 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.484 9.983 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.216 9.428 -4.757 1.00 0.00 H new ATOM 1019 N THR A 67 3.135 10.137 -7.610 1.00 0.00 N ATOM 1020 CA THR A 67 2.959 9.662 -8.966 1.00 0.00 C ATOM 1021 C THR A 67 3.071 8.140 -8.972 1.00 0.00 C ATOM 1022 O THR A 67 3.844 7.560 -8.205 1.00 0.00 O ATOM 1023 CB THR A 67 3.974 10.273 -9.955 1.00 0.00 C ATOM 1024 OG1 THR A 67 3.598 9.936 -11.296 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.379 9.766 -9.686 1.00 0.00 C ATOM 0 H THR A 67 4.056 9.952 -7.212 1.00 0.00 H new ATOM 0 HA THR A 67 1.972 9.978 -9.304 1.00 0.00 H new ATOM 0 HB THR A 67 3.968 11.355 -9.823 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.242 10.326 -11.924 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.070 10.215 -10.399 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.676 10.037 -8.673 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.401 8.681 -9.793 1.00 0.00 H new ATOM 1033 N VAL A 68 2.282 7.497 -9.810 1.00 0.00 N ATOM 1034 CA VAL A 68 2.266 6.047 -9.876 1.00 0.00 C ATOM 1035 C VAL A 68 2.913 5.583 -11.175 1.00 0.00 C ATOM 1036 O VAL A 68 2.437 5.920 -12.260 1.00 0.00 O ATOM 1037 CB VAL A 68 0.823 5.502 -9.783 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.817 3.985 -9.806 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.132 6.024 -8.531 1.00 0.00 C ATOM 0 H VAL A 68 1.641 7.957 -10.457 1.00 0.00 H new ATOM 0 HA VAL A 68 2.831 5.659 -9.028 1.00 0.00 H new ATOM 0 HB VAL A 68 0.269 5.856 -10.652 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.209 3.624 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.266 3.633 -10.735 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.390 3.606 -8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.883 5.629 -8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.687 5.704 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.096 7.113 -8.562 1.00 0.00 H new ATOM 1049 N GLY A 69 3.991 4.808 -11.079 1.00 0.00 N ATOM 1050 CA GLY A 69 4.715 4.445 -12.279 1.00 0.00 C ATOM 1051 C GLY A 69 5.665 3.270 -12.106 1.00 0.00 C ATOM 1052 O GLY A 69 6.846 3.402 -12.414 1.00 0.00 O ATOM 0 H GLY A 69 4.368 4.433 -10.209 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.997 4.204 -13.063 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.284 5.309 -12.622 1.00 0.00 H new ATOM 1056 N GLU A 70 5.134 2.119 -11.657 1.00 0.00 N ATOM 1057 CA GLU A 70 5.899 0.867 -11.481 1.00 0.00 C ATOM 1058 C GLU A 70 5.132 -0.078 -10.551 1.00 0.00 C ATOM 1059 O GLU A 70 5.017 0.158 -9.343 1.00 0.00 O ATOM 1060 CB GLU A 70 7.342 1.072 -10.977 1.00 0.00 C ATOM 1061 CG GLU A 70 7.477 1.822 -9.666 1.00 0.00 C ATOM 1062 CD GLU A 70 8.926 2.005 -9.269 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.532 1.042 -8.747 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.466 3.108 -9.466 1.00 0.00 O ATOM 0 H GLU A 70 4.150 2.029 -11.403 1.00 0.00 H new ATOM 0 HA GLU A 70 6.000 0.425 -12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.811 0.095 -10.866 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.902 1.610 -11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.999 2.797 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.951 1.279 -8.881 1.00 0.00 H new ATOM 1071 N TYR A 71 4.561 -1.122 -11.138 1.00 0.00 N ATOM 1072 CA TYR A 71 3.721 -2.069 -10.410 1.00 0.00 C ATOM 1073 C TYR A 71 4.555 -3.092 -9.640 1.00 0.00 C ATOM 1074 O TYR A 71 5.475 -3.696 -10.193 1.00 0.00 O ATOM 1075 CB TYR A 71 2.796 -2.770 -11.406 1.00 0.00 C ATOM 1076 CG TYR A 71 1.801 -3.722 -10.788 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.688 -3.253 -10.104 1.00 0.00 C ATOM 1078 CD2 TYR A 71 1.963 -5.094 -10.915 1.00 0.00 C ATOM 1079 CE1 TYR A 71 -0.234 -4.124 -9.562 1.00 0.00 C ATOM 1080 CE2 TYR A 71 1.049 -5.969 -10.372 1.00 0.00 C ATOM 1081 CZ TYR A 71 -0.048 -5.481 -9.699 1.00 0.00 C ATOM 1082 OH TYR A 71 -0.966 -6.353 -9.172 1.00 0.00 O ATOM 0 H TYR A 71 4.666 -1.337 -12.130 1.00 0.00 H new ATOM 0 HA TYR A 71 3.132 -1.522 -9.673 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.251 -2.012 -11.968 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.407 -3.320 -12.122 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.542 -2.189 -9.994 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.819 -5.482 -11.448 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.096 -3.744 -9.034 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.192 -7.035 -10.474 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.047 -7.135 -9.756 1.00 0.00 H new ATOM 1092 N VAL A 72 4.231 -3.286 -8.363 1.00 0.00 N ATOM 1093 CA VAL A 72 4.952 -4.254 -7.542 1.00 0.00 C ATOM 1094 C VAL A 72 4.218 -5.588 -7.476 1.00 0.00 C ATOM 1095 O VAL A 72 4.647 -6.571 -8.082 1.00 0.00 O ATOM 1096 CB VAL A 72 5.145 -3.734 -6.105 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.875 -4.758 -5.247 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.885 -2.406 -6.114 1.00 0.00 C ATOM 0 H VAL A 72 3.482 -2.791 -7.879 1.00 0.00 H new ATOM 0 HA VAL A 72 5.924 -4.397 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 72 4.160 -3.574 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.998 -4.365 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.296 -5.681 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.855 -4.962 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.012 -2.054 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.863 -2.538 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.311 -1.673 -6.681 1.00 0.00 H new ATOM 1108 N ALA A 73 3.094 -5.615 -6.766 1.00 0.00 N ATOM 1109 CA ALA A 73 2.320 -6.845 -6.629 1.00 0.00 C ATOM 1110 C ALA A 73 0.895 -6.562 -6.175 1.00 0.00 C ATOM 1111 O ALA A 73 0.503 -5.408 -6.007 1.00 0.00 O ATOM 1112 CB ALA A 73 2.998 -7.789 -5.645 1.00 0.00 C ATOM 0 H ALA A 73 2.702 -4.808 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 73 2.275 -7.317 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.410 -8.702 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.996 -8.035 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.074 -7.306 -4.671 1.00 0.00 H new ATOM 1118 N SER A 74 0.121 -7.623 -5.992 1.00 0.00 N ATOM 1119 CA SER A 74 -1.235 -7.510 -5.487 1.00 0.00 C ATOM 1120 C SER A 74 -1.526 -8.647 -4.513 1.00 0.00 C ATOM 1121 O SER A 74 -0.894 -9.702 -4.573 1.00 0.00 O ATOM 1122 CB SER A 74 -2.237 -7.538 -6.646 1.00 0.00 C ATOM 1123 OG SER A 74 -2.043 -8.676 -7.471 1.00 0.00 O ATOM 0 H SER A 74 0.416 -8.580 -6.189 1.00 0.00 H new ATOM 0 HA SER A 74 -1.336 -6.560 -4.962 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.253 -7.542 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.131 -6.632 -7.243 1.00 0.00 H new ATOM 0 HG SER A 74 -1.636 -8.400 -8.319 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.458 -8.422 -3.601 1.00 0.00 N ATOM 1130 CA HIS A 75 -2.891 -9.466 -2.688 1.00 0.00 C ATOM 1131 C HIS A 75 -4.379 -9.323 -2.416 1.00 0.00 C ATOM 1132 O HIS A 75 -4.912 -8.212 -2.383 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.107 -9.428 -1.370 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.418 -10.586 -0.465 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -1.979 -11.872 -0.705 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -3.140 -10.648 0.676 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -2.420 -12.671 0.251 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.126 -11.951 1.100 1.00 0.00 N ATOM 0 H HIS A 75 -2.929 -7.526 -3.474 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.695 -10.429 -3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.039 -9.423 -1.589 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.330 -8.497 -0.848 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.637 -9.822 1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.234 -13.732 0.324 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.587 -12.306 1.937 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.046 -10.444 -2.239 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.466 -10.445 -1.959 1.00 0.00 C ATOM 1149 C GLN A 76 -6.755 -10.912 -0.545 1.00 0.00 C ATOM 1150 O GLN A 76 -6.107 -11.823 -0.026 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.205 -11.315 -2.969 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.401 -10.627 -4.303 1.00 0.00 C ATOM 1153 CD GLN A 76 -7.921 -11.564 -5.375 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -7.144 -12.186 -6.099 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -9.235 -11.673 -5.479 1.00 0.00 N ATOM 0 H GLN A 76 -4.624 -11.372 -2.285 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.823 -9.419 -2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.649 -12.240 -3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.177 -11.591 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.099 -9.799 -4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.453 -10.199 -4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.842 -11.138 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.641 -12.292 -6.181 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.723 -10.261 0.067 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.200 -10.618 1.392 1.00 0.00 C ATOM 1166 C ARG A 77 -9.680 -10.313 1.412 1.00 0.00 C ATOM 1167 O ARG A 77 -10.139 -9.552 0.578 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.439 -9.843 2.490 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.780 -8.355 2.600 1.00 0.00 C ATOM 1170 CD ARG A 77 -6.737 -7.607 3.438 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.130 -6.225 3.763 1.00 0.00 N ATOM 1172 CZ ARG A 77 -6.326 -5.329 4.373 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -5.077 -5.639 4.701 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -6.770 -4.113 4.652 1.00 0.00 N ATOM 0 H ARG A 77 -8.206 -9.462 -0.343 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.024 -11.673 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.640 -10.316 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.369 -9.940 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.832 -7.917 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.765 -8.238 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.565 -8.155 4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.791 -7.590 2.897 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.072 -5.926 3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.710 -6.568 4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.484 -4.948 5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.724 -3.849 4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.158 -3.440 5.113 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.445 -10.907 2.301 1.00 0.00 N ATOM 1189 CA GLU A 78 -11.879 -10.662 2.285 1.00 0.00 C ATOM 1190 C GLU A 78 -12.317 -9.900 3.524 1.00 0.00 C ATOM 1191 O GLU A 78 -11.695 -10.000 4.583 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.668 -11.970 2.171 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.853 -12.689 3.494 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.583 -14.003 3.350 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -12.957 -14.990 2.912 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -14.780 -14.059 3.696 1.00 0.00 O ATOM 0 H GLU A 78 -10.116 -11.545 3.026 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.092 -10.054 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.648 -11.757 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.155 -12.634 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.877 -12.869 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.406 -12.045 4.178 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.378 -9.126 3.381 1.00 0.00 N ATOM 1204 CA VAL A 79 -14.011 -8.506 4.520 1.00 0.00 C ATOM 1205 C VAL A 79 -15.460 -8.991 4.577 1.00 0.00 C ATOM 1206 O VAL A 79 -16.342 -8.442 3.918 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.925 -6.955 4.484 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -14.353 -6.400 3.135 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.743 -6.337 5.613 1.00 0.00 C ATOM 0 H VAL A 79 -13.816 -8.915 2.484 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.481 -8.800 5.426 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.880 -6.682 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.279 -5.313 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.703 -6.798 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.384 -6.691 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.666 -5.251 5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.787 -6.632 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.361 -6.686 6.572 1.00 0.00 H new ATOM 1219 N SER A 80 -15.664 -10.060 5.344 1.00 0.00 N ATOM 1220 CA SER A 80 -16.955 -10.745 5.450 1.00 0.00 C ATOM 1221 C SER A 80 -17.693 -10.841 4.107 1.00 0.00 C ATOM 1222 O SER A 80 -18.638 -10.093 3.841 1.00 0.00 O ATOM 1223 CB SER A 80 -17.829 -10.082 6.511 1.00 0.00 C ATOM 1224 OG SER A 80 -17.233 -10.215 7.793 1.00 0.00 O ATOM 0 H SER A 80 -14.932 -10.481 5.916 1.00 0.00 H new ATOM 0 HA SER A 80 -16.745 -11.769 5.757 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.965 -9.027 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.819 -10.538 6.513 1.00 0.00 H new ATOM 0 HG SER A 80 -17.802 -9.784 8.465 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.237 -11.757 3.261 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.904 -12.023 1.997 1.00 0.00 C ATOM 1232 C GLY A 81 -17.456 -11.129 0.856 1.00 0.00 C ATOM 1233 O GLY A 81 -17.571 -11.507 -0.308 1.00 0.00 O ATOM 0 H GLY A 81 -16.408 -12.327 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.730 -13.062 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.979 -11.906 2.135 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.940 -9.951 1.170 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.448 -9.049 0.140 1.00 0.00 C ATOM 1239 C ARG A 82 -14.961 -9.256 -0.068 1.00 0.00 C ATOM 1240 O ARG A 82 -14.203 -9.318 0.891 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.722 -7.596 0.518 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.191 -7.230 0.502 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.397 -5.768 0.853 1.00 0.00 C ATOM 1244 NE ARG A 82 -19.799 -5.367 0.768 1.00 0.00 N ATOM 1245 CZ ARG A 82 -20.569 -5.108 1.826 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -20.088 -5.248 3.057 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -21.824 -4.714 1.655 1.00 0.00 N ATOM 0 H ARG A 82 -16.851 -9.599 2.123 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.974 -9.271 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.320 -7.407 1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.186 -6.943 -0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.608 -7.432 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.732 -7.857 1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.030 -5.584 1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.803 -5.149 0.181 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.216 -5.280 -0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.125 -5.555 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.681 -5.048 3.862 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.202 -4.609 0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.411 -4.516 2.465 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.541 -9.349 -1.315 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.144 -9.613 -1.617 1.00 0.00 C ATOM 1263 C ILE A 83 -12.407 -8.300 -1.837 1.00 0.00 C ATOM 1264 O ILE A 83 -12.687 -7.572 -2.786 1.00 0.00 O ATOM 1265 CB ILE A 83 -12.967 -10.530 -2.858 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.403 -11.975 -2.559 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.519 -10.518 -3.329 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -14.889 -12.150 -2.322 1.00 0.00 C ATOM 0 H ILE A 83 -15.142 -9.247 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.722 -10.141 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.606 -10.136 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.104 -12.610 -3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.864 -12.328 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.414 -11.166 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.232 -9.501 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.873 -10.878 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.104 -13.199 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.195 -11.545 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.439 -11.832 -3.208 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.484 -7.992 -0.944 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.701 -6.780 -1.055 1.00 0.00 C ATOM 1282 C ILE A 84 -9.465 -7.046 -1.901 1.00 0.00 C ATOM 1283 O ILE A 84 -8.725 -8.004 -1.667 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.277 -6.210 0.321 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -11.006 -6.900 1.470 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.580 -4.734 0.388 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -11.016 -6.073 2.737 1.00 0.00 C ATOM 0 H ILE A 84 -11.260 -8.568 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.335 -6.031 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.206 -6.388 0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -12.033 -7.109 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.531 -7.860 1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.278 -4.344 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.032 -4.214 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.650 -4.576 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.548 -6.613 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.991 -5.886 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.516 -5.123 2.548 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.257 -6.198 -2.885 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.202 -6.386 -3.859 1.00 0.00 C ATOM 1301 C HIS A 85 -7.131 -5.323 -3.661 1.00 0.00 C ATOM 1302 O HIS A 85 -7.338 -4.164 -4.006 1.00 0.00 O ATOM 1303 CB HIS A 85 -8.798 -6.280 -5.265 1.00 0.00 C ATOM 1304 CG HIS A 85 -8.041 -7.020 -6.324 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -8.614 -8.006 -7.097 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -6.766 -6.901 -6.756 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -7.724 -8.460 -7.958 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.589 -7.806 -7.777 1.00 0.00 N ATOM 0 H HIS A 85 -9.815 -5.357 -3.033 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.748 -7.369 -3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.821 -6.655 -5.240 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -8.851 -5.228 -5.544 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -9.576 -8.334 -7.016 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.022 -6.220 -6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.894 -9.237 -8.689 1.00 0.00 H new ATOM 1317 N LEU A 86 -5.999 -5.709 -3.095 1.00 0.00 N ATOM 1318 CA LEU A 86 -4.943 -4.748 -2.813 1.00 0.00 C ATOM 1319 C LEU A 86 -3.941 -4.673 -3.953 1.00 0.00 C ATOM 1320 O LEU A 86 -3.351 -5.677 -4.347 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.218 -5.072 -1.504 1.00 0.00 C ATOM 1322 CG LEU A 86 -4.974 -4.697 -0.225 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.068 -5.710 0.084 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.009 -4.569 0.942 1.00 0.00 C ATOM 0 H LEU A 86 -5.788 -6.669 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.424 -3.776 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.006 -6.141 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.258 -4.556 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.453 -3.731 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.587 -5.418 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.778 -5.743 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.623 -6.696 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.561 -4.302 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.498 -5.519 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.275 -3.794 0.724 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.770 -3.474 -4.481 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.789 -3.214 -5.526 1.00 0.00 C ATOM 1338 C HIS A 87 -1.605 -2.448 -4.950 1.00 0.00 C ATOM 1339 O HIS A 87 -1.763 -1.312 -4.514 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.417 -2.393 -6.652 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.237 -3.183 -7.622 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -5.612 -3.257 -7.579 1.00 0.00 N ATOM 1343 CD2 HIS A 87 -3.864 -3.904 -8.705 1.00 0.00 C ATOM 1344 CE1 HIS A 87 -6.042 -3.983 -8.588 1.00 0.00 C ATOM 1345 NE2 HIS A 87 -5.003 -4.389 -9.293 1.00 0.00 N ATOM 0 H HIS A 87 -4.305 -2.653 -4.200 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.448 -4.170 -5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.046 -1.620 -6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.623 -1.885 -7.199 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.204 -2.817 -6.875 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.852 -4.068 -9.044 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.076 -4.210 -8.804 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.427 -3.060 -4.947 1.00 0.00 N ATOM 1355 CA ALA A 88 0.759 -2.412 -4.398 1.00 0.00 C ATOM 1356 C ALA A 88 1.595 -1.777 -5.500 1.00 0.00 C ATOM 1357 O ALA A 88 2.110 -2.466 -6.386 1.00 0.00 O ATOM 1358 CB ALA A 88 1.600 -3.406 -3.605 1.00 0.00 C ATOM 0 H ALA A 88 -0.267 -3.998 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 88 0.425 -1.623 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.479 -2.901 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.008 -3.809 -2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.915 -4.219 -4.259 1.00 0.00 H new ATOM 1364 N TRP A 89 1.721 -0.462 -5.441 1.00 0.00 N ATOM 1365 CA TRP A 89 2.558 0.275 -6.372 1.00 0.00 C ATOM 1366 C TRP A 89 3.683 0.980 -5.629 1.00 0.00 C ATOM 1367 O TRP A 89 3.547 1.319 -4.453 1.00 0.00 O ATOM 1368 CB TRP A 89 1.741 1.311 -7.152 1.00 0.00 C ATOM 1369 CG TRP A 89 1.052 0.768 -8.370 1.00 0.00 C ATOM 1370 CD1 TRP A 89 1.648 0.373 -9.532 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.358 0.599 -8.568 1.00 0.00 C ATOM 1372 NE1 TRP A 89 0.701 -0.046 -10.433 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -0.538 0.083 -9.866 1.00 0.00 C ATOM 1374 CE3 TRP A 89 -1.485 0.827 -7.775 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -1.797 -0.207 -10.386 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 -2.734 0.538 -8.294 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -2.881 0.027 -9.589 1.00 0.00 C ATOM 0 H TRP A 89 1.249 0.122 -4.751 1.00 0.00 H new ATOM 0 HA TRP A 89 2.978 -0.443 -7.077 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.992 1.741 -6.487 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.402 2.123 -7.455 1.00 0.00 H new ATOM 0 HD1 TRP A 89 2.712 0.388 -9.716 1.00 0.00 H new ATOM 0 HE1 TRP A 89 0.890 -0.396 -11.372 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -1.383 1.222 -6.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.912 -0.603 -11.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.612 0.710 -7.689 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.871 -0.186 -9.965 1.00 0.00 H new ATOM 1388 N HIS A 90 4.790 1.190 -6.313 1.00 0.00 N ATOM 1389 CA HIS A 90 5.879 1.976 -5.764 1.00 0.00 C ATOM 1390 C HIS A 90 5.808 3.381 -6.338 1.00 0.00 C ATOM 1391 O HIS A 90 5.715 3.555 -7.550 1.00 0.00 O ATOM 1392 CB HIS A 90 7.238 1.323 -6.072 1.00 0.00 C ATOM 1393 CG HIS A 90 8.436 2.155 -5.682 1.00 0.00 C ATOM 1394 ND1 HIS A 90 9.603 2.176 -6.412 1.00 0.00 N ATOM 1395 CD2 HIS A 90 8.644 2.992 -4.636 1.00 0.00 C ATOM 1396 CE1 HIS A 90 10.473 2.982 -5.841 1.00 0.00 C ATOM 1397 NE2 HIS A 90 9.917 3.494 -4.762 1.00 0.00 N ATOM 0 H HIS A 90 4.960 0.827 -7.251 1.00 0.00 H new ATOM 0 HA HIS A 90 5.782 2.023 -4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.292 0.366 -5.554 1.00 0.00 H new ATOM 0 HB3 HIS A 90 7.291 1.111 -7.140 1.00 0.00 H new ATOM 0 HD1 HIS A 90 9.769 1.646 -7.268 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.940 3.222 -3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.472 3.188 -6.196 1.00 0.00 H new ATOM 1406 N VAL A 91 5.814 4.374 -5.467 1.00 0.00 N ATOM 1407 CA VAL A 91 5.824 5.758 -5.904 1.00 0.00 C ATOM 1408 C VAL A 91 7.263 6.256 -6.042 1.00 0.00 C ATOM 1409 O VAL A 91 7.975 6.433 -5.050 1.00 0.00 O ATOM 1410 CB VAL A 91 5.017 6.674 -4.948 1.00 0.00 C ATOM 1411 CG1 VAL A 91 3.529 6.371 -5.058 1.00 0.00 C ATOM 1412 CG2 VAL A 91 5.480 6.517 -3.506 1.00 0.00 C ATOM 0 H VAL A 91 5.812 4.248 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 91 5.337 5.802 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 91 5.194 7.707 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.974 7.021 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.197 6.545 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.349 5.330 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.894 7.173 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.344 5.483 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.534 6.783 -3.431 1.00 0.00 H new ATOM 1422 N PRO A 92 7.725 6.439 -7.289 1.00 0.00 N ATOM 1423 CA PRO A 92 9.093 6.881 -7.566 1.00 0.00 C ATOM 1424 C PRO A 92 9.302 8.353 -7.226 1.00 0.00 C ATOM 1425 O PRO A 92 10.422 8.787 -6.964 1.00 0.00 O ATOM 1426 CB PRO A 92 9.247 6.645 -9.073 1.00 0.00 C ATOM 1427 CG PRO A 92 7.861 6.720 -9.616 1.00 0.00 C ATOM 1428 CD PRO A 92 6.953 6.217 -8.527 1.00 0.00 C ATOM 0 HA PRO A 92 9.827 6.345 -6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.891 7.398 -9.527 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.699 5.674 -9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.607 7.743 -9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.763 6.113 -10.516 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.009 6.761 -8.512 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.712 5.163 -8.663 1.00 0.00 H new ATOM 1436 N ASP A 93 8.214 9.111 -7.213 1.00 0.00 N ATOM 1437 CA ASP A 93 8.287 10.539 -6.951 1.00 0.00 C ATOM 1438 C ASP A 93 7.000 11.031 -6.299 1.00 0.00 C ATOM 1439 O ASP A 93 5.909 10.535 -6.598 1.00 0.00 O ATOM 1440 CB ASP A 93 8.541 11.302 -8.254 1.00 0.00 C ATOM 1441 CG ASP A 93 8.775 12.784 -8.035 1.00 0.00 C ATOM 1442 OD1 ASP A 93 9.940 13.180 -7.810 1.00 0.00 O ATOM 1443 OD2 ASP A 93 7.799 13.559 -8.081 1.00 0.00 O ATOM 0 H ASP A 93 7.271 8.760 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 93 9.115 10.722 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.408 10.873 -8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.688 11.169 -8.919 1.00 0.00 H new ATOM 1448 N PHE A 94 7.137 11.980 -5.390 1.00 0.00 N ATOM 1449 CA PHE A 94 5.994 12.588 -4.729 1.00 0.00 C ATOM 1450 C PHE A 94 6.172 14.097 -4.628 1.00 0.00 C ATOM 1451 O PHE A 94 7.261 14.623 -4.858 1.00 0.00 O ATOM 1452 CB PHE A 94 5.759 11.977 -3.337 1.00 0.00 C ATOM 1453 CG PHE A 94 6.986 11.901 -2.463 1.00 0.00 C ATOM 1454 CD1 PHE A 94 7.588 13.049 -1.971 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.531 10.672 -2.136 1.00 0.00 C ATOM 1456 CE1 PHE A 94 8.708 12.970 -1.166 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.652 10.586 -1.331 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.243 11.737 -0.847 1.00 0.00 C ATOM 0 H PHE A 94 8.039 12.350 -5.090 1.00 0.00 H new ATOM 0 HA PHE A 94 5.112 12.382 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 94 4.999 12.564 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.356 10.972 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.177 14.016 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.075 9.769 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.165 13.872 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 94 9.065 9.620 -1.081 1.00 0.00 H new ATOM 0 HZ PHE A 94 10.121 11.673 -0.221 1.00 0.00 H new ATOM 1468 N HIS A 95 5.097 14.782 -4.275 1.00 0.00 N ATOM 1469 CA HIS A 95 5.090 16.234 -4.189 1.00 0.00 C ATOM 1470 C HIS A 95 4.678 16.646 -2.781 1.00 0.00 C ATOM 1471 O HIS A 95 3.582 16.314 -2.334 1.00 0.00 O ATOM 1472 CB HIS A 95 4.106 16.796 -5.228 1.00 0.00 C ATOM 1473 CG HIS A 95 3.944 18.292 -5.221 1.00 0.00 C ATOM 1474 ND1 HIS A 95 4.374 19.097 -6.251 1.00 0.00 N ATOM 1475 CD2 HIS A 95 3.356 19.121 -4.324 1.00 0.00 C ATOM 1476 CE1 HIS A 95 4.062 20.351 -5.989 1.00 0.00 C ATOM 1477 NE2 HIS A 95 3.442 20.396 -4.825 1.00 0.00 N ATOM 0 H HIS A 95 4.204 14.348 -4.040 1.00 0.00 H new ATOM 0 HA HIS A 95 6.084 16.631 -4.396 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.436 16.488 -6.220 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.130 16.341 -5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.903 18.831 -3.387 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.278 21.199 -6.621 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.086 21.238 -4.373 1.00 0.00 H new ATOM 1486 N GLY A 96 5.554 17.362 -2.091 1.00 0.00 N ATOM 1487 CA GLY A 96 5.251 17.811 -0.744 1.00 0.00 C ATOM 1488 C GLY A 96 6.061 17.072 0.303 1.00 0.00 C ATOM 1489 O GLY A 96 7.124 16.528 0.003 1.00 0.00 O ATOM 0 H GLY A 96 6.471 17.641 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.449 18.880 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.189 17.669 -0.546 1.00 0.00 H new ATOM 1493 N THR A 97 5.556 17.043 1.528 1.00 0.00 N ATOM 1494 CA THR A 97 6.235 16.372 2.622 1.00 0.00 C ATOM 1495 C THR A 97 5.306 15.341 3.253 1.00 0.00 C ATOM 1496 O THR A 97 4.149 15.640 3.551 1.00 0.00 O ATOM 1497 CB THR A 97 6.706 17.381 3.691 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.596 18.340 3.095 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.418 16.683 4.845 1.00 0.00 C ATOM 0 H THR A 97 4.672 17.480 1.788 1.00 0.00 H new ATOM 0 HA THR A 97 7.115 15.871 2.219 1.00 0.00 H new ATOM 0 HB THR A 97 5.823 17.883 4.087 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.891 18.980 3.776 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.736 17.424 5.578 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.738 15.974 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.290 16.151 4.466 1.00 0.00 H new ATOM 1507 N LEU A 98 5.822 14.137 3.455 1.00 0.00 N ATOM 1508 CA LEU A 98 5.008 13.031 3.937 1.00 0.00 C ATOM 1509 C LEU A 98 4.687 13.196 5.415 1.00 0.00 C ATOM 1510 O LEU A 98 5.580 13.273 6.258 1.00 0.00 O ATOM 1511 CB LEU A 98 5.677 11.672 3.678 1.00 0.00 C ATOM 1512 CG LEU A 98 7.194 11.615 3.879 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.609 10.234 4.365 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.910 11.937 2.573 1.00 0.00 C ATOM 0 H LEU A 98 6.801 13.901 3.292 1.00 0.00 H new ATOM 0 HA LEU A 98 4.074 13.050 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.217 10.933 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.456 11.371 2.654 1.00 0.00 H new ATOM 0 HG LEU A 98 7.472 12.355 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.690 10.207 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.116 10.018 5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.319 9.486 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.988 11.893 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.623 11.211 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.631 12.938 2.242 1.00 0.00 H new ATOM 1526 N GLN A 99 3.401 13.263 5.707 1.00 0.00 N ATOM 1527 CA GLN A 99 2.918 13.457 7.061 1.00 0.00 C ATOM 1528 C GLN A 99 1.834 12.431 7.368 1.00 0.00 C ATOM 1529 O GLN A 99 1.400 11.706 6.479 1.00 0.00 O ATOM 1530 CB GLN A 99 2.384 14.886 7.221 1.00 0.00 C ATOM 1531 CG GLN A 99 1.222 15.214 6.295 1.00 0.00 C ATOM 1532 CD GLN A 99 0.813 16.670 6.379 1.00 0.00 C ATOM 1533 OE1 GLN A 99 -0.052 17.045 7.173 1.00 0.00 O ATOM 1534 NE2 GLN A 99 1.435 17.505 5.562 1.00 0.00 N ATOM 0 H GLN A 99 2.661 13.184 5.010 1.00 0.00 H new ATOM 0 HA GLN A 99 3.736 13.317 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.066 15.032 8.253 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.195 15.590 7.035 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.500 14.976 5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.369 14.584 6.549 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.145 17.155 4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.204 18.498 5.575 1.00 0.00 H new ATOM 1543 N ALA A 100 1.415 12.352 8.619 1.00 0.00 N ATOM 1544 CA ALA A 100 0.392 11.391 9.003 1.00 0.00 C ATOM 1545 C ALA A 100 -0.893 12.089 9.437 1.00 0.00 C ATOM 1546 O ALA A 100 -0.945 12.728 10.490 1.00 0.00 O ATOM 1547 CB ALA A 100 0.913 10.475 10.098 1.00 0.00 C ATOM 0 H ALA A 100 1.762 12.935 9.381 1.00 0.00 H new ATOM 0 HA ALA A 100 0.152 10.784 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.137 9.761 10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.789 9.936 9.736 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.187 11.069 10.970 1.00 0.00 H new ATOM 1553 N HIS A 101 -1.922 11.975 8.607 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.215 12.592 8.876 1.00 0.00 C ATOM 1555 C HIS A 101 -4.084 11.676 9.734 1.00 0.00 C ATOM 1556 O HIS A 101 -4.375 11.985 10.890 1.00 0.00 O ATOM 1557 CB HIS A 101 -3.907 12.903 7.543 1.00 0.00 C ATOM 1558 CG HIS A 101 -5.340 13.339 7.644 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -5.767 14.383 8.434 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -6.446 12.852 7.035 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.076 14.519 8.306 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -7.511 13.602 7.462 1.00 0.00 N ATOM 0 H HIS A 101 -1.884 11.454 7.731 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.064 13.518 9.431 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.343 13.685 7.035 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.859 12.015 6.913 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.483 12.025 6.341 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.686 15.256 8.807 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.481 13.473 7.175 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.493 10.554 9.161 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.324 9.595 9.868 1.00 0.00 C ATOM 1573 C GLU A 102 -4.461 8.535 10.530 1.00 0.00 C ATOM 1574 O GLU A 102 -4.759 8.070 11.632 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.326 8.952 8.916 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.572 9.796 8.700 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.742 8.983 8.190 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -9.277 8.159 8.967 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -9.130 9.155 7.017 1.00 0.00 O ATOM 0 H GLU A 102 -4.261 10.286 8.205 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.879 10.123 10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.843 8.776 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.618 7.978 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.849 10.276 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.349 10.592 7.989 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.393 8.154 9.851 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.412 7.252 10.433 1.00 0.00 C ATOM 1588 C HIS A 103 -1.670 7.978 11.550 1.00 0.00 C ATOM 1589 O HIS A 103 -1.449 9.184 11.466 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.448 6.736 9.362 1.00 0.00 C ATOM 1591 CG HIS A 103 -2.091 5.794 8.379 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.967 6.196 7.393 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -1.980 4.451 8.244 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.364 5.144 6.699 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -2.779 4.072 7.197 1.00 0.00 N ATOM 0 H HIS A 103 -3.183 8.454 8.899 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.918 6.383 10.854 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.031 7.585 8.820 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.615 6.228 9.848 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -3.263 7.158 7.225 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.372 3.797 8.851 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.051 5.159 5.866 1.00 0.00 H new ATOM 1604 N GLN A 104 -1.311 7.260 12.603 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.768 7.901 13.791 1.00 0.00 C ATOM 1606 C GLN A 104 0.739 8.113 13.677 1.00 0.00 C ATOM 1607 O GLN A 104 1.206 9.246 13.586 1.00 0.00 O ATOM 1608 CB GLN A 104 -1.090 7.076 15.037 1.00 0.00 C ATOM 1609 CG GLN A 104 -0.920 7.851 16.334 1.00 0.00 C ATOM 1610 CD GLN A 104 -1.843 9.053 16.411 1.00 0.00 C ATOM 1611 OE1 GLN A 104 -2.972 8.951 16.884 1.00 0.00 O ATOM 1612 NE2 GLN A 104 -1.372 10.200 15.945 1.00 0.00 N ATOM 0 H GLN A 104 -1.384 6.244 12.660 1.00 0.00 H new ATOM 0 HA GLN A 104 -1.238 8.880 13.880 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.116 6.715 14.970 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -0.444 6.198 15.059 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.116 7.190 17.178 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.114 8.183 16.423 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.429 10.245 15.560 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.953 11.038 15.972 1.00 0.00 H new ATOM 1621 N ALA A 105 1.495 7.025 13.688 1.00 0.00 N ATOM 1622 CA ALA A 105 2.948 7.110 13.630 1.00 0.00 C ATOM 1623 C ALA A 105 3.455 6.590 12.293 1.00 0.00 C ATOM 1624 O ALA A 105 2.840 5.706 11.698 1.00 0.00 O ATOM 1625 CB ALA A 105 3.573 6.329 14.778 1.00 0.00 C ATOM 0 H ALA A 105 1.128 6.075 13.736 1.00 0.00 H new ATOM 0 HA ALA A 105 3.239 8.156 13.727 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.659 6.403 14.720 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.232 6.742 15.727 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.276 5.282 14.710 1.00 0.00 H new ATOM 1631 N LEU A 106 4.570 7.140 11.827 1.00 0.00 N ATOM 1632 CA LEU A 106 5.149 6.756 10.544 1.00 0.00 C ATOM 1633 C LEU A 106 6.617 6.438 10.707 1.00 0.00 C ATOM 1634 O LEU A 106 7.353 7.170 11.369 1.00 0.00 O ATOM 1635 CB LEU A 106 4.984 7.879 9.509 1.00 0.00 C ATOM 1636 CG LEU A 106 3.821 7.732 8.522 1.00 0.00 C ATOM 1637 CD1 LEU A 106 2.501 7.600 9.252 1.00 0.00 C ATOM 1638 CD2 LEU A 106 3.785 8.920 7.574 1.00 0.00 C ATOM 0 H LEU A 106 5.096 7.860 12.323 1.00 0.00 H new ATOM 0 HA LEU A 106 4.621 5.871 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.861 8.821 10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.909 7.955 8.938 1.00 0.00 H new ATOM 0 HG LEU A 106 3.978 6.822 7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.693 7.497 8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.527 6.720 9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.331 8.488 9.861 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.955 8.805 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.654 9.838 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.721 8.970 7.018 1.00 0.00 H new ATOM 1650 N VAL A 107 7.033 5.339 10.113 1.00 0.00 N ATOM 1651 CA VAL A 107 8.418 4.932 10.164 1.00 0.00 C ATOM 1652 C VAL A 107 8.948 4.669 8.769 1.00 0.00 C ATOM 1653 O VAL A 107 8.221 4.188 7.896 1.00 0.00 O ATOM 1654 CB VAL A 107 8.622 3.672 11.028 1.00 0.00 C ATOM 1655 CG1 VAL A 107 8.242 3.935 12.474 1.00 0.00 C ATOM 1656 CG2 VAL A 107 7.849 2.483 10.469 1.00 0.00 C ATOM 0 H VAL A 107 6.427 4.710 9.587 1.00 0.00 H new ATOM 0 HA VAL A 107 8.970 5.753 10.622 1.00 0.00 H new ATOM 0 HB VAL A 107 9.682 3.421 10.998 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.396 3.030 13.061 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.864 4.736 12.874 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.194 4.228 12.527 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.015 1.611 11.102 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.785 2.719 10.447 1.00 0.00 H new ATOM 0 HG23 VAL A 107 8.194 2.268 9.458 1.00 0.00 H new ATOM 1666 N TRP A 108 10.203 5.016 8.554 1.00 0.00 N ATOM 1667 CA TRP A 108 10.879 4.697 7.317 1.00 0.00 C ATOM 1668 C TRP A 108 11.953 3.652 7.580 1.00 0.00 C ATOM 1669 O TRP A 108 12.896 3.881 8.336 1.00 0.00 O ATOM 1670 CB TRP A 108 11.479 5.962 6.679 1.00 0.00 C ATOM 1671 CG TRP A 108 12.093 6.919 7.663 1.00 0.00 C ATOM 1672 CD1 TRP A 108 13.354 6.868 8.188 1.00 0.00 C ATOM 1673 CD2 TRP A 108 11.473 8.081 8.231 1.00 0.00 C ATOM 1674 NE1 TRP A 108 13.548 7.916 9.056 1.00 0.00 N ATOM 1675 CE2 TRP A 108 12.410 8.675 9.097 1.00 0.00 C ATOM 1676 CE3 TRP A 108 10.214 8.671 8.093 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 12.126 9.831 9.820 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 9.934 9.819 8.810 1.00 0.00 C ATOM 1679 CH2 TRP A 108 10.886 10.388 9.665 1.00 0.00 C ATOM 0 H TRP A 108 10.776 5.523 9.228 1.00 0.00 H new ATOM 0 HA TRP A 108 10.157 4.288 6.611 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.239 5.665 5.956 1.00 0.00 H new ATOM 0 HB3 TRP A 108 10.697 6.481 6.124 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.091 6.114 7.955 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.402 8.098 9.584 1.00 0.00 H new ATOM 0 HE3 TRP A 108 9.473 8.238 7.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 12.859 10.272 10.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 8.965 10.285 8.709 1.00 0.00 H new ATOM 0 HH2 TRP A 108 10.636 11.285 10.213 1.00 0.00 H new ATOM 1690 N CYS A 109 11.792 2.497 6.975 1.00 0.00 N ATOM 1691 CA CYS A 109 12.726 1.408 7.177 1.00 0.00 C ATOM 1692 C CYS A 109 12.935 0.654 5.873 1.00 0.00 C ATOM 1693 O CYS A 109 12.074 0.683 5.000 1.00 0.00 O ATOM 1694 CB CYS A 109 12.231 0.465 8.277 1.00 0.00 C ATOM 1695 SG CYS A 109 10.657 -0.340 7.915 1.00 0.00 S ATOM 0 H CYS A 109 11.024 2.286 6.339 1.00 0.00 H new ATOM 0 HA CYS A 109 13.682 1.822 7.497 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.986 -0.302 8.449 1.00 0.00 H new ATOM 0 HB3 CYS A 109 12.132 1.029 9.205 1.00 0.00 H new ATOM 0 HG CYS A 109 10.432 -1.269 8.796 1.00 0.00 H new ATOM 1701 N SER A 110 14.067 -0.021 5.746 1.00 0.00 N ATOM 1702 CA SER A 110 14.388 -0.763 4.530 1.00 0.00 C ATOM 1703 C SER A 110 13.334 -1.856 4.301 1.00 0.00 C ATOM 1704 O SER A 110 12.670 -2.273 5.251 1.00 0.00 O ATOM 1705 CB SER A 110 15.769 -1.406 4.673 1.00 0.00 C ATOM 1706 OG SER A 110 16.692 -0.505 5.254 1.00 0.00 O ATOM 0 H SER A 110 14.783 -0.072 6.471 1.00 0.00 H new ATOM 0 HA SER A 110 14.392 -0.081 3.680 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.694 -2.302 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.130 -1.721 3.694 1.00 0.00 H new ATOM 0 HG SER A 110 17.566 -0.940 5.336 1.00 0.00 H new ATOM 1712 N PRO A 111 13.153 -2.329 3.051 1.00 0.00 N ATOM 1713 CA PRO A 111 12.205 -3.406 2.737 1.00 0.00 C ATOM 1714 C PRO A 111 12.311 -4.590 3.702 1.00 0.00 C ATOM 1715 O PRO A 111 11.306 -5.076 4.215 1.00 0.00 O ATOM 1716 CB PRO A 111 12.589 -3.842 1.314 1.00 0.00 C ATOM 1717 CG PRO A 111 13.784 -3.029 0.927 1.00 0.00 C ATOM 1718 CD PRO A 111 13.825 -1.839 1.843 1.00 0.00 C ATOM 0 HA PRO A 111 11.175 -3.060 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.818 -4.907 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.765 -3.674 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.697 -3.618 1.020 1.00 0.00 H new ATOM 0 HG3 PRO A 111 13.713 -2.712 -0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.848 -1.524 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.308 -0.981 1.413 1.00 0.00 H new ATOM 1726 N GLU A 112 13.537 -5.025 3.967 1.00 0.00 N ATOM 1727 CA GLU A 112 13.781 -6.158 4.858 1.00 0.00 C ATOM 1728 C GLU A 112 13.339 -5.849 6.293 1.00 0.00 C ATOM 1729 O GLU A 112 12.891 -6.737 7.018 1.00 0.00 O ATOM 1730 CB GLU A 112 15.267 -6.539 4.817 1.00 0.00 C ATOM 1731 CG GLU A 112 16.207 -5.367 5.058 1.00 0.00 C ATOM 1732 CD GLU A 112 17.652 -5.699 4.742 1.00 0.00 C ATOM 1733 OE1 GLU A 112 18.031 -5.646 3.552 1.00 0.00 O ATOM 1734 OE2 GLU A 112 18.418 -6.004 5.676 1.00 0.00 O ATOM 0 H GLU A 112 14.383 -4.609 3.577 1.00 0.00 H new ATOM 0 HA GLU A 112 13.186 -7.003 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.457 -7.306 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.493 -6.981 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.891 -4.522 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 112 16.130 -5.054 6.099 1.00 0.00 H new ATOM 1741 N GLU A 113 13.467 -4.590 6.694 1.00 0.00 N ATOM 1742 CA GLU A 113 13.079 -4.161 8.034 1.00 0.00 C ATOM 1743 C GLU A 113 11.561 -4.124 8.186 1.00 0.00 C ATOM 1744 O GLU A 113 11.029 -4.448 9.246 1.00 0.00 O ATOM 1745 CB GLU A 113 13.652 -2.771 8.330 1.00 0.00 C ATOM 1746 CG GLU A 113 15.160 -2.676 8.180 1.00 0.00 C ATOM 1747 CD GLU A 113 15.902 -3.535 9.179 1.00 0.00 C ATOM 1748 OE1 GLU A 113 16.054 -3.106 10.341 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.352 -4.634 8.805 1.00 0.00 O ATOM 0 H GLU A 113 13.839 -3.843 6.107 1.00 0.00 H new ATOM 0 HA GLU A 113 13.482 -4.884 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.185 -2.048 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.380 -2.487 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.440 -2.976 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.468 -1.637 8.301 1.00 0.00 H new ATOM 1756 N ALA A 114 10.875 -3.739 7.115 1.00 0.00 N ATOM 1757 CA ALA A 114 9.420 -3.563 7.137 1.00 0.00 C ATOM 1758 C ALA A 114 8.690 -4.838 7.545 1.00 0.00 C ATOM 1759 O ALA A 114 7.710 -4.788 8.285 1.00 0.00 O ATOM 1760 CB ALA A 114 8.931 -3.091 5.776 1.00 0.00 C ATOM 0 H ALA A 114 11.304 -3.540 6.211 1.00 0.00 H new ATOM 0 HA ALA A 114 9.195 -2.807 7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.849 -2.963 5.802 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.403 -2.140 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.190 -3.831 5.019 1.00 0.00 H new ATOM 1766 N LEU A 115 9.177 -5.978 7.082 1.00 0.00 N ATOM 1767 CA LEU A 115 8.512 -7.250 7.330 1.00 0.00 C ATOM 1768 C LEU A 115 8.681 -7.692 8.786 1.00 0.00 C ATOM 1769 O LEU A 115 8.021 -8.626 9.236 1.00 0.00 O ATOM 1770 CB LEU A 115 9.053 -8.314 6.367 1.00 0.00 C ATOM 1771 CG LEU A 115 7.999 -9.092 5.562 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.365 -10.186 6.398 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.915 -8.161 5.045 1.00 0.00 C ATOM 0 H LEU A 115 10.032 -6.050 6.531 1.00 0.00 H new ATOM 0 HA LEU A 115 7.444 -7.123 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.732 -7.829 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.644 -9.028 6.941 1.00 0.00 H new ATOM 0 HG LEU A 115 8.513 -9.549 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.624 -10.718 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.134 -10.884 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.880 -9.744 7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.182 -8.735 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.423 -7.673 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.362 -7.406 4.398 1.00 0.00 H new ATOM 1785 N GLN A 116 9.560 -7.017 9.522 1.00 0.00 N ATOM 1786 CA GLN A 116 9.743 -7.293 10.944 1.00 0.00 C ATOM 1787 C GLN A 116 8.678 -6.583 11.774 1.00 0.00 C ATOM 1788 O GLN A 116 8.540 -6.833 12.972 1.00 0.00 O ATOM 1789 CB GLN A 116 11.126 -6.832 11.399 1.00 0.00 C ATOM 1790 CG GLN A 116 12.271 -7.491 10.656 1.00 0.00 C ATOM 1791 CD GLN A 116 13.613 -6.920 11.061 1.00 0.00 C ATOM 1792 OE1 GLN A 116 14.086 -5.951 10.475 1.00 0.00 O ATOM 1793 NE2 GLN A 116 14.233 -7.511 12.069 1.00 0.00 N ATOM 0 H GLN A 116 10.157 -6.275 9.157 1.00 0.00 H new ATOM 0 HA GLN A 116 9.651 -8.369 11.092 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.198 -5.752 11.272 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.233 -7.035 12.465 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.260 -8.563 10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.130 -7.360 9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.806 -8.314 12.530 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.138 -7.163 12.385 1.00 0.00 H new ATOM 1802 N TYR A 117 7.929 -5.701 11.133 1.00 0.00 N ATOM 1803 CA TYR A 117 6.886 -4.952 11.813 1.00 0.00 C ATOM 1804 C TYR A 117 5.555 -5.671 11.667 1.00 0.00 C ATOM 1805 O TYR A 117 5.399 -6.519 10.784 1.00 0.00 O ATOM 1806 CB TYR A 117 6.789 -3.531 11.251 1.00 0.00 C ATOM 1807 CG TYR A 117 7.905 -2.618 11.710 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.169 -2.714 11.155 1.00 0.00 C ATOM 1809 CD2 TYR A 117 7.688 -1.660 12.691 1.00 0.00 C ATOM 1810 CE1 TYR A 117 10.195 -1.883 11.564 1.00 0.00 C ATOM 1811 CE2 TYR A 117 8.707 -0.825 13.109 1.00 0.00 C ATOM 1812 CZ TYR A 117 9.959 -0.938 12.540 1.00 0.00 C ATOM 1813 OH TYR A 117 10.977 -0.107 12.953 1.00 0.00 O ATOM 0 H TYR A 117 8.024 -5.486 10.140 1.00 0.00 H new ATOM 0 HA TYR A 117 7.138 -4.883 12.871 1.00 0.00 H new ATOM 0 HB2 TYR A 117 6.796 -3.579 10.162 1.00 0.00 H new ATOM 0 HB3 TYR A 117 5.833 -3.098 11.545 1.00 0.00 H new ATOM 0 HD1 TYR A 117 9.357 -3.451 10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 117 6.708 -1.566 13.134 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.176 -1.973 11.122 1.00 0.00 H new ATOM 0 HE2 TYR A 117 8.524 -0.088 13.877 1.00 0.00 H new ATOM 0 HH TYR A 117 10.643 0.501 13.645 1.00 0.00 H new ATOM 1823 N PRO A 118 4.583 -5.365 12.535 1.00 0.00 N ATOM 1824 CA PRO A 118 3.257 -5.972 12.464 1.00 0.00 C ATOM 1825 C PRO A 118 2.461 -5.436 11.281 1.00 0.00 C ATOM 1826 O PRO A 118 1.534 -4.645 11.447 1.00 0.00 O ATOM 1827 CB PRO A 118 2.610 -5.569 13.788 1.00 0.00 C ATOM 1828 CG PRO A 118 3.272 -4.287 14.144 1.00 0.00 C ATOM 1829 CD PRO A 118 4.692 -4.409 13.655 1.00 0.00 C ATOM 0 HA PRO A 118 3.297 -7.052 12.319 1.00 0.00 H new ATOM 0 HB2 PRO A 118 1.532 -5.444 13.683 1.00 0.00 H new ATOM 0 HB3 PRO A 118 2.770 -6.326 14.556 1.00 0.00 H new ATOM 0 HG2 PRO A 118 2.768 -3.443 13.674 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.242 -4.117 15.220 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.089 -3.448 13.327 1.00 0.00 H new ATOM 0 HD3 PRO A 118 5.356 -4.778 14.436 1.00 0.00 H new ATOM 1837 N LEU A 119 2.858 -5.848 10.086 1.00 0.00 N ATOM 1838 CA LEU A 119 2.154 -5.478 8.871 1.00 0.00 C ATOM 1839 C LEU A 119 0.932 -6.366 8.718 1.00 0.00 C ATOM 1840 O LEU A 119 0.927 -7.500 9.212 1.00 0.00 O ATOM 1841 CB LEU A 119 3.069 -5.634 7.645 1.00 0.00 C ATOM 1842 CG LEU A 119 4.229 -4.635 7.534 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.063 -4.939 6.300 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.704 -3.207 7.481 1.00 0.00 C ATOM 0 H LEU A 119 3.672 -6.444 9.933 1.00 0.00 H new ATOM 0 HA LEU A 119 1.849 -4.434 8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.484 -6.642 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.457 -5.549 6.747 1.00 0.00 H new ATOM 0 HG LEU A 119 4.859 -4.735 8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.883 -4.225 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.466 -5.949 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.438 -4.862 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.542 -2.514 7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.054 -3.090 6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.140 -2.993 8.389 1.00 0.00 H new ATOM 1856 N ALA A 120 -0.105 -5.858 8.065 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.310 -6.643 7.847 1.00 0.00 C ATOM 1858 C ALA A 120 -1.002 -7.888 7.017 1.00 0.00 C ATOM 1859 O ALA A 120 -0.033 -7.909 6.253 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.370 -5.799 7.167 1.00 0.00 C ATOM 0 H ALA A 120 -0.135 -4.914 7.680 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.691 -6.967 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.267 -6.398 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.612 -4.942 7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.995 -5.448 6.206 1.00 0.00 H new ATOM 1866 N PRO A 121 -1.825 -8.947 7.148 1.00 0.00 N ATOM 1867 CA PRO A 121 -1.635 -10.209 6.412 1.00 0.00 C ATOM 1868 C PRO A 121 -1.715 -10.031 4.896 1.00 0.00 C ATOM 1869 O PRO A 121 -1.502 -10.972 4.137 1.00 0.00 O ATOM 1870 CB PRO A 121 -2.787 -11.092 6.904 1.00 0.00 C ATOM 1871 CG PRO A 121 -3.788 -10.145 7.470 1.00 0.00 C ATOM 1872 CD PRO A 121 -2.995 -9.009 8.040 1.00 0.00 C ATOM 0 HA PRO A 121 -0.646 -10.630 6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.213 -11.675 6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -2.446 -11.802 7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.475 -9.795 6.700 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.391 -10.627 8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.560 -8.077 8.031 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.706 -9.197 9.074 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.032 -8.822 4.459 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.068 -8.511 3.042 1.00 0.00 C ATOM 1882 C ALA A 122 -0.788 -7.810 2.620 1.00 0.00 C ATOM 1883 O ALA A 122 -0.320 -7.979 1.498 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.270 -7.650 2.718 1.00 0.00 C ATOM 0 H ALA A 122 -2.268 -8.039 5.069 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.152 -9.445 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.281 -7.427 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.182 -8.183 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.214 -6.719 3.283 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.221 -7.054 3.544 1.00 0.00 N ATOM 1891 CA ASP A 123 0.955 -6.241 3.273 1.00 0.00 C ATOM 1892 C ASP A 123 2.210 -7.090 3.299 1.00 0.00 C ATOM 1893 O ASP A 123 3.214 -6.758 2.666 1.00 0.00 O ATOM 1894 CB ASP A 123 1.073 -5.125 4.306 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.109 -4.179 4.270 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.245 -4.647 4.501 1.00 0.00 O ATOM 1897 OD2 ASP A 123 0.100 -2.978 4.003 1.00 0.00 O ATOM 0 H ASP A 123 -0.561 -6.985 4.503 1.00 0.00 H new ATOM 0 HA ASP A 123 0.845 -5.804 2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.155 -5.562 5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.990 -4.564 4.127 1.00 0.00 H new ATOM 1902 N ILE A 124 2.145 -8.197 4.026 1.00 0.00 N ATOM 1903 CA ILE A 124 3.269 -9.116 4.115 1.00 0.00 C ATOM 1904 C ILE A 124 3.598 -9.685 2.729 1.00 0.00 C ATOM 1905 O ILE A 124 4.709 -9.493 2.239 1.00 0.00 O ATOM 1906 CB ILE A 124 2.997 -10.258 5.124 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.797 -9.680 6.529 1.00 0.00 C ATOM 1908 CG2 ILE A 124 4.138 -11.268 5.117 1.00 0.00 C ATOM 1909 CD1 ILE A 124 2.416 -10.712 7.572 1.00 0.00 C ATOM 0 H ILE A 124 1.325 -8.480 4.563 1.00 0.00 H new ATOM 0 HA ILE A 124 4.130 -8.557 4.482 1.00 0.00 H new ATOM 0 HB ILE A 124 2.086 -10.777 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.717 -9.185 6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.021 -8.915 6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.926 -12.062 5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 124 4.238 -11.697 4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 124 5.067 -10.769 5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.293 -10.224 8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.480 -11.191 7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.201 -11.465 7.643 1.00 0.00 H new ATOM 1921 N PRO A 125 2.634 -10.365 2.058 1.00 0.00 N ATOM 1922 CA PRO A 125 2.832 -10.879 0.695 1.00 0.00 C ATOM 1923 C PRO A 125 3.199 -9.782 -0.307 1.00 0.00 C ATOM 1924 O PRO A 125 3.858 -10.049 -1.313 1.00 0.00 O ATOM 1925 CB PRO A 125 1.478 -11.505 0.324 1.00 0.00 C ATOM 1926 CG PRO A 125 0.513 -10.994 1.334 1.00 0.00 C ATOM 1927 CD PRO A 125 1.302 -10.717 2.575 1.00 0.00 C ATOM 0 HA PRO A 125 3.662 -11.585 0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 125 1.178 -11.221 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.530 -12.594 0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 125 0.021 -10.089 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.270 -11.727 1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.867 -9.903 3.155 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.342 -11.588 3.229 1.00 0.00 H new ATOM 1935 N LEU A 126 2.783 -8.549 -0.028 1.00 0.00 N ATOM 1936 CA LEU A 126 3.093 -7.428 -0.905 1.00 0.00 C ATOM 1937 C LEU A 126 4.559 -7.043 -0.757 1.00 0.00 C ATOM 1938 O LEU A 126 5.267 -6.845 -1.744 1.00 0.00 O ATOM 1939 CB LEU A 126 2.204 -6.220 -0.585 1.00 0.00 C ATOM 1940 CG LEU A 126 0.708 -6.427 -0.822 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.073 -5.189 -0.412 1.00 0.00 C ATOM 1942 CD2 LEU A 126 0.445 -6.764 -2.281 1.00 0.00 C ATOM 0 H LEU A 126 2.233 -8.304 0.795 1.00 0.00 H new ATOM 0 HA LEU A 126 2.900 -7.735 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.355 -5.946 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.537 -5.375 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 126 0.373 -7.263 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.136 -5.355 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.093 -4.988 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.263 -4.335 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.624 -6.909 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.795 -5.947 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.976 -7.679 -2.545 1.00 0.00 H new ATOM 1954 N LEU A 127 5.011 -6.960 0.486 1.00 0.00 N ATOM 1955 CA LEU A 127 6.392 -6.614 0.772 1.00 0.00 C ATOM 1956 C LEU A 127 7.308 -7.757 0.348 1.00 0.00 C ATOM 1957 O LEU A 127 8.400 -7.521 -0.177 1.00 0.00 O ATOM 1958 CB LEU A 127 6.563 -6.292 2.263 1.00 0.00 C ATOM 1959 CG LEU A 127 7.884 -5.618 2.666 1.00 0.00 C ATOM 1960 CD1 LEU A 127 9.040 -6.610 2.692 1.00 0.00 C ATOM 1961 CD2 LEU A 127 8.196 -4.472 1.723 1.00 0.00 C ATOM 0 H LEU A 127 4.438 -7.128 1.313 1.00 0.00 H new ATOM 0 HA LEU A 127 6.665 -5.724 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.741 -5.645 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.466 -7.220 2.827 1.00 0.00 H new ATOM 0 HG LEU A 127 7.762 -5.229 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.956 -6.094 2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.825 -7.400 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 127 9.167 -7.047 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.134 -4.002 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.286 -4.852 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.393 -3.736 1.766 1.00 0.00 H new ATOM 1973 N GLU A 128 6.852 -8.992 0.565 1.00 0.00 N ATOM 1974 CA GLU A 128 7.579 -10.176 0.115 1.00 0.00 C ATOM 1975 C GLU A 128 7.975 -10.046 -1.349 1.00 0.00 C ATOM 1976 O GLU A 128 9.121 -10.306 -1.714 1.00 0.00 O ATOM 1977 CB GLU A 128 6.718 -11.429 0.295 1.00 0.00 C ATOM 1978 CG GLU A 128 6.575 -11.890 1.737 1.00 0.00 C ATOM 1979 CD GLU A 128 7.864 -12.451 2.296 1.00 0.00 C ATOM 1980 OE1 GLU A 128 8.503 -13.275 1.609 1.00 0.00 O ATOM 1981 OE2 GLU A 128 8.245 -12.079 3.422 1.00 0.00 O ATOM 0 H GLU A 128 5.979 -9.197 1.052 1.00 0.00 H new ATOM 0 HA GLU A 128 8.482 -10.264 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.726 -11.235 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 128 7.150 -12.240 -0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.250 -11.051 2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.796 -12.650 1.797 1.00 0.00 H new ATOM 1988 N ALA A 129 7.034 -9.615 -2.183 1.00 0.00 N ATOM 1989 CA ALA A 129 7.297 -9.489 -3.608 1.00 0.00 C ATOM 1990 C ALA A 129 7.961 -8.165 -3.940 1.00 0.00 C ATOM 1991 O ALA A 129 8.496 -7.996 -5.030 1.00 0.00 O ATOM 1992 CB ALA A 129 6.030 -9.642 -4.424 1.00 0.00 C ATOM 0 H ALA A 129 6.091 -9.350 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 129 7.981 -10.296 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.265 -9.542 -5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.595 -10.624 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.317 -8.870 -4.136 1.00 0.00 H new ATOM 1998 N PHE A 130 7.944 -7.223 -3.010 1.00 0.00 N ATOM 1999 CA PHE A 130 8.595 -5.947 -3.241 1.00 0.00 C ATOM 2000 C PHE A 130 10.092 -6.127 -3.090 1.00 0.00 C ATOM 2001 O PHE A 130 10.879 -5.682 -3.926 1.00 0.00 O ATOM 2002 CB PHE A 130 8.095 -4.883 -2.263 1.00 0.00 C ATOM 2003 CG PHE A 130 8.665 -3.518 -2.530 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.086 -2.690 -3.477 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.779 -3.066 -1.841 1.00 0.00 C ATOM 2006 CE1 PHE A 130 8.607 -1.439 -3.735 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.305 -1.816 -2.098 1.00 0.00 C ATOM 2008 CZ PHE A 130 9.716 -1.001 -3.043 1.00 0.00 C ATOM 0 H PHE A 130 7.492 -7.317 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 130 8.357 -5.608 -4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 130 7.007 -4.832 -2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.351 -5.184 -1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.216 -3.028 -4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 130 10.240 -3.698 -1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.147 -0.804 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.177 -1.476 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.124 -0.021 -3.240 1.00 0.00 H new ATOM 2018 N MET A 131 10.477 -6.801 -2.015 1.00 0.00 N ATOM 2019 CA MET A 131 11.871 -7.133 -1.794 1.00 0.00 C ATOM 2020 C MET A 131 12.311 -8.191 -2.802 1.00 0.00 C ATOM 2021 O MET A 131 13.479 -8.237 -3.184 1.00 0.00 O ATOM 2022 CB MET A 131 12.103 -7.598 -0.346 1.00 0.00 C ATOM 2023 CG MET A 131 11.464 -8.934 -0.002 1.00 0.00 C ATOM 2024 SD MET A 131 11.701 -9.398 1.724 1.00 0.00 S ATOM 2025 CE MET A 131 13.487 -9.501 1.812 1.00 0.00 C ATOM 0 H MET A 131 9.842 -7.126 -1.286 1.00 0.00 H new ATOM 0 HA MET A 131 12.479 -6.241 -1.943 1.00 0.00 H new ATOM 0 HB2 MET A 131 13.176 -7.666 -0.167 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.715 -6.839 0.333 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.397 -8.887 -0.218 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.885 -9.709 -0.643 1.00 0.00 H new ATOM 0 HE1 MET A 131 13.775 -10.089 2.683 1.00 0.00 H new ATOM 0 HE2 MET A 131 13.869 -9.979 0.910 1.00 0.00 H new ATOM 0 HE3 MET A 131 13.906 -8.498 1.897 1.00 0.00 H new ATOM 2035 N ALA A 132 11.370 -9.033 -3.243 1.00 0.00 N ATOM 2036 CA ALA A 132 11.623 -9.959 -4.340 1.00 0.00 C ATOM 2037 C ALA A 132 11.893 -9.205 -5.633 1.00 0.00 C ATOM 2038 O ALA A 132 12.786 -9.568 -6.396 1.00 0.00 O ATOM 2039 CB ALA A 132 10.437 -10.901 -4.522 1.00 0.00 C ATOM 0 H ALA A 132 10.429 -9.088 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 132 12.507 -10.546 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.640 -11.587 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 132 10.280 -11.470 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.542 -10.320 -4.746 1.00 0.00 H new ATOM 2045 N LEU A 133 11.139 -8.135 -5.857 1.00 0.00 N ATOM 2046 CA LEU A 133 11.257 -7.352 -7.078 1.00 0.00 C ATOM 2047 C LEU A 133 12.598 -6.639 -7.127 1.00 0.00 C ATOM 2048 O LEU A 133 13.221 -6.543 -8.181 1.00 0.00 O ATOM 2049 CB LEU A 133 10.126 -6.328 -7.170 1.00 0.00 C ATOM 2050 CG LEU A 133 9.224 -6.467 -8.396 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.471 -7.789 -8.363 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.255 -5.300 -8.479 1.00 0.00 C ATOM 0 H LEU A 133 10.436 -7.790 -5.204 1.00 0.00 H new ATOM 0 HA LEU A 133 11.187 -8.034 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.510 -6.408 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.561 -5.328 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 133 9.852 -6.456 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.835 -7.868 -9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.184 -8.614 -8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 133 7.854 -7.834 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.621 -5.416 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.634 -5.278 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.814 -4.367 -8.555 1.00 0.00 H new ATOM 2064 N ARG A 134 13.031 -6.139 -5.980 1.00 0.00 N ATOM 2065 CA ARG A 134 14.318 -5.466 -5.870 1.00 0.00 C ATOM 2066 C ARG A 134 15.475 -6.452 -6.001 1.00 0.00 C ATOM 2067 O ARG A 134 16.582 -6.073 -6.378 1.00 0.00 O ATOM 2068 CB ARG A 134 14.409 -4.736 -4.531 1.00 0.00 C ATOM 2069 CG ARG A 134 13.596 -3.454 -4.479 1.00 0.00 C ATOM 2070 CD ARG A 134 13.549 -2.875 -3.072 1.00 0.00 C ATOM 2071 NE ARG A 134 14.864 -2.873 -2.425 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.481 -1.782 -1.971 1.00 0.00 C ATOM 2073 NH1 ARG A 134 14.939 -0.582 -2.130 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.651 -1.900 -1.353 1.00 0.00 N ATOM 0 H ARG A 134 12.507 -6.187 -5.106 1.00 0.00 H new ATOM 0 HA ARG A 134 14.393 -4.747 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.069 -5.404 -3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.453 -4.502 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.028 -2.721 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.582 -3.652 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 134 13.166 -1.855 -3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 134 12.850 -3.453 -2.467 1.00 0.00 H new ATOM 0 HE ARG A 134 15.340 -3.768 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 134 14.041 -0.487 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 134 15.420 0.246 -1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.071 -2.821 -1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 134 17.129 -1.070 -1.003 1.00 0.00 H new ATOM 2088 N ALA A 135 15.213 -7.715 -5.692 1.00 0.00 N ATOM 2089 CA ALA A 135 16.254 -8.733 -5.726 1.00 0.00 C ATOM 2090 C ALA A 135 16.350 -9.400 -7.097 1.00 0.00 C ATOM 2091 O ALA A 135 17.438 -9.763 -7.541 1.00 0.00 O ATOM 2092 CB ALA A 135 16.001 -9.777 -4.648 1.00 0.00 C ATOM 0 H ALA A 135 14.293 -8.058 -5.416 1.00 0.00 H new ATOM 0 HA ALA A 135 17.207 -8.240 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.785 -10.533 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 135 16.002 -9.297 -3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 135 15.034 -10.249 -4.819 1.00 0.00 H new ATOM 2098 N ALA A 136 15.212 -9.573 -7.757 1.00 0.00 N ATOM 2099 CA ALA A 136 15.181 -10.244 -9.054 1.00 0.00 C ATOM 2100 C ALA A 136 15.213 -9.247 -10.209 1.00 0.00 C ATOM 2101 O ALA A 136 15.886 -9.475 -11.215 1.00 0.00 O ATOM 2102 CB ALA A 136 13.945 -11.125 -9.159 1.00 0.00 C ATOM 0 H ALA A 136 14.302 -9.260 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 136 16.075 -10.863 -9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 136 13.933 -11.620 -10.130 1.00 0.00 H new ATOM 0 HB2 ALA A 136 13.965 -11.876 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.051 -10.511 -9.053 1.00 0.00 H new