USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 630 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= -0.237 (180deg=-3.33!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.765 X(o=-0.77,f=-0.8) USER MOD Single : A 23 THR OG1 : rot -140:sc= -0.88 USER MOD Single : A 38 HIS : no HD1:sc= -0.638 X(o=-0.64,f=-0.14) USER MOD Single : A 41 MET CE :methyl 141:sc= -0.106 (180deg=-2.42!) USER MOD Single : A 44 GLN : amide:sc= -0.0176 K(o=-0.018,f=-1.4) USER MOD Single : A 45 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.7) USER MOD Single : A 49 HIS : no HD1:sc= -2.1! K(o=-2.1!,f=-0.88) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -6.08! C(o=-6.1!,f=-8.6!) USER MOD Single : A 60 GLN : amide:sc= -1.07 K(o=-1.1,f=0.28) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.101 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.151 -8.773 -9.954 1.00 0.00 N ATOM 60 CA GLY A 7 -0.867 -7.810 -9.138 1.00 0.00 C ATOM 61 C GLY A 7 -0.747 -6.396 -9.671 1.00 0.00 C ATOM 62 O GLY A 7 -0.448 -6.192 -10.848 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.920 -8.089 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.482 -7.845 -8.119 1.00 0.00 H new ATOM 66 N ARG A 8 -0.983 -5.417 -8.804 1.00 0.00 N ATOM 67 CA ARG A 8 -0.902 -4.015 -9.194 1.00 0.00 C ATOM 68 C ARG A 8 0.521 -3.487 -9.036 1.00 0.00 C ATOM 69 O ARG A 8 0.746 -2.465 -8.389 1.00 0.00 O ATOM 70 CB ARG A 8 -1.865 -3.173 -8.355 1.00 0.00 C ATOM 71 CG ARG A 8 -2.149 -1.801 -8.946 1.00 0.00 C ATOM 72 CD ARG A 8 -3.079 -0.993 -8.055 1.00 0.00 C ATOM 73 NE ARG A 8 -4.485 -1.268 -8.339 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.071 -0.980 -9.496 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.375 -0.412 -10.472 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.354 -1.261 -9.679 1.00 0.00 N ATOM 0 H ARG A 8 -1.232 -5.569 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.185 -3.940 -10.244 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.805 -3.713 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.449 -3.049 -7.355 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.212 -1.261 -9.081 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.597 -1.914 -9.933 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.869 -1.221 -7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.882 0.070 -8.195 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.048 -1.705 -7.609 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.388 -0.195 -10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.827 -0.192 -11.359 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.892 -1.699 -8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.803 -1.039 -10.568 1.00 0.00 H new ATOM 90 N MET A 9 1.477 -4.192 -9.632 1.00 0.00 N ATOM 91 CA MET A 9 2.878 -3.794 -9.558 1.00 0.00 C ATOM 92 C MET A 9 3.036 -2.303 -9.839 1.00 0.00 C ATOM 93 O MET A 9 3.115 -1.884 -10.994 1.00 0.00 O ATOM 94 CB MET A 9 3.714 -4.603 -10.552 1.00 0.00 C ATOM 95 CG MET A 9 5.140 -4.850 -10.088 1.00 0.00 C ATOM 96 SD MET A 9 6.143 -5.679 -11.336 1.00 0.00 S ATOM 97 CE MET A 9 6.074 -7.372 -10.755 1.00 0.00 C ATOM 0 H MET A 9 1.307 -5.041 -10.171 1.00 0.00 H new ATOM 0 HA MET A 9 3.233 -3.995 -8.547 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.227 -5.562 -10.728 1.00 0.00 H new ATOM 0 HB3 MET A 9 3.737 -4.078 -11.507 1.00 0.00 H new ATOM 0 HG2 MET A 9 5.603 -3.898 -9.829 1.00 0.00 H new ATOM 0 HG3 MET A 9 5.123 -5.454 -9.181 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.650 -8.010 -11.425 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.493 -7.429 -9.750 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.037 -7.708 -10.735 1.00 0.00 H new ATOM 107 N VAL A 10 3.080 -1.506 -8.776 1.00 0.00 N ATOM 108 CA VAL A 10 3.229 -0.062 -8.909 1.00 0.00 C ATOM 109 C VAL A 10 4.667 0.369 -8.646 1.00 0.00 C ATOM 110 O VAL A 10 5.282 -0.047 -7.665 1.00 0.00 O ATOM 111 CB VAL A 10 2.295 0.689 -7.941 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.522 2.190 -8.038 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.842 0.342 -8.227 1.00 0.00 C ATOM 0 H VAL A 10 3.015 -1.836 -7.813 1.00 0.00 H new ATOM 0 HA VAL A 10 2.959 0.191 -9.934 1.00 0.00 H new ATOM 0 HB VAL A 10 2.526 0.375 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.854 2.704 -7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.556 2.419 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.319 2.524 -9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.196 0.881 -7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.595 0.626 -9.250 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.693 -0.731 -8.102 1.00 0.00 H new ATOM 123 N GLY A 11 5.200 1.206 -9.531 1.00 0.00 N ATOM 124 CA GLY A 11 6.563 1.680 -9.378 1.00 0.00 C ATOM 125 C GLY A 11 6.627 3.103 -8.860 1.00 0.00 C ATOM 126 O GLY A 11 6.203 4.038 -9.541 1.00 0.00 O ATOM 0 H GLY A 11 4.712 1.564 -10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.098 1.023 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.074 1.623 -10.339 1.00 0.00 H new ATOM 130 N ILE A 12 7.156 3.269 -7.653 1.00 0.00 N ATOM 131 CA ILE A 12 7.273 4.588 -7.045 1.00 0.00 C ATOM 132 C ILE A 12 8.713 5.088 -7.087 1.00 0.00 C ATOM 133 O ILE A 12 9.653 4.319 -6.886 1.00 0.00 O ATOM 134 CB ILE A 12 6.787 4.580 -5.583 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.312 4.178 -5.516 1.00 0.00 C ATOM 136 CG2 ILE A 12 6.999 5.946 -4.947 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.097 2.685 -5.407 1.00 0.00 C ATOM 0 H ILE A 12 7.511 2.506 -7.076 1.00 0.00 H new ATOM 0 HA ILE A 12 6.641 5.259 -7.626 1.00 0.00 H new ATOM 0 HB ILE A 12 7.370 3.847 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.849 4.667 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.803 4.546 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.651 5.925 -3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.060 6.196 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.439 6.697 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.029 2.473 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.530 2.191 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.577 2.313 -4.502 1.00 0.00 H new ATOM 149 N ARG A 13 8.878 6.380 -7.348 1.00 0.00 N ATOM 150 CA ARG A 13 10.204 6.983 -7.416 1.00 0.00 C ATOM 151 C ARG A 13 10.449 7.894 -6.217 1.00 0.00 C ATOM 152 O ARG A 13 10.124 9.081 -6.248 1.00 0.00 O ATOM 153 CB ARG A 13 10.360 7.777 -8.714 1.00 0.00 C ATOM 154 CG ARG A 13 11.679 8.526 -8.814 1.00 0.00 C ATOM 155 CD ARG A 13 11.777 9.310 -10.113 1.00 0.00 C ATOM 156 NE ARG A 13 10.820 10.413 -10.161 1.00 0.00 N ATOM 157 CZ ARG A 13 10.661 11.202 -11.217 1.00 0.00 C ATOM 158 NH1 ARG A 13 11.391 11.013 -12.307 1.00 0.00 N ATOM 159 NH2 ARG A 13 9.769 12.184 -11.184 1.00 0.00 N ATOM 0 H ARG A 13 8.110 7.030 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 13 10.942 6.181 -7.398 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.274 7.095 -9.560 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.540 8.490 -8.795 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.777 9.207 -7.968 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.506 7.819 -8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.788 9.702 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.601 8.640 -10.955 1.00 0.00 H new ATOM 0 HE ARG A 13 10.242 10.586 -9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.078 10.259 -12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.266 11.621 -13.116 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.205 12.333 -10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.647 12.790 -11.995 1.00 0.00 H new ATOM 173 N LYS A 14 11.024 7.330 -5.160 1.00 0.00 N ATOM 174 CA LYS A 14 11.314 8.090 -3.950 1.00 0.00 C ATOM 175 C LYS A 14 12.819 8.215 -3.733 1.00 0.00 C ATOM 176 O LYS A 14 13.615 7.764 -4.557 1.00 0.00 O ATOM 177 CB LYS A 14 10.668 7.420 -2.735 1.00 0.00 C ATOM 178 CG LYS A 14 11.381 6.156 -2.286 1.00 0.00 C ATOM 179 CD LYS A 14 11.259 5.950 -0.785 1.00 0.00 C ATOM 180 CE LYS A 14 9.806 5.971 -0.336 1.00 0.00 C ATOM 181 NZ LYS A 14 9.212 4.606 -0.314 1.00 0.00 N ATOM 0 H LYS A 14 11.298 6.349 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 14 10.897 9.090 -4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.648 8.129 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.632 7.178 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.961 5.296 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.434 6.214 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.712 4.998 -0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.813 6.730 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.740 6.412 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.228 6.608 -1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.389 4.575 -0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.921 3.914 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.911 4.374 0.654 1.00 0.00 H new ATOM 195 N THR A 15 13.203 8.830 -2.619 1.00 0.00 N ATOM 196 CA THR A 15 14.612 9.014 -2.295 1.00 0.00 C ATOM 197 C THR A 15 14.952 8.390 -0.946 1.00 0.00 C ATOM 198 O THR A 15 14.175 8.481 0.004 1.00 0.00 O ATOM 199 CB THR A 15 14.991 10.507 -2.266 1.00 0.00 C ATOM 200 OG1 THR A 15 14.600 11.135 -3.492 1.00 0.00 O ATOM 201 CG2 THR A 15 16.487 10.681 -2.056 1.00 0.00 C ATOM 0 H THR A 15 12.558 9.209 -1.926 1.00 0.00 H new ATOM 0 HA THR A 15 15.184 8.516 -3.078 1.00 0.00 H new ATOM 0 HB THR A 15 14.466 10.977 -1.434 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.843 12.084 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.731 11.743 -2.039 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.777 10.227 -1.108 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.027 10.198 -2.870 1.00 0.00 H new ATOM 209 N ALA A 16 16.117 7.756 -0.870 1.00 0.00 N ATOM 210 CA ALA A 16 16.561 7.118 0.363 1.00 0.00 C ATOM 211 C ALA A 16 16.182 7.954 1.580 1.00 0.00 C ATOM 212 O ALA A 16 16.710 9.046 1.785 1.00 0.00 O ATOM 213 CB ALA A 16 18.064 6.887 0.326 1.00 0.00 C ATOM 0 H ALA A 16 16.771 7.670 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 16 16.059 6.154 0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 16 18.382 6.410 1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.312 6.243 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.576 7.843 0.216 1.00 0.00 H new ATOM 219 N GLY A 17 15.261 7.434 2.387 1.00 0.00 N ATOM 220 CA GLY A 17 14.826 8.147 3.573 1.00 0.00 C ATOM 221 C GLY A 17 13.317 8.258 3.663 1.00 0.00 C ATOM 222 O GLY A 17 12.694 7.643 4.527 1.00 0.00 O ATOM 0 H GLY A 17 14.809 6.532 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 17 15.203 7.636 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.261 9.146 3.572 1.00 0.00 H new ATOM 226 N GLU A 18 12.729 9.047 2.768 1.00 0.00 N ATOM 227 CA GLU A 18 11.284 9.238 2.753 1.00 0.00 C ATOM 228 C GLU A 18 10.557 7.900 2.861 1.00 0.00 C ATOM 229 O GLU A 18 11.071 6.866 2.434 1.00 0.00 O ATOM 230 CB GLU A 18 10.856 9.961 1.474 1.00 0.00 C ATOM 231 CG GLU A 18 11.503 11.325 1.301 1.00 0.00 C ATOM 232 CD GLU A 18 10.700 12.437 1.948 1.00 0.00 C ATOM 233 OE1 GLU A 18 10.737 12.548 3.192 1.00 0.00 O ATOM 234 OE2 GLU A 18 10.036 13.196 1.212 1.00 0.00 O ATOM 0 H GLU A 18 13.231 9.563 2.045 1.00 0.00 H new ATOM 0 HA GLU A 18 11.015 9.849 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.104 9.339 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.773 10.080 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.504 11.306 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.618 11.536 0.238 1.00 0.00 H new ATOM 241 N HIS A 19 9.358 7.930 3.435 1.00 0.00 N ATOM 242 CA HIS A 19 8.560 6.720 3.599 1.00 0.00 C ATOM 243 C HIS A 19 7.142 6.930 3.077 1.00 0.00 C ATOM 244 O HIS A 19 6.742 8.054 2.769 1.00 0.00 O ATOM 245 CB HIS A 19 8.518 6.308 5.071 1.00 0.00 C ATOM 246 CG HIS A 19 8.561 7.466 6.019 1.00 0.00 C ATOM 247 ND1 HIS A 19 9.335 7.476 7.161 1.00 0.00 N ATOM 248 CD2 HIS A 19 7.923 8.659 5.989 1.00 0.00 C ATOM 249 CE1 HIS A 19 9.169 8.624 7.793 1.00 0.00 C ATOM 250 NE2 HIS A 19 8.317 9.360 7.102 1.00 0.00 N ATOM 0 H HIS A 19 8.918 8.778 3.794 1.00 0.00 H new ATOM 0 HA HIS A 19 9.028 5.924 3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.610 5.734 5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.360 5.648 5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 19 7.232 8.997 5.231 1.00 0.00 H new ATOM 0 HE1 HIS A 19 9.648 8.912 8.717 1.00 0.00 H new ATOM 0 HE2 HIS A 19 8.003 10.297 7.354 1.00 0.00 H new ATOM 259 N LEU A 20 6.386 5.842 2.979 1.00 0.00 N ATOM 260 CA LEU A 20 5.012 5.906 2.493 1.00 0.00 C ATOM 261 C LEU A 20 4.116 6.639 3.487 1.00 0.00 C ATOM 262 O LEU A 20 3.500 7.651 3.156 1.00 0.00 O ATOM 263 CB LEU A 20 4.471 4.497 2.244 1.00 0.00 C ATOM 264 CG LEU A 20 4.804 3.881 0.885 1.00 0.00 C ATOM 265 CD1 LEU A 20 3.982 4.535 -0.214 1.00 0.00 C ATOM 266 CD2 LEU A 20 6.291 4.012 0.590 1.00 0.00 C ATOM 0 H LEU A 20 6.701 4.905 3.230 1.00 0.00 H new ATOM 0 HA LEU A 20 5.011 6.460 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.856 3.839 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.387 4.521 2.354 1.00 0.00 H new ATOM 0 HG LEU A 20 4.552 2.821 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.233 4.083 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.921 4.389 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.202 5.602 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.510 3.568 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.568 5.066 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.862 3.496 1.362 1.00 0.00 H new ATOM 278 N GLY A 21 4.050 6.120 4.710 1.00 0.00 N ATOM 279 CA GLY A 21 3.230 6.739 5.735 1.00 0.00 C ATOM 280 C GLY A 21 1.884 6.059 5.888 1.00 0.00 C ATOM 281 O GLY A 21 0.846 6.720 5.924 1.00 0.00 O ATOM 0 H GLY A 21 4.550 5.282 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.759 6.709 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.077 7.790 5.489 1.00 0.00 H new ATOM 285 N VAL A 22 1.899 4.733 5.978 1.00 0.00 N ATOM 286 CA VAL A 22 0.670 3.962 6.127 1.00 0.00 C ATOM 287 C VAL A 22 0.813 2.905 7.217 1.00 0.00 C ATOM 288 O VAL A 22 1.924 2.512 7.575 1.00 0.00 O ATOM 289 CB VAL A 22 0.276 3.273 4.807 1.00 0.00 C ATOM 290 CG1 VAL A 22 0.058 4.304 3.711 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.336 2.262 4.397 1.00 0.00 C ATOM 0 H VAL A 22 2.749 4.170 5.950 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.113 4.666 6.408 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.662 2.739 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.220 3.799 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.740 4.985 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.977 4.868 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.041 1.785 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.290 2.771 4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.437 1.505 5.175 1.00 0.00 H new ATOM 301 N THR A 23 -0.319 2.447 7.742 1.00 0.00 N ATOM 302 CA THR A 23 -0.321 1.436 8.791 1.00 0.00 C ATOM 303 C THR A 23 -1.021 0.164 8.328 1.00 0.00 C ATOM 304 O THR A 23 -2.197 0.188 7.963 1.00 0.00 O ATOM 305 CB THR A 23 -1.011 1.952 10.068 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.200 2.674 9.724 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.077 2.853 10.862 1.00 0.00 C ATOM 0 H THR A 23 -1.247 2.761 7.457 1.00 0.00 H new ATOM 0 HA THR A 23 0.722 1.212 9.015 1.00 0.00 H new ATOM 0 HB THR A 23 -1.273 1.093 10.686 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.282 3.463 10.299 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.586 3.205 11.759 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.814 2.293 11.147 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.212 3.707 10.250 1.00 0.00 H new ATOM 315 N PHE A 24 -0.291 -0.947 8.344 1.00 0.00 N ATOM 316 CA PHE A 24 -0.843 -2.230 7.925 1.00 0.00 C ATOM 317 C PHE A 24 -1.256 -3.065 9.133 1.00 0.00 C ATOM 318 O PHE A 24 -0.802 -2.825 10.252 1.00 0.00 O ATOM 319 CB PHE A 24 0.179 -2.999 7.085 1.00 0.00 C ATOM 320 CG PHE A 24 0.693 -2.221 5.907 1.00 0.00 C ATOM 321 CD1 PHE A 24 1.787 -1.382 6.038 1.00 0.00 C ATOM 322 CD2 PHE A 24 0.081 -2.329 4.669 1.00 0.00 C ATOM 323 CE1 PHE A 24 2.263 -0.665 4.956 1.00 0.00 C ATOM 324 CE2 PHE A 24 0.552 -1.615 3.583 1.00 0.00 C ATOM 325 CZ PHE A 24 1.644 -0.781 3.727 1.00 0.00 C ATOM 0 H PHE A 24 0.684 -0.984 8.642 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.728 -2.036 7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.020 -3.281 7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.276 -3.923 6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.274 -1.287 6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.774 -2.978 4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.118 -0.015 5.072 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.067 -1.709 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.013 -0.221 2.880 1.00 0.00 H new ATOM 335 N ARG A 25 -2.120 -4.047 8.899 1.00 0.00 N ATOM 336 CA ARG A 25 -2.596 -4.918 9.967 1.00 0.00 C ATOM 337 C ARG A 25 -2.440 -6.386 9.583 1.00 0.00 C ATOM 338 O ARG A 25 -2.453 -6.735 8.403 1.00 0.00 O ATOM 339 CB ARG A 25 -4.062 -4.616 10.285 1.00 0.00 C ATOM 340 CG ARG A 25 -5.033 -5.148 9.243 1.00 0.00 C ATOM 341 CD ARG A 25 -6.280 -4.282 9.150 1.00 0.00 C ATOM 342 NE ARG A 25 -7.190 -4.512 10.268 1.00 0.00 N ATOM 343 CZ ARG A 25 -7.970 -5.582 10.373 1.00 0.00 C ATOM 344 NH1 ARG A 25 -7.949 -6.516 9.432 1.00 0.00 N ATOM 345 NH2 ARG A 25 -8.772 -5.720 11.421 1.00 0.00 N ATOM 0 H ARG A 25 -2.505 -4.260 7.979 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.992 -4.727 10.854 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.311 -5.047 11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.191 -3.537 10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.541 -5.185 8.271 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.316 -6.170 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.991 -3.231 9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.797 -4.490 8.213 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.229 -3.813 11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.333 -6.414 8.625 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.549 -7.337 9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.790 -5.004 12.147 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.370 -6.542 11.500 1.00 0.00 H new ATOM 359 N VAL A 26 -2.291 -7.243 10.589 1.00 0.00 N ATOM 360 CA VAL A 26 -2.132 -8.673 10.357 1.00 0.00 C ATOM 361 C VAL A 26 -3.450 -9.412 10.558 1.00 0.00 C ATOM 362 O VAL A 26 -3.928 -9.553 11.683 1.00 0.00 O ATOM 363 CB VAL A 26 -1.068 -9.279 11.292 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.833 -10.743 10.955 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.228 -8.488 11.206 1.00 0.00 C ATOM 0 H VAL A 26 -2.277 -6.971 11.572 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.806 -8.792 9.324 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.434 -9.222 12.317 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.078 -11.154 11.626 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.764 -11.297 11.073 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.488 -10.828 9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.969 -8.930 11.873 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.601 -8.512 10.182 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.044 -7.455 11.501 1.00 0.00 H new ATOM 375 N GLU A 27 -4.033 -9.883 9.460 1.00 0.00 N ATOM 376 CA GLU A 27 -5.297 -10.607 9.516 1.00 0.00 C ATOM 377 C GLU A 27 -5.058 -12.104 9.695 1.00 0.00 C ATOM 378 O GLU A 27 -5.632 -12.733 10.583 1.00 0.00 O ATOM 379 CB GLU A 27 -6.111 -10.358 8.245 1.00 0.00 C ATOM 380 CG GLU A 27 -6.687 -8.954 8.157 1.00 0.00 C ATOM 381 CD GLU A 27 -7.711 -8.813 7.048 1.00 0.00 C ATOM 382 OE1 GLU A 27 -8.828 -9.351 7.201 1.00 0.00 O ATOM 383 OE2 GLU A 27 -7.396 -8.166 6.028 1.00 0.00 O ATOM 0 H GLU A 27 -3.650 -9.776 8.521 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.859 -10.240 10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.477 -10.537 7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.926 -11.080 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.150 -8.695 9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.878 -8.243 7.992 1.00 0.00 H new ATOM 390 N GLY A 28 -4.207 -12.667 8.844 1.00 0.00 N ATOM 391 CA GLY A 28 -3.907 -14.085 8.923 1.00 0.00 C ATOM 392 C GLY A 28 -2.745 -14.483 8.035 1.00 0.00 C ATOM 393 O GLY A 28 -2.849 -15.424 7.249 1.00 0.00 O ATOM 0 H GLY A 28 -3.719 -12.167 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.677 -14.347 9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.790 -14.656 8.638 1.00 0.00 H new ATOM 397 N GLY A 29 -1.634 -13.763 8.158 1.00 0.00 N ATOM 398 CA GLY A 29 -0.465 -14.060 7.352 1.00 0.00 C ATOM 399 C GLY A 29 -0.165 -12.972 6.341 1.00 0.00 C ATOM 400 O GLY A 29 0.996 -12.699 6.040 1.00 0.00 O ATOM 0 H GLY A 29 -1.523 -12.979 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.398 -14.193 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.618 -15.004 6.830 1.00 0.00 H new ATOM 404 N GLU A 30 -1.215 -12.349 5.815 1.00 0.00 N ATOM 405 CA GLU A 30 -1.058 -11.286 4.830 1.00 0.00 C ATOM 406 C GLU A 30 -1.173 -9.914 5.487 1.00 0.00 C ATOM 407 O GLU A 30 -1.671 -9.789 6.607 1.00 0.00 O ATOM 408 CB GLU A 30 -2.108 -11.425 3.725 1.00 0.00 C ATOM 409 CG GLU A 30 -3.536 -11.452 4.243 1.00 0.00 C ATOM 410 CD GLU A 30 -4.561 -11.313 3.134 1.00 0.00 C ATOM 411 OE1 GLU A 30 -4.530 -12.130 2.191 1.00 0.00 O ATOM 412 OE2 GLU A 30 -5.394 -10.385 3.210 1.00 0.00 O ATOM 0 H GLU A 30 -2.183 -12.562 6.055 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.065 -11.377 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.000 -10.596 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.916 -12.341 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.708 -12.387 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.673 -10.645 4.963 1.00 0.00 H new ATOM 419 N LEU A 31 -0.710 -8.887 4.783 1.00 0.00 N ATOM 420 CA LEU A 31 -0.761 -7.522 5.297 1.00 0.00 C ATOM 421 C LEU A 31 -1.735 -6.671 4.489 1.00 0.00 C ATOM 422 O LEU A 31 -1.736 -6.710 3.259 1.00 0.00 O ATOM 423 CB LEU A 31 0.633 -6.892 5.264 1.00 0.00 C ATOM 424 CG LEU A 31 1.528 -7.179 6.471 1.00 0.00 C ATOM 425 CD1 LEU A 31 2.957 -6.741 6.191 1.00 0.00 C ATOM 426 CD2 LEU A 31 0.988 -6.484 7.712 1.00 0.00 C ATOM 0 H LEU A 31 -0.295 -8.973 3.855 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.112 -7.561 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.145 -7.238 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.520 -5.812 5.170 1.00 0.00 H new ATOM 0 HG LEU A 31 1.528 -8.254 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.579 -6.953 7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.342 -7.285 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.976 -5.671 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.637 -6.699 8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.958 -5.408 7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.018 -6.847 7.923 1.00 0.00 H new ATOM 438 N VAL A 32 -2.562 -5.902 5.189 1.00 0.00 N ATOM 439 CA VAL A 32 -3.539 -5.038 4.537 1.00 0.00 C ATOM 440 C VAL A 32 -3.482 -3.622 5.098 1.00 0.00 C ATOM 441 O VAL A 32 -3.418 -3.427 6.313 1.00 0.00 O ATOM 442 CB VAL A 32 -4.970 -5.586 4.700 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.963 -4.721 3.939 1.00 0.00 C ATOM 444 CG2 VAL A 32 -5.042 -7.032 4.234 1.00 0.00 C ATOM 0 H VAL A 32 -2.575 -5.859 6.208 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.285 -5.016 3.477 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.235 -5.555 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.968 -5.123 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.929 -3.702 4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.705 -4.717 2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.059 -7.403 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.758 -7.090 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.360 -7.640 4.828 1.00 0.00 H new ATOM 454 N ILE A 33 -3.507 -2.637 4.207 1.00 0.00 N ATOM 455 CA ILE A 33 -3.460 -1.238 4.614 1.00 0.00 C ATOM 456 C ILE A 33 -4.616 -0.898 5.548 1.00 0.00 C ATOM 457 O ILE A 33 -5.757 -0.751 5.112 1.00 0.00 O ATOM 458 CB ILE A 33 -3.504 -0.296 3.396 1.00 0.00 C ATOM 459 CG1 ILE A 33 -2.234 -0.452 2.557 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.672 1.147 3.848 1.00 0.00 C ATOM 461 CD1 ILE A 33 -2.279 0.303 1.247 1.00 0.00 C ATOM 0 H ILE A 33 -3.560 -2.782 3.199 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.517 -1.094 5.141 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.361 -0.565 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.380 -0.105 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.071 -1.510 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.701 1.800 2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.602 1.247 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.833 1.429 4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.346 0.147 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.113 -0.060 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.410 1.367 1.445 1.00 0.00 H new ATOM 473 N ALA A 34 -4.312 -0.772 6.835 1.00 0.00 N ATOM 474 CA ALA A 34 -5.325 -0.444 7.831 1.00 0.00 C ATOM 475 C ALA A 34 -5.719 1.027 7.751 1.00 0.00 C ATOM 476 O ALA A 34 -6.902 1.360 7.696 1.00 0.00 O ATOM 477 CB ALA A 34 -4.821 -0.782 9.227 1.00 0.00 C ATOM 0 H ALA A 34 -3.372 -0.892 7.213 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.212 -1.042 7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.587 -0.532 9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.597 -1.847 9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.918 -0.209 9.436 1.00 0.00 H new ATOM 483 N ARG A 35 -4.719 1.903 7.745 1.00 0.00 N ATOM 484 CA ARG A 35 -4.962 3.338 7.673 1.00 0.00 C ATOM 485 C ARG A 35 -3.864 4.036 6.876 1.00 0.00 C ATOM 486 O ARG A 35 -2.751 3.524 6.753 1.00 0.00 O ATOM 487 CB ARG A 35 -5.043 3.934 9.080 1.00 0.00 C ATOM 488 CG ARG A 35 -4.775 5.430 9.124 1.00 0.00 C ATOM 489 CD ARG A 35 -5.008 5.996 10.516 1.00 0.00 C ATOM 490 NE ARG A 35 -6.428 6.194 10.796 1.00 0.00 N ATOM 491 CZ ARG A 35 -6.897 6.582 11.976 1.00 0.00 C ATOM 492 NH1 ARG A 35 -6.063 6.814 12.981 1.00 0.00 N ATOM 493 NH2 ARG A 35 -8.202 6.740 12.153 1.00 0.00 N ATOM 0 H ARG A 35 -3.734 1.644 7.789 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.913 3.495 7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.033 3.739 9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.324 3.426 9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.748 5.626 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.423 5.938 8.410 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.583 5.320 11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.483 6.946 10.613 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.096 6.025 10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.059 6.694 12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.426 7.112 13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.846 6.563 11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.561 7.038 13.060 1.00 0.00 H new ATOM 507 N ILE A 36 -4.185 5.207 6.336 1.00 0.00 N ATOM 508 CA ILE A 36 -3.226 5.975 5.551 1.00 0.00 C ATOM 509 C ILE A 36 -3.145 7.417 6.040 1.00 0.00 C ATOM 510 O ILE A 36 -4.127 8.159 5.986 1.00 0.00 O ATOM 511 CB ILE A 36 -3.592 5.971 4.055 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.618 4.539 3.518 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.606 6.821 3.267 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.490 4.369 2.294 1.00 0.00 C ATOM 0 H ILE A 36 -5.102 5.645 6.428 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.256 5.495 5.680 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.587 6.401 3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.601 4.232 3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.973 3.871 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.877 6.809 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.633 7.846 3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.600 6.418 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.461 3.329 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.516 4.644 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.122 5.011 1.493 1.00 0.00 H new ATOM 526 N LEU A 37 -1.969 7.809 6.517 1.00 0.00 N ATOM 527 CA LEU A 37 -1.758 9.164 7.014 1.00 0.00 C ATOM 528 C LEU A 37 -2.162 10.198 5.967 1.00 0.00 C ATOM 529 O LEU A 37 -1.907 10.021 4.775 1.00 0.00 O ATOM 530 CB LEU A 37 -0.293 9.363 7.405 1.00 0.00 C ATOM 531 CG LEU A 37 0.080 8.966 8.834 1.00 0.00 C ATOM 532 CD1 LEU A 37 -0.696 9.801 9.840 1.00 0.00 C ATOM 533 CD2 LEU A 37 -0.176 7.483 9.059 1.00 0.00 C ATOM 0 H LEU A 37 -1.147 7.208 6.570 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.385 9.303 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.327 8.789 6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.039 10.414 7.263 1.00 0.00 H new ATOM 0 HG LEU A 37 1.143 9.157 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.417 9.504 10.851 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.463 10.856 9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.765 9.642 9.697 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.095 7.218 10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.232 7.267 8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.425 6.900 8.361 1.00 0.00 H new ATOM 545 N HIS A 38 -2.791 11.277 6.420 1.00 0.00 N ATOM 546 CA HIS A 38 -3.227 12.341 5.522 1.00 0.00 C ATOM 547 C HIS A 38 -2.050 13.220 5.109 1.00 0.00 C ATOM 548 O HIS A 38 -1.315 13.728 5.956 1.00 0.00 O ATOM 549 CB HIS A 38 -4.305 13.193 6.192 1.00 0.00 C ATOM 550 CG HIS A 38 -3.817 13.936 7.398 1.00 0.00 C ATOM 551 ND1 HIS A 38 -3.566 15.292 7.395 1.00 0.00 N ATOM 552 CD2 HIS A 38 -3.537 13.505 8.650 1.00 0.00 C ATOM 553 CE1 HIS A 38 -3.150 15.663 8.593 1.00 0.00 C ATOM 554 NE2 HIS A 38 -3.124 14.597 9.373 1.00 0.00 N ATOM 0 H HIS A 38 -3.010 11.438 7.403 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.644 11.879 4.627 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.694 13.908 5.467 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.136 12.550 6.483 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.622 12.491 9.013 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.878 16.667 8.885 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.843 14.587 10.353 1.00 0.00 H new ATOM 563 N GLY A 39 -1.877 13.396 3.803 1.00 0.00 N ATOM 564 CA GLY A 39 -0.788 14.213 3.301 1.00 0.00 C ATOM 565 C GLY A 39 0.504 13.433 3.157 1.00 0.00 C ATOM 566 O GLY A 39 1.418 13.577 3.968 1.00 0.00 O ATOM 0 H GLY A 39 -2.472 12.987 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.067 14.630 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.628 15.054 3.976 1.00 0.00 H new ATOM 570 N GLY A 40 0.579 12.601 2.122 1.00 0.00 N ATOM 571 CA GLY A 40 1.771 11.806 1.895 1.00 0.00 C ATOM 572 C GLY A 40 1.875 11.313 0.465 1.00 0.00 C ATOM 573 O GLY A 40 1.506 12.021 -0.471 1.00 0.00 O ATOM 0 H GLY A 40 -0.165 12.464 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.652 12.401 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.768 10.951 2.572 1.00 0.00 H new ATOM 577 N MET A 41 2.381 10.095 0.296 1.00 0.00 N ATOM 578 CA MET A 41 2.532 9.508 -1.030 1.00 0.00 C ATOM 579 C MET A 41 1.260 8.781 -1.452 1.00 0.00 C ATOM 580 O MET A 41 0.706 9.046 -2.519 1.00 0.00 O ATOM 581 CB MET A 41 3.717 8.541 -1.050 1.00 0.00 C ATOM 582 CG MET A 41 3.976 7.926 -2.416 1.00 0.00 C ATOM 583 SD MET A 41 5.092 8.920 -3.425 1.00 0.00 S ATOM 584 CE MET A 41 6.678 8.458 -2.732 1.00 0.00 C ATOM 0 H MET A 41 2.693 9.496 1.061 1.00 0.00 H new ATOM 0 HA MET A 41 2.718 10.315 -1.738 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.612 9.070 -0.723 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.537 7.743 -0.330 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.399 6.930 -2.287 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.029 7.805 -2.941 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.413 8.368 -3.532 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.003 9.222 -2.025 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.585 7.502 -2.216 1.00 0.00 H new ATOM 594 N VAL A 42 0.800 7.864 -0.607 1.00 0.00 N ATOM 595 CA VAL A 42 -0.408 7.099 -0.892 1.00 0.00 C ATOM 596 C VAL A 42 -1.631 8.007 -0.954 1.00 0.00 C ATOM 597 O VAL A 42 -2.503 7.834 -1.806 1.00 0.00 O ATOM 598 CB VAL A 42 -0.646 6.008 0.169 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.963 5.292 -0.086 1.00 0.00 C ATOM 600 CG2 VAL A 42 0.512 5.021 0.186 1.00 0.00 C ATOM 0 H VAL A 42 1.246 7.633 0.281 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.261 6.625 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.703 6.484 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.113 4.525 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.782 6.010 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.939 4.827 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.328 4.257 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.603 4.550 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.436 5.549 0.422 1.00 0.00 H new ATOM 610 N ALA A 43 -1.690 8.975 -0.046 1.00 0.00 N ATOM 611 CA ALA A 43 -2.805 9.912 0.001 1.00 0.00 C ATOM 612 C ALA A 43 -2.967 10.640 -1.329 1.00 0.00 C ATOM 613 O ALA A 43 -4.078 10.769 -1.844 1.00 0.00 O ATOM 614 CB ALA A 43 -2.607 10.912 1.131 1.00 0.00 C ATOM 0 H ALA A 43 -0.978 9.131 0.668 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.716 9.344 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.447 11.606 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.549 10.381 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.683 11.467 0.968 1.00 0.00 H new ATOM 620 N GLN A 44 -1.854 11.113 -1.879 1.00 0.00 N ATOM 621 CA GLN A 44 -1.874 11.829 -3.149 1.00 0.00 C ATOM 622 C GLN A 44 -1.793 10.858 -4.323 1.00 0.00 C ATOM 623 O GLN A 44 -1.443 11.245 -5.437 1.00 0.00 O ATOM 624 CB GLN A 44 -0.716 12.825 -3.216 1.00 0.00 C ATOM 625 CG GLN A 44 -0.760 13.883 -2.125 1.00 0.00 C ATOM 626 CD GLN A 44 -1.767 14.978 -2.414 1.00 0.00 C ATOM 627 OE1 GLN A 44 -2.362 15.022 -3.491 1.00 0.00 O ATOM 628 NE2 GLN A 44 -1.964 15.871 -1.451 1.00 0.00 N ATOM 0 H GLN A 44 -0.927 11.013 -1.465 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.816 12.373 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.225 12.280 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.727 13.317 -4.189 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.007 13.409 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.230 14.325 -2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.449 15.797 -0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.630 16.631 -1.589 1.00 0.00 H new ATOM 637 N GLN A 45 -2.119 9.595 -4.064 1.00 0.00 N ATOM 638 CA GLN A 45 -2.082 8.569 -5.099 1.00 0.00 C ATOM 639 C GLN A 45 -3.317 7.677 -5.026 1.00 0.00 C ATOM 640 O GLN A 45 -3.596 7.071 -3.993 1.00 0.00 O ATOM 641 CB GLN A 45 -0.816 7.721 -4.961 1.00 0.00 C ATOM 642 CG GLN A 45 0.382 8.292 -5.701 1.00 0.00 C ATOM 643 CD GLN A 45 1.665 7.543 -5.400 1.00 0.00 C ATOM 644 OE1 GLN A 45 1.681 6.616 -4.590 1.00 0.00 O ATOM 645 NE2 GLN A 45 2.751 7.941 -6.054 1.00 0.00 N ATOM 0 H GLN A 45 -2.411 9.258 -3.147 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.073 9.067 -6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.567 7.624 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.019 6.717 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.190 8.260 -6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.506 9.340 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.692 8.714 -6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.643 7.473 -5.893 1.00 0.00 H new ATOM 654 N GLY A 46 -4.053 7.602 -6.130 1.00 0.00 N ATOM 655 CA GLY A 46 -5.250 6.782 -6.170 1.00 0.00 C ATOM 656 C GLY A 46 -4.959 5.352 -6.581 1.00 0.00 C ATOM 657 O GLY A 46 -5.627 4.803 -7.458 1.00 0.00 O ATOM 0 H GLY A 46 -3.842 8.094 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.722 6.786 -5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.963 7.220 -6.868 1.00 0.00 H new ATOM 661 N LEU A 47 -3.960 4.748 -5.948 1.00 0.00 N ATOM 662 CA LEU A 47 -3.581 3.372 -6.254 1.00 0.00 C ATOM 663 C LEU A 47 -3.769 2.472 -5.037 1.00 0.00 C ATOM 664 O LEU A 47 -4.379 1.406 -5.128 1.00 0.00 O ATOM 665 CB LEU A 47 -2.127 3.316 -6.725 1.00 0.00 C ATOM 666 CG LEU A 47 -1.711 4.376 -7.745 1.00 0.00 C ATOM 667 CD1 LEU A 47 -0.197 4.515 -7.783 1.00 0.00 C ATOM 668 CD2 LEU A 47 -2.250 4.028 -9.125 1.00 0.00 C ATOM 0 H LEU A 47 -3.398 5.188 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.229 3.011 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.480 3.406 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.944 2.332 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.136 5.332 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.080 5.274 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.166 4.810 -6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.249 3.561 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.944 4.793 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.854 3.062 -9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.338 3.980 -9.089 1.00 0.00 H new ATOM 680 N LEU A 48 -3.243 2.909 -3.898 1.00 0.00 N ATOM 681 CA LEU A 48 -3.354 2.144 -2.661 1.00 0.00 C ATOM 682 C LEU A 48 -4.433 2.727 -1.755 1.00 0.00 C ATOM 683 O LEU A 48 -4.594 3.945 -1.668 1.00 0.00 O ATOM 684 CB LEU A 48 -2.012 2.125 -1.927 1.00 0.00 C ATOM 685 CG LEU A 48 -0.803 1.680 -2.751 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.482 2.232 -2.154 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.745 0.162 -2.837 1.00 0.00 C ATOM 0 H LEU A 48 -2.736 3.789 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.635 1.123 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.816 3.126 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.102 1.465 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.910 2.077 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.332 1.905 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.441 3.321 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.596 1.866 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.122 -0.136 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.662 -0.256 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.653 -0.210 -3.312 1.00 0.00 H new ATOM 699 N HIS A 49 -5.170 1.851 -1.079 1.00 0.00 N ATOM 700 CA HIS A 49 -6.232 2.279 -0.177 1.00 0.00 C ATOM 701 C HIS A 49 -6.490 1.227 0.897 1.00 0.00 C ATOM 702 O HIS A 49 -5.917 0.138 0.864 1.00 0.00 O ATOM 703 CB HIS A 49 -7.517 2.550 -0.960 1.00 0.00 C ATOM 704 CG HIS A 49 -7.599 3.940 -1.513 1.00 0.00 C ATOM 705 ND1 HIS A 49 -8.412 4.281 -2.574 1.00 0.00 N ATOM 706 CD2 HIS A 49 -6.966 5.078 -1.145 1.00 0.00 C ATOM 707 CE1 HIS A 49 -8.273 5.569 -2.835 1.00 0.00 C ATOM 708 NE2 HIS A 49 -7.402 6.076 -1.982 1.00 0.00 N ATOM 0 H HIS A 49 -5.051 0.840 -1.139 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.911 3.200 0.310 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.590 1.836 -1.781 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.373 2.376 -0.309 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.251 5.182 -0.342 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.785 6.114 -3.614 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.102 7.050 -1.950 1.00 0.00 H new ATOM 717 N VAL A 50 -7.356 1.560 1.850 1.00 0.00 N ATOM 718 CA VAL A 50 -7.689 0.644 2.934 1.00 0.00 C ATOM 719 C VAL A 50 -8.239 -0.671 2.392 1.00 0.00 C ATOM 720 O VAL A 50 -9.398 -0.752 1.987 1.00 0.00 O ATOM 721 CB VAL A 50 -8.723 1.263 3.894 1.00 0.00 C ATOM 722 CG1 VAL A 50 -9.102 0.271 4.982 1.00 0.00 C ATOM 723 CG2 VAL A 50 -8.183 2.550 4.499 1.00 0.00 C ATOM 0 H VAL A 50 -7.839 2.457 1.893 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.766 0.451 3.481 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.622 1.504 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.833 0.726 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.532 -0.621 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.213 -0.004 5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.926 2.974 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.269 2.336 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.967 3.263 3.704 1.00 0.00 H new ATOM 733 N GLY A 51 -7.398 -1.701 2.389 1.00 0.00 N ATOM 734 CA GLY A 51 -7.817 -3.000 1.896 1.00 0.00 C ATOM 735 C GLY A 51 -6.962 -3.486 0.742 1.00 0.00 C ATOM 736 O GLY A 51 -7.473 -4.061 -0.219 1.00 0.00 O ATOM 0 H GLY A 51 -6.434 -1.659 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.772 -3.725 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.857 -2.945 1.575 1.00 0.00 H new ATOM 740 N ASP A 52 -5.658 -3.253 0.836 1.00 0.00 N ATOM 741 CA ASP A 52 -4.729 -3.671 -0.208 1.00 0.00 C ATOM 742 C ASP A 52 -3.722 -4.681 0.333 1.00 0.00 C ATOM 743 O ASP A 52 -3.006 -4.404 1.295 1.00 0.00 O ATOM 744 CB ASP A 52 -3.995 -2.458 -0.782 1.00 0.00 C ATOM 745 CG ASP A 52 -4.815 -1.725 -1.825 1.00 0.00 C ATOM 746 OD1 ASP A 52 -6.002 -1.445 -1.556 1.00 0.00 O ATOM 747 OD2 ASP A 52 -4.271 -1.431 -2.910 1.00 0.00 O ATOM 0 H ASP A 52 -5.220 -2.777 1.624 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.304 -4.148 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.745 -1.772 0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.054 -2.783 -1.226 1.00 0.00 H new ATOM 752 N ILE A 53 -3.675 -5.853 -0.291 1.00 0.00 N ATOM 753 CA ILE A 53 -2.757 -6.905 0.127 1.00 0.00 C ATOM 754 C ILE A 53 -1.434 -6.812 -0.626 1.00 0.00 C ATOM 755 O ILE A 53 -1.411 -6.767 -1.857 1.00 0.00 O ATOM 756 CB ILE A 53 -3.363 -8.303 -0.094 1.00 0.00 C ATOM 757 CG1 ILE A 53 -4.765 -8.377 0.514 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.462 -9.372 0.506 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.602 -9.512 -0.033 1.00 0.00 C ATOM 0 H ILE A 53 -4.262 -6.098 -1.088 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.577 -6.761 1.192 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.443 -8.483 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.678 -8.489 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.282 -7.435 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.904 -10.355 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.482 -9.331 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.353 -9.197 1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.583 -9.503 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.720 -9.391 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.107 -10.461 0.173 1.00 0.00 H new ATOM 771 N ILE A 54 -0.335 -6.784 0.120 1.00 0.00 N ATOM 772 CA ILE A 54 0.991 -6.700 -0.478 1.00 0.00 C ATOM 773 C ILE A 54 1.626 -8.080 -0.605 1.00 0.00 C ATOM 774 O ILE A 54 1.898 -8.746 0.394 1.00 0.00 O ATOM 775 CB ILE A 54 1.923 -5.792 0.347 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.212 -4.487 0.709 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.204 -5.508 -0.424 1.00 0.00 C ATOM 778 CD1 ILE A 54 1.699 -3.872 2.002 1.00 0.00 C ATOM 0 H ILE A 54 -0.337 -6.818 1.139 1.00 0.00 H new ATOM 0 HA ILE A 54 0.863 -6.270 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 54 2.184 -6.309 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.352 -3.770 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.141 -4.676 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.852 -4.865 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.717 -6.446 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.961 -5.009 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.151 -2.950 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.534 -4.571 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.763 -3.651 1.922 1.00 0.00 H new ATOM 790 N LYS A 55 1.862 -8.505 -1.842 1.00 0.00 N ATOM 791 CA LYS A 55 2.468 -9.805 -2.102 1.00 0.00 C ATOM 792 C LYS A 55 3.973 -9.762 -1.858 1.00 0.00 C ATOM 793 O LYS A 55 4.475 -10.368 -0.911 1.00 0.00 O ATOM 794 CB LYS A 55 2.186 -10.244 -3.541 1.00 0.00 C ATOM 795 CG LYS A 55 2.944 -11.493 -3.956 1.00 0.00 C ATOM 796 CD LYS A 55 2.163 -12.754 -3.626 1.00 0.00 C ATOM 797 CE LYS A 55 2.474 -13.875 -4.606 1.00 0.00 C ATOM 798 NZ LYS A 55 2.318 -15.217 -3.981 1.00 0.00 N ATOM 0 H LYS A 55 1.642 -7.967 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 55 2.027 -10.527 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.117 -10.424 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.446 -9.430 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.146 -11.458 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.909 -11.519 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.403 -13.078 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.095 -12.537 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.812 -13.797 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.493 -13.762 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.539 -15.954 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.967 -15.301 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.339 -15.335 -3.652 1.00 0.00 H new ATOM 812 N GLU A 56 4.688 -9.043 -2.718 1.00 0.00 N ATOM 813 CA GLU A 56 6.135 -8.921 -2.594 1.00 0.00 C ATOM 814 C GLU A 56 6.583 -7.481 -2.827 1.00 0.00 C ATOM 815 O GLU A 56 5.867 -6.688 -3.439 1.00 0.00 O ATOM 816 CB GLU A 56 6.834 -9.851 -3.588 1.00 0.00 C ATOM 817 CG GLU A 56 8.191 -10.343 -3.111 1.00 0.00 C ATOM 818 CD GLU A 56 8.607 -11.641 -3.775 1.00 0.00 C ATOM 819 OE1 GLU A 56 9.131 -11.588 -4.908 1.00 0.00 O ATOM 820 OE2 GLU A 56 8.409 -12.711 -3.162 1.00 0.00 O ATOM 0 H GLU A 56 4.288 -8.536 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 56 6.412 -9.209 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.192 -10.711 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.959 -9.328 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.942 -9.579 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.163 -10.485 -2.031 1.00 0.00 H new ATOM 827 N VAL A 57 7.772 -7.150 -2.335 1.00 0.00 N ATOM 828 CA VAL A 57 8.316 -5.806 -2.489 1.00 0.00 C ATOM 829 C VAL A 57 9.775 -5.851 -2.931 1.00 0.00 C ATOM 830 O VAL A 57 10.638 -6.347 -2.209 1.00 0.00 O ATOM 831 CB VAL A 57 8.214 -5.005 -1.177 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.970 -5.709 -0.061 1.00 0.00 C ATOM 833 CG2 VAL A 57 8.735 -3.590 -1.376 1.00 0.00 C ATOM 0 H VAL A 57 8.377 -7.794 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 57 7.721 -5.310 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 57 7.165 -4.944 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.887 -5.128 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.546 -6.701 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.020 -5.803 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.656 -3.038 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.779 -3.627 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.144 -3.089 -2.143 1.00 0.00 H new ATOM 843 N ASN A 58 10.042 -5.329 -4.124 1.00 0.00 N ATOM 844 CA ASN A 58 11.397 -5.310 -4.664 1.00 0.00 C ATOM 845 C ASN A 58 12.010 -6.707 -4.644 1.00 0.00 C ATOM 846 O ASN A 58 13.206 -6.868 -4.404 1.00 0.00 O ATOM 847 CB ASN A 58 12.273 -4.345 -3.863 1.00 0.00 C ATOM 848 CG ASN A 58 11.626 -2.984 -3.691 1.00 0.00 C ATOM 849 OD1 ASN A 58 11.414 -2.258 -4.662 1.00 0.00 O ATOM 850 ND2 ASN A 58 11.309 -2.632 -2.450 1.00 0.00 N ATOM 0 H ASN A 58 9.339 -4.914 -4.735 1.00 0.00 H new ATOM 0 HA ASN A 58 11.345 -4.970 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.478 -4.774 -2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.233 -4.227 -4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.871 -1.728 -2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.503 -3.266 -1.675 1.00 0.00 H new ATOM 857 N GLY A 59 11.181 -7.715 -4.899 1.00 0.00 N ATOM 858 CA GLY A 59 11.660 -9.085 -4.907 1.00 0.00 C ATOM 859 C GLY A 59 11.995 -9.590 -3.517 1.00 0.00 C ATOM 860 O GLY A 59 12.943 -10.353 -3.340 1.00 0.00 O ATOM 0 H GLY A 59 10.187 -7.607 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.901 -9.729 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.546 -9.153 -5.538 1.00 0.00 H new ATOM 864 N GLN A 60 11.215 -9.161 -2.530 1.00 0.00 N ATOM 865 CA GLN A 60 11.436 -9.573 -1.149 1.00 0.00 C ATOM 866 C GLN A 60 10.113 -9.709 -0.403 1.00 0.00 C ATOM 867 O GLN A 60 9.168 -8.951 -0.623 1.00 0.00 O ATOM 868 CB GLN A 60 12.338 -8.566 -0.432 1.00 0.00 C ATOM 869 CG GLN A 60 13.821 -8.801 -0.671 1.00 0.00 C ATOM 870 CD GLN A 60 14.257 -10.205 -0.299 1.00 0.00 C ATOM 871 OE1 GLN A 60 14.370 -11.080 -1.158 1.00 0.00 O ATOM 872 NE2 GLN A 60 14.505 -10.427 0.986 1.00 0.00 N ATOM 0 H GLN A 60 10.425 -8.529 -2.661 1.00 0.00 H new ATOM 0 HA GLN A 60 11.927 -10.546 -1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.080 -7.560 -0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.139 -8.611 0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.049 -8.620 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.397 -8.080 -0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.398 -9.672 1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.802 -11.352 1.296 1.00 0.00 H new ATOM 881 N PRO A 61 10.041 -10.697 0.501 1.00 0.00 N ATOM 882 CA PRO A 61 8.838 -10.955 1.298 1.00 0.00 C ATOM 883 C PRO A 61 8.580 -9.862 2.329 1.00 0.00 C ATOM 884 O PRO A 61 9.440 -9.558 3.156 1.00 0.00 O ATOM 885 CB PRO A 61 9.152 -12.282 1.993 1.00 0.00 C ATOM 886 CG PRO A 61 10.639 -12.337 2.053 1.00 0.00 C ATOM 887 CD PRO A 61 11.129 -11.638 0.815 1.00 0.00 C ATOM 0 HA PRO A 61 7.939 -10.982 0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.714 -12.320 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.747 -13.126 1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.012 -11.846 2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.991 -13.368 2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.071 -11.119 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.301 -12.340 -0.001 1.00 0.00 H new ATOM 895 N VAL A 62 7.390 -9.273 2.274 1.00 0.00 N ATOM 896 CA VAL A 62 7.017 -8.213 3.204 1.00 0.00 C ATOM 897 C VAL A 62 6.954 -8.736 4.635 1.00 0.00 C ATOM 898 O VAL A 62 7.263 -8.016 5.584 1.00 0.00 O ATOM 899 CB VAL A 62 5.656 -7.595 2.835 1.00 0.00 C ATOM 900 CG1 VAL A 62 5.722 -6.939 1.464 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.562 -8.651 2.878 1.00 0.00 C ATOM 0 H VAL A 62 6.667 -9.512 1.595 1.00 0.00 H new ATOM 0 HA VAL A 62 7.787 -7.445 3.134 1.00 0.00 H new ATOM 0 HB VAL A 62 5.415 -6.826 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.751 -6.508 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.477 -6.153 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.986 -7.686 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.607 -8.196 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.794 -9.445 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.500 -9.070 3.882 1.00 0.00 H new ATOM 911 N GLY A 63 6.552 -9.995 4.783 1.00 0.00 N ATOM 912 CA GLY A 63 6.456 -10.593 6.102 1.00 0.00 C ATOM 913 C GLY A 63 5.103 -10.363 6.745 1.00 0.00 C ATOM 914 O GLY A 63 4.333 -9.513 6.300 1.00 0.00 O ATOM 0 H GLY A 63 6.291 -10.611 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.642 -11.664 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.235 -10.179 6.743 1.00 0.00 H new ATOM 918 N SER A 64 4.813 -11.124 7.796 1.00 0.00 N ATOM 919 CA SER A 64 3.541 -11.003 8.498 1.00 0.00 C ATOM 920 C SER A 64 3.620 -9.936 9.586 1.00 0.00 C ATOM 921 O SER A 64 2.967 -10.042 10.624 1.00 0.00 O ATOM 922 CB SER A 64 3.144 -12.346 9.114 1.00 0.00 C ATOM 923 OG SER A 64 4.051 -12.727 10.135 1.00 0.00 O ATOM 0 H SER A 64 5.441 -11.830 8.179 1.00 0.00 H new ATOM 0 HA SER A 64 2.782 -10.705 7.774 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.137 -12.278 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.121 -13.112 8.339 1.00 0.00 H new ATOM 0 HG SER A 64 3.774 -13.587 10.514 1.00 0.00 H new ATOM 929 N ASP A 65 4.425 -8.908 9.339 1.00 0.00 N ATOM 930 CA ASP A 65 4.591 -7.820 10.296 1.00 0.00 C ATOM 931 C ASP A 65 4.462 -6.466 9.606 1.00 0.00 C ATOM 932 O ASP A 65 5.221 -6.131 8.696 1.00 0.00 O ATOM 933 CB ASP A 65 5.949 -7.926 10.991 1.00 0.00 C ATOM 934 CG ASP A 65 5.979 -9.020 12.039 1.00 0.00 C ATOM 935 OD1 ASP A 65 4.974 -9.176 12.764 1.00 0.00 O ATOM 936 OD2 ASP A 65 7.008 -9.722 12.135 1.00 0.00 O ATOM 0 H ASP A 65 4.973 -8.805 8.485 1.00 0.00 H new ATOM 0 HA ASP A 65 3.802 -7.903 11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.721 -8.119 10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.190 -6.972 11.459 1.00 0.00 H new ATOM 941 N PRO A 66 3.479 -5.667 10.047 1.00 0.00 N ATOM 942 CA PRO A 66 3.228 -4.337 9.485 1.00 0.00 C ATOM 943 C PRO A 66 4.327 -3.341 9.838 1.00 0.00 C ATOM 944 O PRO A 66 4.868 -2.663 8.965 1.00 0.00 O ATOM 945 CB PRO A 66 1.904 -3.923 10.132 1.00 0.00 C ATOM 946 CG PRO A 66 1.846 -4.695 11.405 1.00 0.00 C ATOM 947 CD PRO A 66 2.537 -6.002 11.128 1.00 0.00 C ATOM 0 HA PRO A 66 3.200 -4.354 8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.873 -2.849 10.318 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.058 -4.159 9.487 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.341 -4.155 12.212 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.814 -4.857 11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.055 -6.378 12.010 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.830 -6.773 10.821 1.00 0.00 H new ATOM 955 N ARG A 67 4.654 -3.259 11.124 1.00 0.00 N ATOM 956 CA ARG A 67 5.689 -2.345 11.593 1.00 0.00 C ATOM 957 C ARG A 67 7.014 -2.616 10.886 1.00 0.00 C ATOM 958 O ARG A 67 7.762 -1.691 10.572 1.00 0.00 O ATOM 959 CB ARG A 67 5.869 -2.478 13.106 1.00 0.00 C ATOM 960 CG ARG A 67 4.581 -2.297 13.891 1.00 0.00 C ATOM 961 CD ARG A 67 4.720 -2.812 15.316 1.00 0.00 C ATOM 962 NE ARG A 67 3.845 -2.099 16.243 1.00 0.00 N ATOM 963 CZ ARG A 67 3.690 -2.441 17.517 1.00 0.00 C ATOM 964 NH1 ARG A 67 4.349 -3.479 18.013 1.00 0.00 N ATOM 965 NH2 ARG A 67 2.876 -1.743 18.298 1.00 0.00 N ATOM 0 H ARG A 67 4.217 -3.814 11.860 1.00 0.00 H new ATOM 0 HA ARG A 67 5.374 -1.328 11.360 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.285 -3.460 13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.597 -1.740 13.443 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.310 -1.241 13.909 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.770 -2.826 13.389 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.485 -3.876 15.341 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.755 -2.706 15.640 1.00 0.00 H new ATOM 0 HE ARG A 67 3.325 -1.295 15.893 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.977 -4.017 17.416 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.228 -3.739 18.992 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.368 -0.943 17.920 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.758 -2.006 19.276 1.00 0.00 H new ATOM 979 N ALA A 68 7.297 -3.891 10.639 1.00 0.00 N ATOM 980 CA ALA A 68 8.530 -4.283 9.968 1.00 0.00 C ATOM 981 C ALA A 68 8.492 -3.915 8.489 1.00 0.00 C ATOM 982 O ALA A 68 9.532 -3.712 7.862 1.00 0.00 O ATOM 983 CB ALA A 68 8.770 -5.777 10.136 1.00 0.00 C ATOM 0 H ALA A 68 6.689 -4.670 10.894 1.00 0.00 H new ATOM 0 HA ALA A 68 9.354 -3.739 10.429 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.694 -6.056 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.851 -6.016 11.197 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.937 -6.330 9.702 1.00 0.00 H new ATOM 989 N LEU A 69 7.287 -3.830 7.936 1.00 0.00 N ATOM 990 CA LEU A 69 7.113 -3.486 6.529 1.00 0.00 C ATOM 991 C LEU A 69 7.233 -1.980 6.318 1.00 0.00 C ATOM 992 O LEU A 69 8.010 -1.522 5.481 1.00 0.00 O ATOM 993 CB LEU A 69 5.753 -3.976 6.028 1.00 0.00 C ATOM 994 CG LEU A 69 5.124 -3.166 4.894 1.00 0.00 C ATOM 995 CD1 LEU A 69 5.915 -3.345 3.608 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.671 -3.572 4.691 1.00 0.00 C ATOM 0 H LEU A 69 6.416 -3.995 8.440 1.00 0.00 H new ATOM 0 HA LEU A 69 7.902 -3.978 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.862 -5.008 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.060 -3.985 6.869 1.00 0.00 H new ATOM 0 HG LEU A 69 5.150 -2.111 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.453 -2.761 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.939 -3.004 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.921 -4.399 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.239 -2.985 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.621 -4.631 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.111 -3.390 5.608 1.00 0.00 H new ATOM 1008 N GLN A 70 6.460 -1.217 7.084 1.00 0.00 N ATOM 1009 CA GLN A 70 6.482 0.238 6.980 1.00 0.00 C ATOM 1010 C GLN A 70 7.902 0.773 7.130 1.00 0.00 C ATOM 1011 O GLN A 70 8.190 1.908 6.753 1.00 0.00 O ATOM 1012 CB GLN A 70 5.575 0.859 8.044 1.00 0.00 C ATOM 1013 CG GLN A 70 4.110 0.480 7.892 1.00 0.00 C ATOM 1014 CD GLN A 70 3.337 0.605 9.190 1.00 0.00 C ATOM 1015 OE1 GLN A 70 3.277 1.678 9.790 1.00 0.00 O ATOM 1016 NE2 GLN A 70 2.740 -0.496 9.631 1.00 0.00 N ATOM 0 H GLN A 70 5.812 -1.581 7.782 1.00 0.00 H new ATOM 0 HA GLN A 70 6.113 0.513 5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.921 0.550 9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.667 1.944 8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.650 1.118 7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.040 -0.545 7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.816 -1.364 9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.205 -0.473 10.499 1.00 0.00 H new ATOM 1025 N GLU A 71 8.785 -0.052 7.684 1.00 0.00 N ATOM 1026 CA GLU A 71 10.175 0.340 7.885 1.00 0.00 C ATOM 1027 C GLU A 71 11.025 -0.029 6.672 1.00 0.00 C ATOM 1028 O GLU A 71 11.992 0.659 6.345 1.00 0.00 O ATOM 1029 CB GLU A 71 10.740 -0.328 9.140 1.00 0.00 C ATOM 1030 CG GLU A 71 12.234 -0.120 9.320 1.00 0.00 C ATOM 1031 CD GLU A 71 12.679 -0.292 10.759 1.00 0.00 C ATOM 1032 OE1 GLU A 71 12.172 -1.216 11.429 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.532 0.497 11.216 1.00 0.00 O ATOM 0 H GLU A 71 8.563 -0.995 8.001 1.00 0.00 H new ATOM 0 HA GLU A 71 10.206 1.422 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.219 0.062 10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.533 -1.397 9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.774 -0.827 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.501 0.880 8.978 1.00 0.00 H new ATOM 1040 N LEU A 72 10.657 -1.120 6.010 1.00 0.00 N ATOM 1041 CA LEU A 72 11.384 -1.583 4.833 1.00 0.00 C ATOM 1042 C LEU A 72 11.360 -0.530 3.729 1.00 0.00 C ATOM 1043 O LEU A 72 12.361 -0.307 3.047 1.00 0.00 O ATOM 1044 CB LEU A 72 10.783 -2.892 4.319 1.00 0.00 C ATOM 1045 CG LEU A 72 9.683 -2.756 3.265 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.275 -2.349 1.925 1.00 0.00 C ATOM 1047 CD2 LEU A 72 8.908 -4.059 3.133 1.00 0.00 C ATOM 0 H LEU A 72 9.859 -1.701 6.268 1.00 0.00 H new ATOM 0 HA LEU A 72 12.421 -1.756 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.587 -3.498 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.378 -3.442 5.169 1.00 0.00 H new ATOM 0 HG LEU A 72 8.993 -1.976 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.477 -2.257 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.785 -1.392 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.987 -3.106 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.129 -3.944 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.587 -4.858 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.452 -4.309 4.091 1.00 0.00 H new ATOM 1059 N LEU A 73 10.212 0.115 3.560 1.00 0.00 N ATOM 1060 CA LEU A 73 10.057 1.147 2.540 1.00 0.00 C ATOM 1061 C LEU A 73 10.902 2.373 2.873 1.00 0.00 C ATOM 1062 O LEU A 73 11.565 2.937 2.002 1.00 0.00 O ATOM 1063 CB LEU A 73 8.587 1.548 2.411 1.00 0.00 C ATOM 1064 CG LEU A 73 7.654 0.494 1.812 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.242 0.663 2.351 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.661 0.578 0.292 1.00 0.00 C ATOM 0 H LEU A 73 9.374 -0.058 4.116 1.00 0.00 H new ATOM 0 HA LEU A 73 10.401 0.738 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.215 1.813 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.529 2.447 1.797 1.00 0.00 H new ATOM 0 HG LEU A 73 8.016 -0.492 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.592 -0.095 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.251 0.552 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.869 1.654 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.992 -0.179 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.324 1.567 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.672 0.406 -0.077 1.00 0.00 H new ATOM 1078 N ARG A 74 10.876 2.777 4.138 1.00 0.00 N ATOM 1079 CA ARG A 74 11.640 3.935 4.586 1.00 0.00 C ATOM 1080 C ARG A 74 13.049 3.917 3.999 1.00 0.00 C ATOM 1081 O ARG A 74 13.550 4.939 3.531 1.00 0.00 O ATOM 1082 CB ARG A 74 11.714 3.965 6.114 1.00 0.00 C ATOM 1083 CG ARG A 74 12.350 5.229 6.669 1.00 0.00 C ATOM 1084 CD ARG A 74 12.083 5.379 8.158 1.00 0.00 C ATOM 1085 NE ARG A 74 12.687 6.592 8.703 1.00 0.00 N ATOM 1086 CZ ARG A 74 13.974 6.696 9.015 1.00 0.00 C ATOM 1087 NH1 ARG A 74 14.788 5.665 8.837 1.00 0.00 N ATOM 1088 NH2 ARG A 74 14.449 7.834 9.506 1.00 0.00 N ATOM 0 H ARG A 74 10.334 2.320 4.871 1.00 0.00 H new ATOM 0 HA ARG A 74 11.130 4.832 4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.707 3.867 6.520 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.282 3.101 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.425 5.205 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.959 6.097 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.007 5.399 8.333 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.475 4.510 8.686 1.00 0.00 H new ATOM 0 HE ARG A 74 12.088 7.404 8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.427 4.789 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.776 5.748 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.826 8.629 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 74 15.437 7.913 9.745 1.00 0.00 H new ATOM 1102 N ASN A 75 13.681 2.749 4.028 1.00 0.00 N ATOM 1103 CA ASN A 75 15.032 2.598 3.500 1.00 0.00 C ATOM 1104 C ASN A 75 15.008 1.941 2.123 1.00 0.00 C ATOM 1105 O ASN A 75 15.802 1.046 1.836 1.00 0.00 O ATOM 1106 CB ASN A 75 15.887 1.766 4.458 1.00 0.00 C ATOM 1107 CG ASN A 75 15.689 2.169 5.907 1.00 0.00 C ATOM 1108 OD1 ASN A 75 15.932 3.315 6.283 1.00 0.00 O ATOM 1109 ND2 ASN A 75 15.244 1.224 6.728 1.00 0.00 N ATOM 0 H ASN A 75 13.280 1.893 4.411 1.00 0.00 H new ATOM 0 HA ASN A 75 15.469 3.592 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.639 0.711 4.340 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.938 1.878 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.091 1.436 7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.056 0.287 6.372 1.00 0.00 H new ATOM 1116 N ALA A 76 14.090 2.393 1.274 1.00 0.00 N ATOM 1117 CA ALA A 76 13.964 1.852 -0.074 1.00 0.00 C ATOM 1118 C ALA A 76 14.260 2.918 -1.123 1.00 0.00 C ATOM 1119 O ALA A 76 13.348 3.561 -1.643 1.00 0.00 O ATOM 1120 CB ALA A 76 12.571 1.275 -0.282 1.00 0.00 C ATOM 0 H ALA A 76 13.423 3.132 1.496 1.00 0.00 H new ATOM 0 HA ALA A 76 14.697 1.054 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.490 0.874 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.396 0.477 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.828 2.060 -0.142 1.00 0.00 H new ATOM 1126 N SER A 77 15.540 3.100 -1.430 1.00 0.00 N ATOM 1127 CA SER A 77 15.956 4.092 -2.415 1.00 0.00 C ATOM 1128 C SER A 77 15.799 3.549 -3.832 1.00 0.00 C ATOM 1129 O SER A 77 15.962 2.354 -4.073 1.00 0.00 O ATOM 1130 CB SER A 77 17.410 4.503 -2.172 1.00 0.00 C ATOM 1131 OG SER A 77 17.712 5.720 -2.834 1.00 0.00 O ATOM 0 H SER A 77 16.307 2.574 -1.011 1.00 0.00 H new ATOM 0 HA SER A 77 15.315 4.967 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 77 17.586 4.614 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 77 18.078 3.717 -2.526 1.00 0.00 H new ATOM 0 HG SER A 77 18.646 5.963 -2.662 1.00 0.00 H new ATOM 1137 N GLY A 78 15.481 4.439 -4.768 1.00 0.00 N ATOM 1138 CA GLY A 78 15.307 4.031 -6.150 1.00 0.00 C ATOM 1139 C GLY A 78 13.867 3.684 -6.475 1.00 0.00 C ATOM 1140 O GLY A 78 12.974 3.876 -5.650 1.00 0.00 O ATOM 0 H GLY A 78 15.341 5.434 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.641 4.834 -6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.940 3.168 -6.353 1.00 0.00 H new ATOM 1144 N SER A 79 13.641 3.174 -7.681 1.00 0.00 N ATOM 1145 CA SER A 79 12.299 2.805 -8.115 1.00 0.00 C ATOM 1146 C SER A 79 11.784 1.604 -7.327 1.00 0.00 C ATOM 1147 O SER A 79 12.113 0.458 -7.634 1.00 0.00 O ATOM 1148 CB SER A 79 12.293 2.487 -9.612 1.00 0.00 C ATOM 1149 OG SER A 79 12.664 3.621 -10.375 1.00 0.00 O ATOM 0 H SER A 79 14.370 3.007 -8.375 1.00 0.00 H new ATOM 0 HA SER A 79 11.638 3.651 -7.928 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.981 1.667 -9.816 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.300 2.152 -9.912 1.00 0.00 H new ATOM 0 HG SER A 79 12.654 3.392 -11.328 1.00 0.00 H new ATOM 1155 N VAL A 80 10.974 1.876 -6.309 1.00 0.00 N ATOM 1156 CA VAL A 80 10.412 0.819 -5.476 1.00 0.00 C ATOM 1157 C VAL A 80 9.202 0.177 -6.145 1.00 0.00 C ATOM 1158 O VAL A 80 8.400 0.858 -6.786 1.00 0.00 O ATOM 1159 CB VAL A 80 9.995 1.356 -4.094 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.400 0.243 -3.245 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.183 1.996 -3.391 1.00 0.00 C ATOM 0 H VAL A 80 10.692 2.819 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 80 11.193 0.069 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 80 9.231 2.120 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.112 0.642 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.522 -0.166 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.140 -0.546 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.871 2.370 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.971 1.254 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.560 2.823 -3.993 1.00 0.00 H new ATOM 1171 N ILE A 81 9.076 -1.137 -5.992 1.00 0.00 N ATOM 1172 CA ILE A 81 7.963 -1.871 -6.581 1.00 0.00 C ATOM 1173 C ILE A 81 7.090 -2.503 -5.502 1.00 0.00 C ATOM 1174 O ILE A 81 7.589 -2.959 -4.472 1.00 0.00 O ATOM 1175 CB ILE A 81 8.457 -2.973 -7.536 1.00 0.00 C ATOM 1176 CG1 ILE A 81 9.147 -2.351 -8.752 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.297 -3.855 -7.972 1.00 0.00 C ATOM 1178 CD1 ILE A 81 10.415 -1.601 -8.410 1.00 0.00 C ATOM 0 H ILE A 81 9.731 -1.715 -5.465 1.00 0.00 H new ATOM 0 HA ILE A 81 7.373 -1.150 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 81 9.181 -3.594 -7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.382 -3.138 -9.468 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.453 -1.670 -9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.662 -4.629 -8.647 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.845 -4.321 -7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.552 -3.248 -8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.850 -1.187 -9.320 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.183 -0.791 -7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.127 -2.283 -7.945 1.00 0.00 H new ATOM 1190 N LEU A 82 5.784 -2.529 -5.746 1.00 0.00 N ATOM 1191 CA LEU A 82 4.840 -3.108 -4.796 1.00 0.00 C ATOM 1192 C LEU A 82 3.750 -3.891 -5.520 1.00 0.00 C ATOM 1193 O LEU A 82 2.892 -3.311 -6.186 1.00 0.00 O ATOM 1194 CB LEU A 82 4.210 -2.009 -3.938 1.00 0.00 C ATOM 1195 CG LEU A 82 5.183 -1.137 -3.143 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.509 0.153 -2.706 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.717 -1.897 -1.938 1.00 0.00 C ATOM 0 H LEU A 82 5.355 -2.156 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 82 5.388 -3.795 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.621 -1.362 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.516 -2.475 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 82 6.023 -0.882 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.217 0.760 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.177 0.706 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.650 -0.080 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.408 -1.261 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.888 -2.182 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.239 -2.793 -2.275 1.00 0.00 H new ATOM 1209 N LYS A 83 3.788 -5.212 -5.384 1.00 0.00 N ATOM 1210 CA LYS A 83 2.802 -6.077 -6.022 1.00 0.00 C ATOM 1211 C LYS A 83 1.567 -6.236 -5.141 1.00 0.00 C ATOM 1212 O LYS A 83 1.564 -7.029 -4.199 1.00 0.00 O ATOM 1213 CB LYS A 83 3.412 -7.449 -6.318 1.00 0.00 C ATOM 1214 CG LYS A 83 2.814 -8.130 -7.537 1.00 0.00 C ATOM 1215 CD LYS A 83 3.815 -9.060 -8.202 1.00 0.00 C ATOM 1216 CE LYS A 83 4.027 -10.326 -7.386 1.00 0.00 C ATOM 1217 NZ LYS A 83 4.982 -11.259 -8.047 1.00 0.00 N ATOM 0 H LYS A 83 4.492 -5.708 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 83 2.500 -5.612 -6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.486 -7.336 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.276 -8.093 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.930 -8.696 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.486 -7.376 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.462 -9.323 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.766 -8.543 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.403 -10.062 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.071 -10.828 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.099 -12.109 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.612 -11.531 -8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.902 -10.789 -8.163 1.00 0.00 H new ATOM 1231 N ILE A 84 0.521 -5.479 -5.455 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.720 -5.539 -4.692 1.00 0.00 C ATOM 1233 C ILE A 84 -1.678 -6.568 -5.282 1.00 0.00 C ATOM 1234 O ILE A 84 -1.565 -6.939 -6.452 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.420 -4.168 -4.649 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.388 -3.048 -4.505 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.423 -4.122 -3.505 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.220 -2.960 -3.123 1.00 0.00 C ATOM 0 H ILE A 84 0.508 -4.818 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.453 -5.834 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.958 -4.022 -5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.408 -3.202 -5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.861 -2.096 -4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.910 -3.147 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.173 -4.900 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.905 -4.286 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.942 -2.144 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.566 -2.774 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.722 -3.898 -2.886 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.622 -7.025 -4.467 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.602 -8.011 -4.908 1.00 0.00 C ATOM 1252 C LEU A 85 -4.914 -7.854 -4.145 1.00 0.00 C ATOM 1253 O LEU A 85 -4.921 -7.758 -2.917 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.054 -9.426 -4.716 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.304 -10.022 -5.908 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -0.833 -9.643 -5.858 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.466 -11.535 -5.938 1.00 0.00 C ATOM 0 H LEU A 85 -2.730 -6.728 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.797 -7.844 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.384 -9.421 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.886 -10.086 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.732 -9.612 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.316 -10.076 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.736 -8.558 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.391 -10.023 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.926 -11.942 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.065 -11.962 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.523 -11.786 -6.024 1.00 0.00 H new ATOM 1269 N SER A 86 -6.021 -7.831 -4.879 1.00 0.00 N ATOM 1270 CA SER A 86 -7.339 -7.684 -4.272 1.00 0.00 C ATOM 1271 C SER A 86 -7.735 -8.952 -3.521 1.00 0.00 C ATOM 1272 O SER A 86 -7.283 -10.048 -3.849 1.00 0.00 O ATOM 1273 CB SER A 86 -8.384 -7.364 -5.342 1.00 0.00 C ATOM 1274 OG SER A 86 -9.484 -6.663 -4.787 1.00 0.00 O ATOM 0 H SER A 86 -6.032 -7.912 -5.896 1.00 0.00 H new ATOM 0 HA SER A 86 -7.294 -6.860 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.929 -6.766 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.733 -8.288 -5.802 1.00 0.00 H new ATOM 0 HG SER A 86 -10.137 -6.469 -5.491 1.00 0.00 H new