USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -7.53! C(o=-7.5!,f=-7.8!) USER MOD Set 2.1: A 52 SER OG : rot 128:sc= 1.07 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 78 TYR OH : rot -150:sc= 0.354 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0242) USER MOD Single : A 17 TYR OH : rot 150:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 150:sc= -0.141 (180deg=-0.173) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= -0.152 (180deg=-1.21) USER MOD Single : A 57 GLN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.656 USER MOD Single : A 66 CYS SG : rot 180:sc= -0.0949 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.423 USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 26:sc= -1.13 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N GLY A 9 14.331 17.215 -3.801 1.00 0.00 N ATOM 86 CA GLY A 9 13.123 17.169 -4.603 1.00 0.00 C ATOM 87 C GLY A 9 11.866 17.299 -3.766 1.00 0.00 C ATOM 88 O GLY A 9 11.927 17.688 -2.599 1.00 0.00 O ATOM 0 HA2 GLY A 9 13.149 17.971 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.093 16.230 -5.155 1.00 0.00 H new ATOM 92 N ASP A 10 10.724 16.974 -4.362 1.00 0.00 N ATOM 93 CA ASP A 10 9.446 17.057 -3.663 1.00 0.00 C ATOM 94 C ASP A 10 8.611 15.805 -3.909 1.00 0.00 C ATOM 95 O ASP A 10 8.233 15.511 -5.042 1.00 0.00 O ATOM 96 CB ASP A 10 8.674 18.297 -4.114 1.00 0.00 C ATOM 97 CG ASP A 10 9.438 19.581 -3.855 1.00 0.00 C ATOM 98 OD1 ASP A 10 10.485 19.789 -4.503 1.00 0.00 O ATOM 99 OD2 ASP A 10 8.988 20.378 -3.005 1.00 0.00 O ATOM 0 H ASP A 10 10.657 16.651 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 10 9.648 17.133 -2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.454 18.217 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.717 18.335 -3.593 1.00 0.00 H new ATOM 104 N ALA A 11 8.326 15.070 -2.838 1.00 0.00 N ATOM 105 CA ALA A 11 7.534 13.850 -2.937 1.00 0.00 C ATOM 106 C ALA A 11 6.084 14.164 -3.291 1.00 0.00 C ATOM 107 O ALA A 11 5.405 13.363 -3.933 1.00 0.00 O ATOM 108 CB ALA A 11 7.604 13.068 -1.634 1.00 0.00 C ATOM 0 H ALA A 11 8.632 15.299 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 11 7.952 13.239 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.008 12.160 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.640 12.803 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.214 13.680 -0.821 1.00 0.00 H new ATOM 114 N ARG A 12 5.617 15.333 -2.866 1.00 0.00 N ATOM 115 CA ARG A 12 4.246 15.752 -3.137 1.00 0.00 C ATOM 116 C ARG A 12 4.004 15.884 -4.637 1.00 0.00 C ATOM 117 O ARG A 12 2.940 15.520 -5.139 1.00 0.00 O ATOM 118 CB ARG A 12 3.950 17.082 -2.442 1.00 0.00 C ATOM 119 CG ARG A 12 3.724 16.951 -0.945 1.00 0.00 C ATOM 120 CD ARG A 12 5.038 16.812 -0.193 1.00 0.00 C ATOM 121 NE ARG A 12 5.955 17.911 -0.487 1.00 0.00 N ATOM 122 CZ ARG A 12 5.833 19.128 0.031 1.00 0.00 C ATOM 123 NH1 ARG A 12 4.838 19.401 0.864 1.00 0.00 N ATOM 124 NH2 ARG A 12 6.707 20.075 -0.285 1.00 0.00 N ATOM 0 H ARG A 12 6.167 16.007 -2.333 1.00 0.00 H new ATOM 0 HA ARG A 12 3.575 14.988 -2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.780 17.766 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.066 17.531 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.185 17.825 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.096 16.083 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.841 16.781 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.509 15.866 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 12 6.731 17.734 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.164 18.676 1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.747 20.336 1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.473 19.869 -0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.613 21.009 0.113 1.00 0.00 H new ATOM 138 N ARG A 13 4.998 16.407 -5.348 1.00 0.00 N ATOM 139 CA ARG A 13 4.892 16.589 -6.791 1.00 0.00 C ATOM 140 C ARG A 13 4.981 15.249 -7.516 1.00 0.00 C ATOM 141 O ARG A 13 4.415 15.077 -8.594 1.00 0.00 O ATOM 142 CB ARG A 13 5.994 17.525 -7.290 1.00 0.00 C ATOM 143 CG ARG A 13 5.982 18.890 -6.622 1.00 0.00 C ATOM 144 CD ARG A 13 6.619 19.950 -7.508 1.00 0.00 C ATOM 145 NE ARG A 13 6.373 21.300 -7.010 1.00 0.00 N ATOM 146 CZ ARG A 13 6.972 22.382 -7.493 1.00 0.00 C ATOM 147 NH1 ARG A 13 7.849 22.273 -8.482 1.00 0.00 N ATOM 148 NH2 ARG A 13 6.695 23.578 -6.988 1.00 0.00 N ATOM 0 H ARG A 13 5.886 16.712 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 13 3.921 17.035 -7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.963 17.055 -7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.888 17.656 -8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.955 19.175 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.517 18.837 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.693 19.776 -7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.226 19.860 -8.521 1.00 0.00 H new ATOM 0 HE ARG A 13 5.704 21.419 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.065 21.356 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.308 23.106 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.021 23.667 -6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.156 24.408 -7.360 1.00 0.00 H new ATOM 162 N ALA A 14 5.697 14.304 -6.915 1.00 0.00 N ATOM 163 CA ALA A 14 5.859 12.980 -7.502 1.00 0.00 C ATOM 164 C ALA A 14 4.510 12.297 -7.698 1.00 0.00 C ATOM 165 O ALA A 14 3.621 12.401 -6.853 1.00 0.00 O ATOM 166 CB ALA A 14 6.765 12.123 -6.630 1.00 0.00 C ATOM 0 H ALA A 14 6.174 14.431 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 14 6.322 13.099 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.877 11.137 -7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.743 12.597 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.325 12.021 -5.638 1.00 0.00 H new ATOM 172 N LYS A 15 4.362 11.598 -8.818 1.00 0.00 N ATOM 173 CA LYS A 15 3.121 10.897 -9.126 1.00 0.00 C ATOM 174 C LYS A 15 3.366 9.399 -9.279 1.00 0.00 C ATOM 175 O LYS A 15 4.471 8.971 -9.614 1.00 0.00 O ATOM 176 CB LYS A 15 2.500 11.456 -10.408 1.00 0.00 C ATOM 177 CG LYS A 15 1.558 12.623 -10.168 1.00 0.00 C ATOM 178 CD LYS A 15 0.938 13.116 -11.465 1.00 0.00 C ATOM 179 CE LYS A 15 -0.056 14.240 -11.216 1.00 0.00 C ATOM 180 NZ LYS A 15 -1.314 13.741 -10.596 1.00 0.00 N ATOM 0 H LYS A 15 5.087 11.502 -9.529 1.00 0.00 H new ATOM 0 HA LYS A 15 2.430 11.052 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.297 11.776 -11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.956 10.659 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.770 12.319 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.102 13.438 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.723 13.465 -12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.435 12.289 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.397 14.988 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.288 14.735 -12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.003 14.518 -10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.707 12.974 -11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.112 13.383 -9.641 1.00 0.00 H new ATOM 194 N VAL A 16 2.328 8.606 -9.033 1.00 0.00 N ATOM 195 CA VAL A 16 2.430 7.156 -9.145 1.00 0.00 C ATOM 196 C VAL A 16 1.226 6.576 -9.880 1.00 0.00 C ATOM 197 O VAL A 16 0.091 6.686 -9.416 1.00 0.00 O ATOM 198 CB VAL A 16 2.541 6.492 -7.760 1.00 0.00 C ATOM 199 CG1 VAL A 16 3.875 6.828 -7.112 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.383 6.919 -6.870 1.00 0.00 C ATOM 0 H VAL A 16 1.407 8.944 -8.755 1.00 0.00 H new ATOM 0 HA VAL A 16 3.336 6.945 -9.714 1.00 0.00 H new ATOM 0 HB VAL A 16 2.490 5.411 -7.889 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.935 6.350 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.687 6.467 -7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.960 7.908 -6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.477 6.440 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.400 8.002 -6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.441 6.621 -7.331 1.00 0.00 H new ATOM 210 N TYR A 17 1.482 5.959 -11.028 1.00 0.00 N ATOM 211 CA TYR A 17 0.419 5.362 -11.829 1.00 0.00 C ATOM 212 C TYR A 17 0.841 3.997 -12.363 1.00 0.00 C ATOM 213 O TYR A 17 2.005 3.782 -12.699 1.00 0.00 O ATOM 214 CB TYR A 17 0.048 6.285 -12.990 1.00 0.00 C ATOM 215 CG TYR A 17 1.227 7.039 -13.565 1.00 0.00 C ATOM 216 CD1 TYR A 17 2.120 6.417 -14.429 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.446 8.373 -13.245 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.198 7.102 -14.956 1.00 0.00 C ATOM 219 CE2 TYR A 17 2.521 9.066 -13.768 1.00 0.00 C ATOM 220 CZ TYR A 17 3.394 8.426 -14.622 1.00 0.00 C ATOM 221 OH TYR A 17 4.466 9.111 -15.146 1.00 0.00 O ATOM 0 H TYR A 17 2.416 5.859 -11.425 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.453 5.227 -11.189 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.414 5.693 -13.780 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.699 7.001 -12.649 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.969 5.381 -14.693 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.764 8.877 -12.576 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.883 6.604 -15.626 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.676 10.103 -13.509 1.00 0.00 H new ATOM 0 HH TYR A 17 4.236 10.060 -15.235 1.00 0.00 H new ATOM 231 N GLY A 18 -0.116 3.077 -12.440 1.00 0.00 N ATOM 232 CA GLY A 18 0.174 1.745 -12.936 1.00 0.00 C ATOM 233 C GLY A 18 -0.951 0.766 -12.660 1.00 0.00 C ATOM 234 O GLY A 18 -2.117 1.154 -12.592 1.00 0.00 O ATOM 0 H GLY A 18 -1.087 3.231 -12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.355 1.792 -14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.091 1.380 -12.473 1.00 0.00 H new ATOM 238 N ARG A 19 -0.601 -0.506 -12.504 1.00 0.00 N ATOM 239 CA ARG A 19 -1.591 -1.543 -12.237 1.00 0.00 C ATOM 240 C ARG A 19 -1.366 -2.170 -10.864 1.00 0.00 C ATOM 241 O ARG A 19 -2.314 -2.568 -10.189 1.00 0.00 O ATOM 242 CB ARG A 19 -1.532 -2.624 -13.318 1.00 0.00 C ATOM 243 CG ARG A 19 -2.552 -3.734 -13.126 1.00 0.00 C ATOM 244 CD ARG A 19 -2.211 -4.956 -13.965 1.00 0.00 C ATOM 245 NE ARG A 19 -2.237 -4.661 -15.396 1.00 0.00 N ATOM 246 CZ ARG A 19 -2.039 -5.576 -16.338 1.00 0.00 C ATOM 247 NH1 ARG A 19 -1.801 -6.837 -16.003 1.00 0.00 N ATOM 248 NH2 ARG A 19 -2.078 -5.230 -17.619 1.00 0.00 N ATOM 0 H ARG A 19 0.360 -0.844 -12.558 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.577 -1.079 -12.248 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.691 -2.161 -14.292 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.533 -3.059 -13.331 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.593 -4.014 -12.073 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.543 -3.370 -13.398 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.222 -5.322 -13.688 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.919 -5.755 -13.746 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.417 -3.700 -15.687 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.770 -7.106 -15.020 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.649 -7.538 -16.729 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.260 -4.261 -17.880 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.926 -5.933 -18.342 1.00 0.00 H new ATOM 262 N GLY A 20 -0.103 -2.253 -10.457 1.00 0.00 N ATOM 263 CA GLY A 20 0.224 -2.832 -9.167 1.00 0.00 C ATOM 264 C GLY A 20 0.117 -1.829 -8.037 1.00 0.00 C ATOM 265 O GLY A 20 0.726 -2.004 -6.981 1.00 0.00 O ATOM 0 H GLY A 20 0.699 -1.930 -10.997 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.444 -3.670 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.237 -3.232 -9.198 1.00 0.00 H new ATOM 269 N LEU A 21 -0.659 -0.773 -8.257 1.00 0.00 N ATOM 270 CA LEU A 21 -0.843 0.265 -7.249 1.00 0.00 C ATOM 271 C LEU A 21 -2.282 0.283 -6.743 1.00 0.00 C ATOM 272 O LEU A 21 -2.553 0.735 -5.630 1.00 0.00 O ATOM 273 CB LEU A 21 -0.475 1.634 -7.824 1.00 0.00 C ATOM 274 CG LEU A 21 0.944 1.771 -8.377 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.120 3.113 -9.070 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.968 1.604 -7.264 1.00 0.00 C ATOM 0 H LEU A 21 -1.171 -0.613 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.185 0.042 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.179 1.872 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.613 2.382 -7.044 1.00 0.00 H new ATOM 0 HG LEU A 21 1.105 0.983 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.136 3.192 -9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.411 3.193 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.940 3.917 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.972 1.704 -7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.809 2.370 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.858 0.618 -6.813 1.00 0.00 H new ATOM 288 N SER A 22 -3.200 -0.213 -7.566 1.00 0.00 N ATOM 289 CA SER A 22 -4.611 -0.252 -7.203 1.00 0.00 C ATOM 290 C SER A 22 -5.068 -1.686 -6.954 1.00 0.00 C ATOM 291 O SER A 22 -5.522 -2.023 -5.861 1.00 0.00 O ATOM 292 CB SER A 22 -5.461 0.382 -8.305 1.00 0.00 C ATOM 293 OG SER A 22 -5.357 1.795 -8.281 1.00 0.00 O ATOM 0 H SER A 22 -2.991 -0.594 -8.489 1.00 0.00 H new ATOM 0 HA SER A 22 -4.740 0.317 -6.282 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.140 0.007 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.503 0.089 -8.179 1.00 0.00 H new ATOM 0 HG SER A 22 -5.908 2.176 -8.996 1.00 0.00 H new ATOM 299 N GLU A 23 -4.945 -2.526 -7.978 1.00 0.00 N ATOM 300 CA GLU A 23 -5.346 -3.924 -7.871 1.00 0.00 C ATOM 301 C GLU A 23 -4.187 -4.851 -8.222 1.00 0.00 C ATOM 302 O GLU A 23 -3.078 -4.398 -8.504 1.00 0.00 O ATOM 303 CB GLU A 23 -6.537 -4.207 -8.789 1.00 0.00 C ATOM 304 CG GLU A 23 -6.250 -3.942 -10.258 1.00 0.00 C ATOM 305 CD GLU A 23 -7.360 -4.432 -11.167 1.00 0.00 C ATOM 306 OE1 GLU A 23 -8.541 -4.302 -10.785 1.00 0.00 O ATOM 307 OE2 GLU A 23 -7.046 -4.946 -12.261 1.00 0.00 O ATOM 0 H GLU A 23 -4.571 -2.263 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.639 -4.114 -6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.839 -5.247 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.381 -3.592 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.107 -2.872 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.316 -4.430 -10.536 1.00 0.00 H new ATOM 314 N GLY A 24 -4.451 -6.154 -8.203 1.00 0.00 N ATOM 315 CA GLY A 24 -3.421 -7.125 -8.520 1.00 0.00 C ATOM 316 C GLY A 24 -3.876 -8.552 -8.285 1.00 0.00 C ATOM 317 O GLY A 24 -5.013 -8.788 -7.874 1.00 0.00 O ATOM 0 H GLY A 24 -5.361 -6.554 -7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.125 -7.009 -9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.538 -6.924 -7.914 1.00 0.00 H new ATOM 321 N ARG A 25 -2.989 -9.506 -8.549 1.00 0.00 N ATOM 322 CA ARG A 25 -3.308 -10.917 -8.366 1.00 0.00 C ATOM 323 C ARG A 25 -2.065 -11.707 -7.964 1.00 0.00 C ATOM 324 O ARG A 25 -0.937 -11.253 -8.160 1.00 0.00 O ATOM 325 CB ARG A 25 -3.901 -11.498 -9.651 1.00 0.00 C ATOM 326 CG ARG A 25 -5.415 -11.389 -9.726 1.00 0.00 C ATOM 327 CD ARG A 25 -5.987 -12.305 -10.796 1.00 0.00 C ATOM 328 NE ARG A 25 -5.373 -12.073 -12.101 1.00 0.00 N ATOM 329 CZ ARG A 25 -5.882 -12.522 -13.243 1.00 0.00 C ATOM 330 NH1 ARG A 25 -7.007 -13.223 -13.241 1.00 0.00 N ATOM 331 NH2 ARG A 25 -5.264 -12.270 -14.390 1.00 0.00 N ATOM 0 H ARG A 25 -2.044 -9.328 -8.890 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.044 -10.997 -7.566 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.465 -10.983 -10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.616 -12.547 -9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.848 -11.644 -8.758 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.697 -10.358 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.834 -13.344 -10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.063 -12.149 -10.869 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.506 -11.537 -12.137 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.484 -13.419 -12.361 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.395 -13.566 -14.119 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.398 -11.731 -14.395 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.655 -12.615 -15.267 1.00 0.00 H new ATOM 345 N THR A 26 -2.281 -12.891 -7.400 1.00 0.00 N ATOM 346 CA THR A 26 -1.180 -13.744 -6.969 1.00 0.00 C ATOM 347 C THR A 26 -0.476 -14.379 -8.163 1.00 0.00 C ATOM 348 O THR A 26 -1.054 -14.504 -9.243 1.00 0.00 O ATOM 349 CB THR A 26 -1.669 -14.857 -6.024 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.583 -15.718 -6.712 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.346 -14.266 -4.797 1.00 0.00 C ATOM 0 H THR A 26 -3.208 -13.281 -7.231 1.00 0.00 H new ATOM 0 HA THR A 26 -0.477 -13.106 -6.434 1.00 0.00 H new ATOM 0 HB THR A 26 -0.803 -15.434 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.888 -16.424 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.683 -15.071 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.638 -13.635 -4.259 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.203 -13.668 -5.107 1.00 0.00 H new ATOM 359 N PHE A 27 0.775 -14.780 -7.962 1.00 0.00 N ATOM 360 CA PHE A 27 1.558 -15.403 -9.023 1.00 0.00 C ATOM 361 C PHE A 27 1.540 -14.547 -10.286 1.00 0.00 C ATOM 362 O PHE A 27 1.691 -15.057 -11.395 1.00 0.00 O ATOM 363 CB PHE A 27 1.017 -16.800 -9.332 1.00 0.00 C ATOM 364 CG PHE A 27 1.385 -17.827 -8.299 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.146 -17.594 -6.955 1.00 0.00 C ATOM 366 CD2 PHE A 27 1.970 -19.026 -8.674 1.00 0.00 C ATOM 367 CE1 PHE A 27 1.483 -18.537 -6.002 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.308 -19.973 -7.726 1.00 0.00 C ATOM 369 CZ PHE A 27 2.066 -19.728 -6.388 1.00 0.00 C ATOM 0 H PHE A 27 1.268 -14.685 -7.074 1.00 0.00 H new ATOM 0 HA PHE A 27 2.588 -15.489 -8.678 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.069 -16.751 -9.413 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.395 -17.121 -10.303 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.691 -16.664 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.164 -19.222 -9.718 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.291 -18.343 -4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.761 -20.905 -8.031 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.332 -20.466 -5.646 1.00 0.00 H new ATOM 379 N GLU A 28 1.353 -13.243 -10.108 1.00 0.00 N ATOM 380 CA GLU A 28 1.314 -12.317 -11.233 1.00 0.00 C ATOM 381 C GLU A 28 2.177 -11.089 -10.958 1.00 0.00 C ATOM 382 O GLU A 28 1.907 -10.322 -10.034 1.00 0.00 O ATOM 383 CB GLU A 28 -0.127 -11.887 -11.519 1.00 0.00 C ATOM 384 CG GLU A 28 -0.233 -10.712 -12.476 1.00 0.00 C ATOM 385 CD GLU A 28 -1.583 -10.639 -13.163 1.00 0.00 C ATOM 386 OE1 GLU A 28 -1.819 -11.443 -14.090 1.00 0.00 O ATOM 387 OE2 GLU A 28 -2.402 -9.780 -12.775 1.00 0.00 O ATOM 0 H GLU A 28 1.226 -12.804 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 28 1.713 -12.832 -12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.674 -12.733 -11.934 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.612 -11.624 -10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.057 -9.786 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.550 -10.790 -13.230 1.00 0.00 H new ATOM 394 N MET A 29 3.216 -10.910 -11.767 1.00 0.00 N ATOM 395 CA MET A 29 4.119 -9.775 -11.611 1.00 0.00 C ATOM 396 C MET A 29 3.395 -8.462 -11.891 1.00 0.00 C ATOM 397 O MET A 29 2.998 -8.191 -13.025 1.00 0.00 O ATOM 398 CB MET A 29 5.319 -9.919 -12.548 1.00 0.00 C ATOM 399 CG MET A 29 6.475 -8.994 -12.201 1.00 0.00 C ATOM 400 SD MET A 29 8.058 -9.600 -12.816 1.00 0.00 S ATOM 401 CE MET A 29 8.963 -9.799 -11.283 1.00 0.00 C ATOM 0 H MET A 29 3.454 -11.536 -12.537 1.00 0.00 H new ATOM 0 HA MET A 29 4.472 -9.762 -10.580 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.669 -10.951 -12.521 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.998 -9.718 -13.570 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.282 -8.006 -12.618 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.530 -8.878 -11.119 1.00 0.00 H new ATOM 0 HE1 MET A 29 9.686 -10.608 -11.389 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.487 -8.873 -11.047 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.268 -10.037 -10.478 1.00 0.00 H new ATOM 411 N SER A 30 3.226 -7.651 -10.852 1.00 0.00 N ATOM 412 CA SER A 30 2.546 -6.368 -10.986 1.00 0.00 C ATOM 413 C SER A 30 3.516 -5.212 -10.759 1.00 0.00 C ATOM 414 O SER A 30 3.992 -4.997 -9.644 1.00 0.00 O ATOM 415 CB SER A 30 1.384 -6.276 -9.995 1.00 0.00 C ATOM 416 OG SER A 30 0.368 -7.212 -10.312 1.00 0.00 O ATOM 0 H SER A 30 3.551 -7.860 -9.908 1.00 0.00 H new ATOM 0 HA SER A 30 2.155 -6.297 -12.001 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.749 -6.459 -8.984 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.970 -5.268 -10.007 1.00 0.00 H new ATOM 0 HG SER A 30 -0.362 -7.134 -9.663 1.00 0.00 H new ATOM 422 N ASP A 31 3.804 -4.472 -11.823 1.00 0.00 N ATOM 423 CA ASP A 31 4.716 -3.337 -11.741 1.00 0.00 C ATOM 424 C ASP A 31 3.971 -2.024 -11.959 1.00 0.00 C ATOM 425 O ASP A 31 2.787 -2.018 -12.296 1.00 0.00 O ATOM 426 CB ASP A 31 5.836 -3.480 -12.773 1.00 0.00 C ATOM 427 CG ASP A 31 5.358 -4.118 -14.062 1.00 0.00 C ATOM 428 OD1 ASP A 31 5.087 -5.337 -14.055 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.254 -3.398 -15.078 1.00 0.00 O ATOM 0 H ASP A 31 3.419 -4.637 -12.753 1.00 0.00 H new ATOM 0 HA ASP A 31 5.152 -3.324 -10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.253 -2.497 -12.991 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.641 -4.081 -12.350 1.00 0.00 H new ATOM 434 N PHE A 32 4.672 -0.912 -11.763 1.00 0.00 N ATOM 435 CA PHE A 32 4.077 0.408 -11.936 1.00 0.00 C ATOM 436 C PHE A 32 5.155 1.469 -12.134 1.00 0.00 C ATOM 437 O PHE A 32 6.334 1.227 -11.874 1.00 0.00 O ATOM 438 CB PHE A 32 3.211 0.763 -10.725 1.00 0.00 C ATOM 439 CG PHE A 32 3.952 0.702 -9.420 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.020 -0.482 -8.702 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.579 1.827 -8.911 1.00 0.00 C ATOM 442 CE1 PHE A 32 4.702 -0.542 -7.501 1.00 0.00 C ATOM 443 CE2 PHE A 32 5.262 1.773 -7.711 1.00 0.00 C ATOM 444 CZ PHE A 32 5.322 0.588 -7.004 1.00 0.00 C ATOM 0 H PHE A 32 5.653 -0.899 -11.484 1.00 0.00 H new ATOM 0 HA PHE A 32 3.450 0.383 -12.827 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.808 1.767 -10.858 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.361 0.081 -10.684 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.535 -1.367 -9.085 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.534 2.757 -9.458 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.750 -1.471 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.749 2.657 -7.326 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.853 0.545 -6.064 1.00 0.00 H new ATOM 454 N ILE A 33 4.742 2.645 -12.594 1.00 0.00 N ATOM 455 CA ILE A 33 5.671 3.744 -12.826 1.00 0.00 C ATOM 456 C ILE A 33 5.632 4.748 -11.679 1.00 0.00 C ATOM 457 O ILE A 33 4.623 4.878 -10.987 1.00 0.00 O ATOM 458 CB ILE A 33 5.360 4.476 -14.145 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.931 3.698 -15.332 1.00 0.00 C ATOM 460 CG2 ILE A 33 5.922 5.889 -14.111 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.418 3.442 -15.228 1.00 0.00 C ATOM 0 H ILE A 33 3.770 2.861 -12.814 1.00 0.00 H new ATOM 0 HA ILE A 33 6.667 3.307 -12.889 1.00 0.00 H new ATOM 0 HB ILE A 33 4.278 4.539 -14.263 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.411 2.743 -15.414 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.729 4.251 -16.249 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.694 6.394 -15.050 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.472 6.440 -13.285 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.003 5.848 -13.974 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.754 2.886 -16.104 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.948 4.393 -15.177 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.625 2.862 -14.329 1.00 0.00 H new ATOM 473 N VAL A 34 6.739 5.458 -11.484 1.00 0.00 N ATOM 474 CA VAL A 34 6.831 6.454 -10.423 1.00 0.00 C ATOM 475 C VAL A 34 7.374 7.775 -10.954 1.00 0.00 C ATOM 476 O VAL A 34 8.583 7.940 -11.120 1.00 0.00 O ATOM 477 CB VAL A 34 7.733 5.966 -9.273 1.00 0.00 C ATOM 478 CG1 VAL A 34 7.963 7.082 -8.265 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.124 4.746 -8.600 1.00 0.00 C ATOM 0 H VAL A 34 7.584 5.362 -12.047 1.00 0.00 H new ATOM 0 HA VAL A 34 5.821 6.607 -10.044 1.00 0.00 H new ATOM 0 HB VAL A 34 8.699 5.679 -9.688 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.602 6.719 -7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.446 7.925 -8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.006 7.402 -7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.774 4.415 -7.790 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.145 5.004 -8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.016 3.944 -9.330 1.00 0.00 H new ATOM 489 N ASP A 35 6.473 8.715 -11.219 1.00 0.00 N ATOM 490 CA ASP A 35 6.862 10.024 -11.731 1.00 0.00 C ATOM 491 C ASP A 35 7.627 10.815 -10.675 1.00 0.00 C ATOM 492 O ASP A 35 7.053 11.261 -9.680 1.00 0.00 O ATOM 493 CB ASP A 35 5.627 10.807 -12.178 1.00 0.00 C ATOM 494 CG ASP A 35 5.822 12.307 -12.070 1.00 0.00 C ATOM 495 OD1 ASP A 35 6.395 12.900 -13.007 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.400 12.887 -11.048 1.00 0.00 O ATOM 0 H ASP A 35 5.469 8.595 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 35 7.516 9.872 -12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.390 10.548 -13.210 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.772 10.510 -11.570 1.00 0.00 H new ATOM 501 N THR A 36 8.927 10.986 -10.896 1.00 0.00 N ATOM 502 CA THR A 36 9.771 11.721 -9.963 1.00 0.00 C ATOM 503 C THR A 36 10.506 12.858 -10.665 1.00 0.00 C ATOM 504 O THR A 36 10.955 13.808 -10.024 1.00 0.00 O ATOM 505 CB THR A 36 10.803 10.796 -9.291 1.00 0.00 C ATOM 506 OG1 THR A 36 11.440 9.975 -10.276 1.00 0.00 O ATOM 507 CG2 THR A 36 10.138 9.916 -8.243 1.00 0.00 C ATOM 0 H THR A 36 9.418 10.625 -11.714 1.00 0.00 H new ATOM 0 HA THR A 36 9.112 12.134 -9.199 1.00 0.00 H new ATOM 0 HB THR A 36 11.551 11.418 -8.799 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.096 9.391 -9.841 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.886 9.271 -7.782 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.679 10.544 -7.479 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.372 9.302 -8.716 1.00 0.00 H new ATOM 515 N ARG A 37 10.623 12.754 -11.985 1.00 0.00 N ATOM 516 CA ARG A 37 11.304 13.774 -12.773 1.00 0.00 C ATOM 517 C ARG A 37 10.771 15.164 -12.441 1.00 0.00 C ATOM 518 O ARG A 37 11.539 16.112 -12.277 1.00 0.00 O ATOM 519 CB ARG A 37 11.132 13.493 -14.267 1.00 0.00 C ATOM 520 CG ARG A 37 9.692 13.229 -14.676 1.00 0.00 C ATOM 521 CD ARG A 37 9.586 12.889 -16.154 1.00 0.00 C ATOM 522 NE ARG A 37 8.226 12.515 -16.533 1.00 0.00 N ATOM 523 CZ ARG A 37 7.908 12.000 -17.715 1.00 0.00 C ATOM 524 NH1 ARG A 37 8.848 11.799 -18.629 1.00 0.00 N ATOM 525 NH2 ARG A 37 6.648 11.684 -17.986 1.00 0.00 N ATOM 0 H ARG A 37 10.255 11.974 -12.531 1.00 0.00 H new ATOM 0 HA ARG A 37 12.365 13.742 -12.524 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.512 14.343 -14.834 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.742 12.631 -14.538 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.289 12.408 -14.083 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.084 14.107 -14.459 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.905 13.746 -16.747 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.266 12.069 -16.387 1.00 0.00 H new ATOM 0 HE ARG A 37 7.480 12.657 -15.853 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.818 12.040 -18.425 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.601 11.403 -19.536 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.922 11.837 -17.286 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.405 11.289 -18.894 1.00 0.00 H new ATOM 539 N ASP A 38 9.451 15.278 -12.345 1.00 0.00 N ATOM 540 CA ASP A 38 8.814 16.552 -12.032 1.00 0.00 C ATOM 541 C ASP A 38 8.994 16.902 -10.558 1.00 0.00 C ATOM 542 O ASP A 38 8.834 18.056 -10.160 1.00 0.00 O ATOM 543 CB ASP A 38 7.325 16.501 -12.379 1.00 0.00 C ATOM 544 CG ASP A 38 7.052 16.889 -13.819 1.00 0.00 C ATOM 545 OD1 ASP A 38 7.593 16.222 -14.725 1.00 0.00 O ATOM 546 OD2 ASP A 38 6.298 17.860 -14.039 1.00 0.00 O ATOM 0 H ASP A 38 8.801 14.503 -12.479 1.00 0.00 H new ATOM 0 HA ASP A 38 9.292 17.326 -12.632 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.947 15.494 -12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.777 17.170 -11.715 1.00 0.00 H new ATOM 551 N ALA A 39 9.326 15.899 -9.753 1.00 0.00 N ATOM 552 CA ALA A 39 9.529 16.101 -8.324 1.00 0.00 C ATOM 553 C ALA A 39 10.907 16.691 -8.043 1.00 0.00 C ATOM 554 O ALA A 39 11.046 17.614 -7.242 1.00 0.00 O ATOM 555 CB ALA A 39 9.352 14.788 -7.575 1.00 0.00 C ATOM 0 H ALA A 39 9.460 14.938 -10.066 1.00 0.00 H new ATOM 0 HA ALA A 39 8.780 16.811 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.506 14.954 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.344 14.408 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.079 14.061 -7.938 1.00 0.00 H new ATOM 561 N GLY A 40 11.924 16.150 -8.708 1.00 0.00 N ATOM 562 CA GLY A 40 13.278 16.636 -8.514 1.00 0.00 C ATOM 563 C GLY A 40 14.258 15.518 -8.220 1.00 0.00 C ATOM 564 O GLY A 40 14.514 14.667 -9.073 1.00 0.00 O ATOM 0 H GLY A 40 11.834 15.385 -9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.600 17.172 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.290 17.351 -7.691 1.00 0.00 H new ATOM 568 N TYR A 41 14.809 15.519 -7.012 1.00 0.00 N ATOM 569 CA TYR A 41 15.770 14.500 -6.609 1.00 0.00 C ATOM 570 C TYR A 41 15.545 14.081 -5.159 1.00 0.00 C ATOM 571 O TYR A 41 14.870 14.773 -4.399 1.00 0.00 O ATOM 572 CB TYR A 41 17.199 15.017 -6.785 1.00 0.00 C ATOM 573 CG TYR A 41 18.243 13.923 -6.794 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.489 13.180 -7.942 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.982 13.633 -5.654 1.00 0.00 C ATOM 576 CE1 TYR A 41 19.441 12.179 -7.954 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.937 12.635 -5.658 1.00 0.00 C ATOM 578 CZ TYR A 41 20.163 11.910 -6.810 1.00 0.00 C ATOM 579 OH TYR A 41 21.112 10.915 -6.817 1.00 0.00 O ATOM 0 H TYR A 41 14.606 16.215 -6.294 1.00 0.00 H new ATOM 0 HA TYR A 41 15.625 13.629 -7.247 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.262 15.575 -7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.425 15.716 -5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.927 13.389 -8.840 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.807 14.197 -4.750 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.619 11.610 -8.855 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.504 12.423 -4.764 1.00 0.00 H new ATOM 0 HH TYR A 41 21.530 10.855 -5.933 1.00 0.00 H new ATOM 589 N GLY A 42 16.116 12.940 -4.784 1.00 0.00 N ATOM 590 CA GLY A 42 15.967 12.447 -3.427 1.00 0.00 C ATOM 591 C GLY A 42 16.048 10.936 -3.347 1.00 0.00 C ATOM 592 O GLY A 42 15.817 10.242 -4.336 1.00 0.00 O ATOM 0 H GLY A 42 16.679 12.349 -5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.743 12.883 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.009 12.778 -3.027 1.00 0.00 H new ATOM 596 N GLY A 43 16.380 10.424 -2.165 1.00 0.00 N ATOM 597 CA GLY A 43 16.487 8.988 -1.982 1.00 0.00 C ATOM 598 C GLY A 43 15.140 8.295 -2.035 1.00 0.00 C ATOM 599 O GLY A 43 14.228 8.640 -1.283 1.00 0.00 O ATOM 0 H GLY A 43 16.577 10.978 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.136 8.574 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.961 8.781 -1.022 1.00 0.00 H new ATOM 603 N ILE A 44 15.014 7.317 -2.925 1.00 0.00 N ATOM 604 CA ILE A 44 13.768 6.575 -3.072 1.00 0.00 C ATOM 605 C ILE A 44 13.764 5.328 -2.195 1.00 0.00 C ATOM 606 O ILE A 44 14.702 4.531 -2.227 1.00 0.00 O ATOM 607 CB ILE A 44 13.530 6.160 -4.536 1.00 0.00 C ATOM 608 CG1 ILE A 44 13.435 7.397 -5.431 1.00 0.00 C ATOM 609 CG2 ILE A 44 12.266 5.319 -4.649 1.00 0.00 C ATOM 610 CD1 ILE A 44 13.071 7.080 -6.864 1.00 0.00 C ATOM 0 H ILE A 44 15.759 7.020 -3.555 1.00 0.00 H new ATOM 0 HA ILE A 44 12.965 7.241 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 44 14.375 5.558 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.691 8.078 -5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.391 7.921 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.111 5.033 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.370 4.422 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.411 5.898 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 44 13.022 8.004 -7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.827 6.424 -7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.101 6.583 -6.892 1.00 0.00 H new ATOM 622 N SER A 45 12.702 5.164 -1.412 1.00 0.00 N ATOM 623 CA SER A 45 12.576 4.015 -0.524 1.00 0.00 C ATOM 624 C SER A 45 11.284 3.252 -0.802 1.00 0.00 C ATOM 625 O SER A 45 10.187 3.766 -0.582 1.00 0.00 O ATOM 626 CB SER A 45 12.611 4.466 0.937 1.00 0.00 C ATOM 627 OG SER A 45 12.826 3.367 1.806 1.00 0.00 O ATOM 0 H SER A 45 11.916 5.813 -1.375 1.00 0.00 H new ATOM 0 HA SER A 45 13.418 3.349 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.403 5.202 1.074 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.672 4.957 1.192 1.00 0.00 H new ATOM 0 HG SER A 45 12.846 3.682 2.734 1.00 0.00 H new ATOM 633 N LEU A 46 11.423 2.023 -1.287 1.00 0.00 N ATOM 634 CA LEU A 46 10.268 1.188 -1.595 1.00 0.00 C ATOM 635 C LEU A 46 10.289 -0.096 -0.773 1.00 0.00 C ATOM 636 O LEU A 46 11.339 -0.711 -0.590 1.00 0.00 O ATOM 637 CB LEU A 46 10.241 0.851 -3.087 1.00 0.00 C ATOM 638 CG LEU A 46 10.243 2.043 -4.045 1.00 0.00 C ATOM 639 CD1 LEU A 46 10.609 1.597 -5.452 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.888 2.735 -4.038 1.00 0.00 C ATOM 0 H LEU A 46 12.324 1.583 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 46 9.368 1.747 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.105 0.227 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.353 0.251 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 46 10.994 2.756 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.605 2.459 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.602 1.148 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.882 0.864 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.908 3.581 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.118 2.030 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.666 3.090 -3.032 1.00 0.00 H new ATOM 652 N ALA A 47 9.121 -0.497 -0.280 1.00 0.00 N ATOM 653 CA ALA A 47 9.006 -1.711 0.519 1.00 0.00 C ATOM 654 C ALA A 47 7.555 -2.172 0.609 1.00 0.00 C ATOM 655 O ALA A 47 6.682 -1.426 1.054 1.00 0.00 O ATOM 656 CB ALA A 47 9.576 -1.482 1.911 1.00 0.00 C ATOM 0 H ALA A 47 8.242 0.001 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 47 9.580 -2.496 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.484 -2.396 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.628 -1.206 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.026 -0.679 2.402 1.00 0.00 H new ATOM 662 N VAL A 48 7.303 -3.406 0.183 1.00 0.00 N ATOM 663 CA VAL A 48 5.958 -3.967 0.217 1.00 0.00 C ATOM 664 C VAL A 48 5.821 -5.000 1.330 1.00 0.00 C ATOM 665 O VAL A 48 6.668 -5.879 1.481 1.00 0.00 O ATOM 666 CB VAL A 48 5.591 -4.624 -1.127 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.380 -5.531 -0.965 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.335 -3.563 -2.186 1.00 0.00 C ATOM 0 H VAL A 48 8.013 -4.036 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 48 5.274 -3.140 0.408 1.00 0.00 H new ATOM 0 HB VAL A 48 6.432 -5.236 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.135 -5.986 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.605 -6.313 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.531 -4.945 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.077 -4.045 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.512 -2.923 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.233 -2.959 -2.321 1.00 0.00 H new ATOM 678 N GLU A 49 4.747 -4.886 2.105 1.00 0.00 N ATOM 679 CA GLU A 49 4.499 -5.811 3.205 1.00 0.00 C ATOM 680 C GLU A 49 3.104 -6.419 3.101 1.00 0.00 C ATOM 681 O GLU A 49 2.107 -5.703 3.020 1.00 0.00 O ATOM 682 CB GLU A 49 4.656 -5.095 4.548 1.00 0.00 C ATOM 683 CG GLU A 49 6.014 -4.439 4.733 1.00 0.00 C ATOM 684 CD GLU A 49 6.068 -3.544 5.956 1.00 0.00 C ATOM 685 OE1 GLU A 49 5.962 -4.073 7.083 1.00 0.00 O ATOM 686 OE2 GLU A 49 6.217 -2.316 5.788 1.00 0.00 O ATOM 0 H GLU A 49 4.036 -4.164 1.992 1.00 0.00 H new ATOM 0 HA GLU A 49 5.232 -6.615 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.880 -4.335 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.495 -5.812 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.778 -5.212 4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.253 -3.851 3.847 1.00 0.00 H new ATOM 693 N GLY A 50 3.041 -7.748 3.103 1.00 0.00 N ATOM 694 CA GLY A 50 1.765 -8.431 3.007 1.00 0.00 C ATOM 695 C GLY A 50 1.780 -9.786 3.685 1.00 0.00 C ATOM 696 O GLY A 50 2.594 -10.053 4.569 1.00 0.00 O ATOM 0 H GLY A 50 3.852 -8.363 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.990 -7.811 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.502 -8.557 1.957 1.00 0.00 H new ATOM 700 N PRO A 51 0.862 -10.671 3.268 1.00 0.00 N ATOM 701 CA PRO A 51 0.752 -12.021 3.829 1.00 0.00 C ATOM 702 C PRO A 51 1.928 -12.909 3.436 1.00 0.00 C ATOM 703 O PRO A 51 2.112 -13.992 3.992 1.00 0.00 O ATOM 704 CB PRO A 51 -0.547 -12.553 3.219 1.00 0.00 C ATOM 705 CG PRO A 51 -0.714 -11.785 1.953 1.00 0.00 C ATOM 706 CD PRO A 51 -0.140 -10.421 2.218 1.00 0.00 C ATOM 0 HA PRO A 51 0.755 -12.012 4.919 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.484 -13.624 3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.392 -12.398 3.890 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.195 -12.274 1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.765 -11.718 1.673 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.313 -9.995 1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.906 -9.721 2.552 1.00 0.00 H new ATOM 714 N SER A 52 2.720 -12.444 2.476 1.00 0.00 N ATOM 715 CA SER A 52 3.877 -13.198 2.007 1.00 0.00 C ATOM 716 C SER A 52 5.018 -12.260 1.626 1.00 0.00 C ATOM 717 O SER A 52 4.876 -11.038 1.673 1.00 0.00 O ATOM 718 CB SER A 52 3.493 -14.067 0.809 1.00 0.00 C ATOM 719 OG SER A 52 2.637 -13.367 -0.077 1.00 0.00 O ATOM 0 H SER A 52 2.582 -11.549 2.007 1.00 0.00 H new ATOM 0 HA SER A 52 4.215 -13.841 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.393 -14.379 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.998 -14.973 1.157 1.00 0.00 H new ATOM 0 HG SER A 52 3.000 -13.412 -0.986 1.00 0.00 H new ATOM 725 N LYS A 53 6.152 -12.842 1.247 1.00 0.00 N ATOM 726 CA LYS A 53 7.319 -12.061 0.855 1.00 0.00 C ATOM 727 C LYS A 53 7.351 -11.851 -0.655 1.00 0.00 C ATOM 728 O LYS A 53 7.124 -12.783 -1.427 1.00 0.00 O ATOM 729 CB LYS A 53 8.602 -12.760 1.311 1.00 0.00 C ATOM 730 CG LYS A 53 9.745 -11.803 1.603 1.00 0.00 C ATOM 731 CD LYS A 53 9.581 -11.137 2.959 1.00 0.00 C ATOM 732 CE LYS A 53 10.215 -11.964 4.067 1.00 0.00 C ATOM 733 NZ LYS A 53 9.268 -12.973 4.616 1.00 0.00 N ATOM 0 H LYS A 53 6.287 -13.852 1.203 1.00 0.00 H new ATOM 0 HA LYS A 53 7.252 -11.086 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.389 -13.343 2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.916 -13.464 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.691 -12.344 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.790 -11.041 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.036 -10.147 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.521 -10.996 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.101 -12.469 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.547 -11.304 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.490 -13.149 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.295 -12.616 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.357 -13.860 4.080 1.00 0.00 H new ATOM 747 N VAL A 54 7.636 -10.621 -1.071 1.00 0.00 N ATOM 748 CA VAL A 54 7.701 -10.289 -2.490 1.00 0.00 C ATOM 749 C VAL A 54 9.035 -9.642 -2.842 1.00 0.00 C ATOM 750 O VAL A 54 9.547 -8.806 -2.097 1.00 0.00 O ATOM 751 CB VAL A 54 6.558 -9.340 -2.897 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.292 -10.127 -3.198 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.309 -8.309 -1.806 1.00 0.00 C ATOM 0 H VAL A 54 7.826 -9.838 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 54 7.599 -11.225 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 54 6.852 -8.812 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.496 -9.440 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.482 -10.823 -4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.990 -10.684 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.498 -7.646 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.035 -8.817 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.215 -7.724 -1.645 1.00 0.00 H new ATOM 763 N ASP A 55 9.592 -10.032 -3.983 1.00 0.00 N ATOM 764 CA ASP A 55 10.867 -9.488 -4.437 1.00 0.00 C ATOM 765 C ASP A 55 10.668 -8.147 -5.136 1.00 0.00 C ATOM 766 O ASP A 55 10.049 -8.076 -6.198 1.00 0.00 O ATOM 767 CB ASP A 55 11.559 -10.472 -5.381 1.00 0.00 C ATOM 768 CG ASP A 55 10.682 -10.862 -6.555 1.00 0.00 C ATOM 769 OD1 ASP A 55 9.485 -11.144 -6.333 1.00 0.00 O ATOM 770 OD2 ASP A 55 11.191 -10.885 -7.694 1.00 0.00 O ATOM 0 H ASP A 55 9.181 -10.723 -4.611 1.00 0.00 H new ATOM 0 HA ASP A 55 11.499 -9.331 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.482 -10.027 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.838 -11.368 -4.826 1.00 0.00 H new ATOM 775 N ILE A 56 11.195 -7.087 -4.533 1.00 0.00 N ATOM 776 CA ILE A 56 11.075 -5.749 -5.099 1.00 0.00 C ATOM 777 C ILE A 56 12.206 -5.464 -6.081 1.00 0.00 C ATOM 778 O ILE A 56 13.380 -5.485 -5.713 1.00 0.00 O ATOM 779 CB ILE A 56 11.081 -4.670 -3.999 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.869 -4.840 -3.081 1.00 0.00 C ATOM 781 CG2 ILE A 56 11.092 -3.281 -4.620 1.00 0.00 C ATOM 782 CD1 ILE A 56 8.635 -4.114 -3.570 1.00 0.00 C ATOM 0 H ILE A 56 11.709 -7.129 -3.653 1.00 0.00 H new ATOM 0 HA ILE A 56 10.122 -5.714 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 56 11.985 -4.786 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.642 -5.902 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.124 -4.477 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.096 -2.529 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.984 -3.165 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.204 -3.152 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.815 -4.278 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.844 -3.047 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.355 -4.493 -4.553 1.00 0.00 H new ATOM 794 N GLN A 57 11.843 -5.196 -7.331 1.00 0.00 N ATOM 795 CA GLN A 57 12.828 -4.905 -8.367 1.00 0.00 C ATOM 796 C GLN A 57 12.584 -3.529 -8.978 1.00 0.00 C ATOM 797 O GLN A 57 11.500 -3.247 -9.489 1.00 0.00 O ATOM 798 CB GLN A 57 12.783 -5.976 -9.458 1.00 0.00 C ATOM 799 CG GLN A 57 13.460 -7.278 -9.060 1.00 0.00 C ATOM 800 CD GLN A 57 13.403 -8.324 -10.156 1.00 0.00 C ATOM 801 OE1 GLN A 57 13.924 -8.119 -11.253 1.00 0.00 O ATOM 802 NE2 GLN A 57 12.768 -9.453 -9.864 1.00 0.00 N ATOM 0 H GLN A 57 10.875 -5.174 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 57 13.816 -4.908 -7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.743 -6.180 -9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.261 -5.587 -10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.501 -7.079 -8.807 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.983 -7.671 -8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.351 -9.580 -8.942 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.697 -10.193 -10.562 1.00 0.00 H new ATOM 811 N THR A 58 13.601 -2.674 -8.923 1.00 0.00 N ATOM 812 CA THR A 58 13.497 -1.327 -9.469 1.00 0.00 C ATOM 813 C THR A 58 14.438 -1.140 -10.654 1.00 0.00 C ATOM 814 O THR A 58 15.350 -1.939 -10.865 1.00 0.00 O ATOM 815 CB THR A 58 13.815 -0.262 -8.403 1.00 0.00 C ATOM 816 OG1 THR A 58 15.199 -0.328 -8.042 1.00 0.00 O ATOM 817 CG2 THR A 58 12.953 -0.461 -7.166 1.00 0.00 C ATOM 0 H THR A 58 14.506 -2.891 -8.506 1.00 0.00 H new ATOM 0 HA THR A 58 12.467 -1.200 -9.802 1.00 0.00 H new ATOM 0 HB THR A 58 13.597 0.719 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.393 0.353 -7.365 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.195 0.303 -6.427 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.901 -0.381 -7.439 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.144 -1.448 -6.744 1.00 0.00 H new ATOM 825 N GLU A 59 14.211 -0.080 -11.423 1.00 0.00 N ATOM 826 CA GLU A 59 15.041 0.210 -12.587 1.00 0.00 C ATOM 827 C GLU A 59 14.916 1.676 -12.992 1.00 0.00 C ATOM 828 O GLU A 59 13.847 2.276 -12.873 1.00 0.00 O ATOM 829 CB GLU A 59 14.645 -0.689 -13.760 1.00 0.00 C ATOM 830 CG GLU A 59 15.208 -0.231 -15.095 1.00 0.00 C ATOM 831 CD GLU A 59 14.507 1.001 -15.632 1.00 0.00 C ATOM 832 OE1 GLU A 59 13.430 1.349 -15.105 1.00 0.00 O ATOM 833 OE2 GLU A 59 15.036 1.618 -16.580 1.00 0.00 O ATOM 0 H GLU A 59 13.460 0.592 -11.262 1.00 0.00 H new ATOM 0 HA GLU A 59 16.079 0.011 -12.320 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.987 -1.704 -13.560 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.558 -0.726 -13.827 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.271 -0.020 -14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.118 -1.040 -15.820 1.00 0.00 H new ATOM 840 N ASP A 60 16.017 2.248 -13.469 1.00 0.00 N ATOM 841 CA ASP A 60 16.032 3.643 -13.892 1.00 0.00 C ATOM 842 C ASP A 60 15.711 3.764 -15.378 1.00 0.00 C ATOM 843 O ASP A 60 16.550 3.474 -16.231 1.00 0.00 O ATOM 844 CB ASP A 60 17.395 4.272 -13.599 1.00 0.00 C ATOM 845 CG ASP A 60 17.633 5.537 -14.399 1.00 0.00 C ATOM 846 OD1 ASP A 60 17.886 5.430 -15.617 1.00 0.00 O ATOM 847 OD2 ASP A 60 17.566 6.635 -13.807 1.00 0.00 O ATOM 0 H ASP A 60 16.910 1.767 -13.572 1.00 0.00 H new ATOM 0 HA ASP A 60 15.266 4.176 -13.329 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.466 4.500 -12.535 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.181 3.551 -13.823 1.00 0.00 H new ATOM 852 N LEU A 61 14.490 4.193 -15.681 1.00 0.00 N ATOM 853 CA LEU A 61 14.057 4.351 -17.065 1.00 0.00 C ATOM 854 C LEU A 61 14.705 5.576 -17.702 1.00 0.00 C ATOM 855 O LEU A 61 15.527 6.248 -17.080 1.00 0.00 O ATOM 856 CB LEU A 61 12.533 4.474 -17.132 1.00 0.00 C ATOM 857 CG LEU A 61 11.742 3.218 -16.768 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.248 3.500 -16.798 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.090 2.076 -17.711 1.00 0.00 C ATOM 0 H LEU A 61 13.783 4.437 -14.987 1.00 0.00 H new ATOM 0 HA LEU A 61 14.370 3.467 -17.621 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.224 5.280 -16.466 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.257 4.773 -18.143 1.00 0.00 H new ATOM 0 HG LEU A 61 12.015 2.922 -15.755 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.701 2.594 -16.536 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.012 4.286 -16.081 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.959 3.822 -17.798 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.517 1.190 -17.437 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.847 2.362 -18.734 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.155 1.856 -17.639 1.00 0.00 H new ATOM 871 N GLU A 62 14.328 5.860 -18.944 1.00 0.00 N ATOM 872 CA GLU A 62 14.873 7.005 -19.664 1.00 0.00 C ATOM 873 C GLU A 62 14.099 8.277 -19.330 1.00 0.00 C ATOM 874 O GLU A 62 14.652 9.377 -19.352 1.00 0.00 O ATOM 875 CB GLU A 62 14.834 6.753 -21.173 1.00 0.00 C ATOM 876 CG GLU A 62 13.427 6.616 -21.731 1.00 0.00 C ATOM 877 CD GLU A 62 13.415 6.336 -23.221 1.00 0.00 C ATOM 878 OE1 GLU A 62 13.959 5.290 -23.634 1.00 0.00 O ATOM 879 OE2 GLU A 62 12.861 7.164 -23.975 1.00 0.00 O ATOM 0 H GLU A 62 13.648 5.314 -19.473 1.00 0.00 H new ATOM 0 HA GLU A 62 15.909 7.138 -19.352 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.340 7.573 -21.683 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.394 5.845 -21.396 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.910 5.810 -21.210 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.871 7.532 -21.533 1.00 0.00 H new ATOM 886 N ASP A 63 12.817 8.118 -19.022 1.00 0.00 N ATOM 887 CA ASP A 63 11.965 9.252 -18.683 1.00 0.00 C ATOM 888 C ASP A 63 12.374 9.857 -17.343 1.00 0.00 C ATOM 889 O ASP A 63 12.089 11.020 -17.063 1.00 0.00 O ATOM 890 CB ASP A 63 10.499 8.820 -18.635 1.00 0.00 C ATOM 891 CG ASP A 63 10.129 7.897 -19.779 1.00 0.00 C ATOM 892 OD1 ASP A 63 10.430 6.689 -19.688 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.540 8.384 -20.768 1.00 0.00 O ATOM 0 H ASP A 63 12.344 7.214 -19.000 1.00 0.00 H new ATOM 0 HA ASP A 63 12.087 10.010 -19.457 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.302 8.317 -17.688 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.862 9.704 -18.665 1.00 0.00 H new ATOM 898 N GLY A 64 13.044 9.057 -16.518 1.00 0.00 N ATOM 899 CA GLY A 64 13.480 9.531 -15.218 1.00 0.00 C ATOM 900 C GLY A 64 12.591 9.038 -14.093 1.00 0.00 C ATOM 901 O GLY A 64 12.656 9.543 -12.972 1.00 0.00 O ATOM 0 H GLY A 64 13.292 8.090 -16.727 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.504 9.202 -15.039 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.491 10.621 -15.217 1.00 0.00 H new ATOM 905 N THR A 65 11.756 8.047 -14.392 1.00 0.00 N ATOM 906 CA THR A 65 10.848 7.488 -13.399 1.00 0.00 C ATOM 907 C THR A 65 11.365 6.155 -12.870 1.00 0.00 C ATOM 908 O THR A 65 12.320 5.592 -13.407 1.00 0.00 O ATOM 909 CB THR A 65 9.436 7.283 -13.980 1.00 0.00 C ATOM 910 OG1 THR A 65 9.470 6.288 -15.010 1.00 0.00 O ATOM 911 CG2 THR A 65 8.889 8.586 -14.544 1.00 0.00 C ATOM 0 H THR A 65 11.690 7.616 -15.314 1.00 0.00 H new ATOM 0 HA THR A 65 10.795 8.206 -12.580 1.00 0.00 H new ATOM 0 HB THR A 65 8.780 6.950 -13.175 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.679 6.381 -15.581 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.891 8.417 -14.949 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.837 9.332 -13.751 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.546 8.944 -15.337 1.00 0.00 H new ATOM 919 N CYS A 66 10.730 5.655 -11.816 1.00 0.00 N ATOM 920 CA CYS A 66 11.127 4.387 -11.214 1.00 0.00 C ATOM 921 C CYS A 66 10.055 3.323 -11.431 1.00 0.00 C ATOM 922 O CYS A 66 8.931 3.451 -10.946 1.00 0.00 O ATOM 923 CB CYS A 66 11.387 4.568 -9.718 1.00 0.00 C ATOM 924 SG CYS A 66 11.936 3.064 -8.877 1.00 0.00 S ATOM 0 H CYS A 66 9.938 6.108 -11.360 1.00 0.00 H new ATOM 0 HA CYS A 66 12.046 4.055 -11.698 1.00 0.00 H new ATOM 0 HB2 CYS A 66 12.141 5.343 -9.582 1.00 0.00 H new ATOM 0 HB3 CYS A 66 10.474 4.925 -9.242 1.00 0.00 H new ATOM 0 HG CYS A 66 12.132 3.318 -7.617 1.00 0.00 H new ATOM 930 N LYS A 67 10.411 2.274 -12.165 1.00 0.00 N ATOM 931 CA LYS A 67 9.481 1.187 -12.447 1.00 0.00 C ATOM 932 C LYS A 67 9.672 0.037 -11.464 1.00 0.00 C ATOM 933 O LYS A 67 10.638 -0.721 -11.559 1.00 0.00 O ATOM 934 CB LYS A 67 9.673 0.684 -13.880 1.00 0.00 C ATOM 935 CG LYS A 67 8.970 -0.632 -14.162 1.00 0.00 C ATOM 936 CD LYS A 67 9.460 -1.261 -15.455 1.00 0.00 C ATOM 937 CE LYS A 67 8.634 -0.801 -16.647 1.00 0.00 C ATOM 938 NZ LYS A 67 9.094 -1.429 -17.916 1.00 0.00 N ATOM 0 H LYS A 67 11.337 2.154 -12.575 1.00 0.00 H new ATOM 0 HA LYS A 67 8.467 1.572 -12.335 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.304 1.439 -14.574 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.739 0.566 -14.075 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.140 -1.321 -13.334 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.895 -0.465 -14.222 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.506 -1.000 -15.614 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.411 -2.347 -15.374 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.586 -1.047 -16.479 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.696 0.284 -16.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.506 -1.090 -18.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.087 -1.173 -18.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.011 -2.463 -17.842 1.00 0.00 H new ATOM 952 N VAL A 68 8.746 -0.087 -10.518 1.00 0.00 N ATOM 953 CA VAL A 68 8.812 -1.146 -9.519 1.00 0.00 C ATOM 954 C VAL A 68 8.148 -2.422 -10.025 1.00 0.00 C ATOM 955 O VAL A 68 7.154 -2.371 -10.749 1.00 0.00 O ATOM 956 CB VAL A 68 8.138 -0.718 -8.202 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.437 -1.720 -7.098 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.590 0.679 -7.802 1.00 0.00 C ATOM 0 H VAL A 68 7.942 0.533 -10.423 1.00 0.00 H new ATOM 0 HA VAL A 68 9.868 -1.339 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 68 7.059 -0.696 -8.357 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.952 -1.400 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.059 -2.701 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.514 -1.778 -6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.104 0.966 -6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.671 0.686 -7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.319 1.387 -8.585 1.00 0.00 H new ATOM 968 N SER A 69 8.704 -3.566 -9.638 1.00 0.00 N ATOM 969 CA SER A 69 8.167 -4.856 -10.055 1.00 0.00 C ATOM 970 C SER A 69 8.225 -5.864 -8.911 1.00 0.00 C ATOM 971 O SER A 69 9.270 -6.051 -8.287 1.00 0.00 O ATOM 972 CB SER A 69 8.944 -5.389 -11.260 1.00 0.00 C ATOM 973 OG SER A 69 8.966 -4.441 -12.313 1.00 0.00 O ATOM 0 H SER A 69 9.526 -3.626 -9.037 1.00 0.00 H new ATOM 0 HA SER A 69 7.124 -4.714 -10.338 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.964 -5.629 -10.961 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.488 -6.315 -11.610 1.00 0.00 H new ATOM 0 HG SER A 69 9.470 -4.805 -13.071 1.00 0.00 H new ATOM 979 N TYR A 70 7.096 -6.510 -8.643 1.00 0.00 N ATOM 980 CA TYR A 70 7.017 -7.498 -7.573 1.00 0.00 C ATOM 981 C TYR A 70 6.161 -8.689 -7.994 1.00 0.00 C ATOM 982 O TYR A 70 5.294 -8.571 -8.860 1.00 0.00 O ATOM 983 CB TYR A 70 6.439 -6.863 -6.307 1.00 0.00 C ATOM 984 CG TYR A 70 4.961 -6.560 -6.401 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.509 -5.398 -7.015 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.017 -7.434 -5.876 1.00 0.00 C ATOM 987 CE1 TYR A 70 3.159 -5.116 -7.103 1.00 0.00 C ATOM 988 CE2 TYR A 70 2.666 -7.161 -5.961 1.00 0.00 C ATOM 989 CZ TYR A 70 2.242 -6.001 -6.575 1.00 0.00 C ATOM 990 OH TYR A 70 0.896 -5.724 -6.660 1.00 0.00 O ATOM 0 H TYR A 70 6.223 -6.368 -9.151 1.00 0.00 H new ATOM 0 HA TYR A 70 8.026 -7.854 -7.365 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.611 -7.532 -5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.978 -5.939 -6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.225 -4.704 -7.430 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.346 -8.342 -5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.824 -4.208 -7.582 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.945 -7.852 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 70 0.721 -5.195 -7.466 1.00 0.00 H new ATOM 1000 N PHE A 71 6.412 -9.837 -7.374 1.00 0.00 N ATOM 1001 CA PHE A 71 5.666 -11.052 -7.683 1.00 0.00 C ATOM 1002 C PHE A 71 5.127 -11.698 -6.410 1.00 0.00 C ATOM 1003 O PHE A 71 5.837 -12.405 -5.694 1.00 0.00 O ATOM 1004 CB PHE A 71 6.555 -12.044 -8.435 1.00 0.00 C ATOM 1005 CG PHE A 71 5.786 -13.136 -9.121 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.096 -12.883 -10.296 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.754 -14.417 -8.593 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.387 -13.887 -10.929 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.047 -15.424 -9.222 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.363 -15.159 -10.392 1.00 0.00 C ATOM 0 H PHE A 71 7.126 -9.952 -6.655 1.00 0.00 H new ATOM 0 HA PHE A 71 4.822 -10.779 -8.316 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.143 -11.503 -9.177 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.260 -12.492 -7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.112 -11.891 -10.722 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.288 -14.631 -7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.852 -13.677 -11.843 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.029 -16.418 -8.799 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.811 -15.945 -10.886 1.00 0.00 H new ATOM 1020 N PRO A 72 3.841 -11.449 -6.119 1.00 0.00 N ATOM 1021 CA PRO A 72 3.178 -11.997 -4.932 1.00 0.00 C ATOM 1022 C PRO A 72 2.967 -13.504 -5.029 1.00 0.00 C ATOM 1023 O PRO A 72 3.010 -14.079 -6.117 1.00 0.00 O ATOM 1024 CB PRO A 72 1.832 -11.269 -4.910 1.00 0.00 C ATOM 1025 CG PRO A 72 1.584 -10.889 -6.329 1.00 0.00 C ATOM 1026 CD PRO A 72 2.936 -10.616 -6.927 1.00 0.00 C ATOM 0 HA PRO A 72 3.772 -11.851 -4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.040 -11.913 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.867 -10.391 -4.265 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.075 -11.691 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.945 -10.008 -6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.972 -10.890 -7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.198 -9.560 -6.863 1.00 0.00 H new ATOM 1034 N THR A 73 2.738 -14.140 -3.885 1.00 0.00 N ATOM 1035 CA THR A 73 2.520 -15.581 -3.841 1.00 0.00 C ATOM 1036 C THR A 73 1.225 -15.919 -3.113 1.00 0.00 C ATOM 1037 O THR A 73 0.544 -16.887 -3.454 1.00 0.00 O ATOM 1038 CB THR A 73 3.690 -16.304 -3.147 1.00 0.00 C ATOM 1039 OG1 THR A 73 3.981 -15.676 -1.894 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.931 -16.293 -4.026 1.00 0.00 C ATOM 0 H THR A 73 2.699 -13.680 -2.976 1.00 0.00 H new ATOM 0 HA THR A 73 2.452 -15.923 -4.874 1.00 0.00 H new ATOM 0 HB THR A 73 3.396 -17.339 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.725 -16.143 -1.459 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.744 -16.809 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.715 -16.799 -4.967 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.225 -15.263 -4.227 1.00 0.00 H new ATOM 1048 N VAL A 74 0.888 -15.116 -2.109 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.328 -15.330 -1.333 1.00 0.00 C ATOM 1050 C VAL A 74 -1.281 -14.148 -1.469 1.00 0.00 C ATOM 1051 O VAL A 74 -0.887 -12.986 -1.373 1.00 0.00 O ATOM 1052 CB VAL A 74 -0.011 -15.551 0.158 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -1.295 -15.708 0.959 1.00 0.00 C ATOM 1054 CG2 VAL A 74 0.890 -16.764 0.336 1.00 0.00 C ATOM 0 H VAL A 74 1.440 -14.311 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.805 -16.225 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 74 0.518 -14.675 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.051 -15.863 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.900 -14.808 0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.854 -16.566 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.104 -16.906 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.389 -17.650 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.823 -16.607 -0.205 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.568 -14.449 -1.698 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.606 -13.425 -1.851 1.00 0.00 C ATOM 1066 C PRO A 75 -3.906 -12.704 -0.541 1.00 0.00 C ATOM 1067 O PRO A 75 -3.982 -13.325 0.518 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.827 -14.224 -2.313 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.598 -15.601 -1.793 1.00 0.00 C ATOM 1070 CD PRO A 75 -3.110 -15.813 -1.824 1.00 0.00 C ATOM 0 HA PRO A 75 -3.305 -12.640 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.750 -13.800 -1.918 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.914 -14.221 -3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.986 -15.705 -0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.110 -16.341 -2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.778 -16.454 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.791 -16.288 -2.752 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.075 -11.387 -0.621 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.365 -10.603 0.565 1.00 0.00 C ATOM 1080 C GLY A 76 -4.236 -9.112 0.321 1.00 0.00 C ATOM 1081 O GLY A 76 -4.646 -8.610 -0.726 1.00 0.00 O ATOM 0 H GLY A 76 -4.016 -10.850 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.376 -10.826 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.687 -10.897 1.366 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.667 -8.402 1.289 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.486 -6.960 1.175 1.00 0.00 C ATOM 1087 C VAL A 77 -2.024 -6.573 1.367 1.00 0.00 C ATOM 1088 O VAL A 77 -1.470 -6.721 2.456 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.346 -6.203 2.205 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.018 -4.718 2.186 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.825 -6.434 1.936 1.00 0.00 C ATOM 0 H VAL A 77 -3.323 -8.802 2.162 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.804 -6.679 0.171 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.116 -6.589 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.635 -4.200 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.966 -4.575 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.218 -4.314 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.418 -5.892 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.073 -6.077 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.045 -7.499 2.005 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.405 -6.076 0.302 1.00 0.00 N ATOM 1102 CA TYR A 78 -0.006 -5.668 0.353 1.00 0.00 C ATOM 1103 C TYR A 78 0.116 -4.158 0.529 1.00 0.00 C ATOM 1104 O TYR A 78 -0.588 -3.387 -0.125 1.00 0.00 O ATOM 1105 CB TYR A 78 0.720 -6.104 -0.921 1.00 0.00 C ATOM 1106 CG TYR A 78 0.871 -7.603 -1.049 1.00 0.00 C ATOM 1107 CD1 TYR A 78 -0.152 -8.382 -1.574 1.00 0.00 C ATOM 1108 CD2 TYR A 78 2.037 -8.241 -0.643 1.00 0.00 C ATOM 1109 CE1 TYR A 78 -0.019 -9.752 -1.692 1.00 0.00 C ATOM 1110 CE2 TYR A 78 2.180 -9.610 -0.758 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.149 -10.362 -1.283 1.00 0.00 C ATOM 1112 OH TYR A 78 1.287 -11.726 -1.398 1.00 0.00 O ATOM 0 H TYR A 78 -1.850 -5.946 -0.607 1.00 0.00 H new ATOM 0 HA TYR A 78 0.456 -6.154 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.175 -5.727 -1.787 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.708 -5.645 -0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.068 -7.908 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.846 -7.656 -0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.825 -10.342 -2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.094 -10.089 -0.439 1.00 0.00 H new ATOM 0 HH TYR A 78 1.879 -12.056 -0.690 1.00 0.00 H new ATOM 1122 N ILE A 79 1.013 -3.742 1.415 1.00 0.00 N ATOM 1123 CA ILE A 79 1.229 -2.325 1.677 1.00 0.00 C ATOM 1124 C ILE A 79 2.448 -1.806 0.921 1.00 0.00 C ATOM 1125 O ILE A 79 3.588 -2.056 1.313 1.00 0.00 O ATOM 1126 CB ILE A 79 1.418 -2.052 3.181 1.00 0.00 C ATOM 1127 CG1 ILE A 79 0.169 -2.473 3.958 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.725 -0.581 3.418 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.089 -1.761 3.513 1.00 0.00 C ATOM 0 H ILE A 79 1.603 -4.367 1.964 1.00 0.00 H new ATOM 0 HA ILE A 79 0.338 -1.801 1.330 1.00 0.00 H new ATOM 0 HB ILE A 79 2.262 -2.641 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.027 -3.548 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.329 -2.281 5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.856 -0.404 4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.640 -0.311 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.900 0.027 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.934 -2.109 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.967 -0.687 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.274 -1.973 2.460 1.00 0.00 H new ATOM 1141 N VAL A 80 2.199 -1.079 -0.164 1.00 0.00 N ATOM 1142 CA VAL A 80 3.276 -0.522 -0.974 1.00 0.00 C ATOM 1143 C VAL A 80 3.737 0.823 -0.424 1.00 0.00 C ATOM 1144 O VAL A 80 3.129 1.859 -0.696 1.00 0.00 O ATOM 1145 CB VAL A 80 2.840 -0.342 -2.440 1.00 0.00 C ATOM 1146 CG1 VAL A 80 3.963 0.274 -3.260 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.404 -1.673 -3.033 1.00 0.00 C ATOM 0 H VAL A 80 1.261 -0.862 -0.502 1.00 0.00 H new ATOM 0 HA VAL A 80 4.103 -1.231 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 80 1.989 0.338 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.636 0.393 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.223 1.249 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.836 -0.378 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.099 -1.527 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.235 -2.378 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.565 -2.069 -2.460 1.00 0.00 H new ATOM 1157 N SER A 81 4.817 0.800 0.351 1.00 0.00 N ATOM 1158 CA SER A 81 5.359 2.018 0.943 1.00 0.00 C ATOM 1159 C SER A 81 6.217 2.776 -0.065 1.00 0.00 C ATOM 1160 O SER A 81 7.393 2.465 -0.256 1.00 0.00 O ATOM 1161 CB SER A 81 6.187 1.682 2.185 1.00 0.00 C ATOM 1162 OG SER A 81 5.363 1.570 3.332 1.00 0.00 O ATOM 0 H SER A 81 5.334 -0.048 0.584 1.00 0.00 H new ATOM 0 HA SER A 81 4.523 2.655 1.234 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.724 0.747 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.937 2.456 2.346 1.00 0.00 H new ATOM 0 HG SER A 81 5.916 1.353 4.112 1.00 0.00 H new ATOM 1168 N THR A 82 5.620 3.775 -0.708 1.00 0.00 N ATOM 1169 CA THR A 82 6.328 4.578 -1.697 1.00 0.00 C ATOM 1170 C THR A 82 6.848 5.873 -1.084 1.00 0.00 C ATOM 1171 O THR A 82 6.070 6.731 -0.665 1.00 0.00 O ATOM 1172 CB THR A 82 5.422 4.919 -2.896 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.548 3.820 -3.177 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.254 5.239 -4.128 1.00 0.00 C ATOM 0 H THR A 82 4.648 4.047 -0.561 1.00 0.00 H new ATOM 0 HA THR A 82 7.170 3.980 -2.045 1.00 0.00 H new ATOM 0 HB THR A 82 4.830 5.797 -2.638 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.974 4.045 -3.939 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.593 5.477 -4.962 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.898 6.094 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.868 4.376 -4.386 1.00 0.00 H new ATOM 1182 N LYS A 83 8.168 6.010 -1.033 1.00 0.00 N ATOM 1183 CA LYS A 83 8.794 7.202 -0.473 1.00 0.00 C ATOM 1184 C LYS A 83 9.754 7.835 -1.474 1.00 0.00 C ATOM 1185 O LYS A 83 10.366 7.140 -2.287 1.00 0.00 O ATOM 1186 CB LYS A 83 9.541 6.853 0.816 1.00 0.00 C ATOM 1187 CG LYS A 83 8.661 6.870 2.054 1.00 0.00 C ATOM 1188 CD LYS A 83 9.489 6.922 3.327 1.00 0.00 C ATOM 1189 CE LYS A 83 9.942 5.534 3.754 1.00 0.00 C ATOM 1190 NZ LYS A 83 11.056 5.593 4.740 1.00 0.00 N ATOM 0 H LYS A 83 8.826 5.309 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 83 8.008 7.922 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.987 5.864 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.360 7.559 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.996 7.732 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.030 5.981 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.360 7.558 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.902 7.376 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.100 4.995 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.262 4.971 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.336 4.627 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.869 6.085 4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.743 6.108 5.587 1.00 0.00 H new ATOM 1204 N PHE A 84 9.884 9.156 -1.410 1.00 0.00 N ATOM 1205 CA PHE A 84 10.771 9.882 -2.312 1.00 0.00 C ATOM 1206 C PHE A 84 11.384 11.092 -1.613 1.00 0.00 C ATOM 1207 O PHE A 84 10.713 12.100 -1.391 1.00 0.00 O ATOM 1208 CB PHE A 84 10.008 10.331 -3.560 1.00 0.00 C ATOM 1209 CG PHE A 84 10.780 11.289 -4.421 1.00 0.00 C ATOM 1210 CD1 PHE A 84 11.627 10.823 -5.413 1.00 0.00 C ATOM 1211 CD2 PHE A 84 10.658 12.658 -4.238 1.00 0.00 C ATOM 1212 CE1 PHE A 84 12.337 11.702 -6.208 1.00 0.00 C ATOM 1213 CE2 PHE A 84 11.366 13.542 -5.029 1.00 0.00 C ATOM 1214 CZ PHE A 84 12.208 13.064 -6.015 1.00 0.00 C ATOM 0 H PHE A 84 9.386 9.746 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 84 11.576 9.210 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.746 9.454 -4.151 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.073 10.801 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 84 11.734 9.759 -5.567 1.00 0.00 H new ATOM 0 HD2 PHE A 84 10.002 13.037 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 84 12.992 11.325 -6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 84 11.262 14.606 -4.877 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.764 13.753 -6.633 1.00 0.00 H new ATOM 1224 N ALA A 85 12.663 10.984 -1.269 1.00 0.00 N ATOM 1225 CA ALA A 85 13.367 12.070 -0.598 1.00 0.00 C ATOM 1226 C ALA A 85 12.900 12.217 0.846 1.00 0.00 C ATOM 1227 O ALA A 85 12.637 13.325 1.313 1.00 0.00 O ATOM 1228 CB ALA A 85 13.170 13.375 -1.355 1.00 0.00 C ATOM 0 H ALA A 85 13.233 10.156 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 85 14.430 11.828 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.701 14.177 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.560 13.271 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.107 13.614 -1.398 1.00 0.00 H new ATOM 1234 N ASP A 86 12.798 11.094 1.548 1.00 0.00 N ATOM 1235 CA ASP A 86 12.362 11.098 2.939 1.00 0.00 C ATOM 1236 C ASP A 86 10.964 11.693 3.069 1.00 0.00 C ATOM 1237 O ASP A 86 10.693 12.473 3.981 1.00 0.00 O ATOM 1238 CB ASP A 86 13.348 11.888 3.802 1.00 0.00 C ATOM 1239 CG ASP A 86 14.792 11.613 3.431 1.00 0.00 C ATOM 1240 OD1 ASP A 86 15.240 10.460 3.603 1.00 0.00 O ATOM 1241 OD2 ASP A 86 15.473 12.551 2.967 1.00 0.00 O ATOM 0 H ASP A 86 13.012 10.169 1.176 1.00 0.00 H new ATOM 0 HA ASP A 86 12.331 10.066 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.146 12.954 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.191 11.636 4.851 1.00 0.00 H new ATOM 1246 N GLU A 87 10.079 11.319 2.149 1.00 0.00 N ATOM 1247 CA GLU A 87 8.709 11.818 2.160 1.00 0.00 C ATOM 1248 C GLU A 87 7.782 10.878 1.395 1.00 0.00 C ATOM 1249 O GLU A 87 8.001 10.596 0.216 1.00 0.00 O ATOM 1250 CB GLU A 87 8.648 13.220 1.551 1.00 0.00 C ATOM 1251 CG GLU A 87 9.082 14.319 2.507 1.00 0.00 C ATOM 1252 CD GLU A 87 8.813 15.707 1.961 1.00 0.00 C ATOM 1253 OE1 GLU A 87 9.290 16.009 0.847 1.00 0.00 O ATOM 1254 OE2 GLU A 87 8.126 16.492 2.647 1.00 0.00 O ATOM 0 H GLU A 87 10.287 10.673 1.388 1.00 0.00 H new ATOM 0 HA GLU A 87 8.375 11.866 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.282 13.250 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.629 13.419 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.558 14.198 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.147 14.215 2.715 1.00 0.00 H new ATOM 1261 N HIS A 88 6.745 10.397 2.074 1.00 0.00 N ATOM 1262 CA HIS A 88 5.784 9.489 1.458 1.00 0.00 C ATOM 1263 C HIS A 88 4.887 10.233 0.474 1.00 0.00 C ATOM 1264 O HIS A 88 4.368 11.307 0.781 1.00 0.00 O ATOM 1265 CB HIS A 88 4.932 8.811 2.532 1.00 0.00 C ATOM 1266 CG HIS A 88 5.516 7.529 3.039 1.00 0.00 C ATOM 1267 ND1 HIS A 88 5.096 6.288 2.608 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.494 7.299 3.946 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.790 5.351 3.229 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.645 5.938 4.047 1.00 0.00 N ATOM 0 H HIS A 88 6.549 10.621 3.050 1.00 0.00 H new ATOM 0 HA HIS A 88 6.339 8.727 0.911 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.803 9.498 3.369 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.940 8.613 2.126 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.364 6.120 1.918 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.052 8.047 4.489 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.677 4.286 3.091 1.00 0.00 H new ATOM 1279 N VAL A 89 4.708 9.655 -0.710 1.00 0.00 N ATOM 1280 CA VAL A 89 3.874 10.263 -1.739 1.00 0.00 C ATOM 1281 C VAL A 89 2.540 10.726 -1.163 1.00 0.00 C ATOM 1282 O VAL A 89 2.074 10.231 -0.136 1.00 0.00 O ATOM 1283 CB VAL A 89 3.608 9.284 -2.897 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.798 9.239 -3.843 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.292 7.896 -2.359 1.00 0.00 C ATOM 0 H VAL A 89 5.130 8.766 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 89 4.421 11.125 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 89 2.742 9.638 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.591 8.542 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.974 10.233 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.683 8.910 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.107 7.217 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.137 7.531 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.406 7.944 -1.726 1.00 0.00 H new ATOM 1295 N PRO A 90 1.909 11.698 -1.838 1.00 0.00 N ATOM 1296 CA PRO A 90 0.619 12.249 -1.412 1.00 0.00 C ATOM 1297 C PRO A 90 -0.522 11.252 -1.586 1.00 0.00 C ATOM 1298 O PRO A 90 -1.257 11.301 -2.571 1.00 0.00 O ATOM 1299 CB PRO A 90 0.424 13.452 -2.338 1.00 0.00 C ATOM 1300 CG PRO A 90 1.225 13.130 -3.552 1.00 0.00 C ATOM 1301 CD PRO A 90 2.406 12.334 -3.069 1.00 0.00 C ATOM 0 HA PRO A 90 0.614 12.505 -0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.628 13.595 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.770 14.373 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.635 12.558 -4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.548 14.039 -4.059 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.720 11.594 -3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.267 12.972 -2.872 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.665 10.348 -0.621 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.720 9.353 -0.687 1.00 0.00 C ATOM 1311 C GLY A 91 -1.292 8.016 -0.116 1.00 0.00 C ATOM 1312 O GLY A 91 -2.101 7.097 0.004 1.00 0.00 O ATOM 0 H GLY A 91 -0.069 10.287 0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.592 9.715 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.026 9.220 -1.725 1.00 0.00 H new ATOM 1316 N SER A 92 -0.015 7.907 0.237 1.00 0.00 N ATOM 1317 CA SER A 92 0.521 6.670 0.794 1.00 0.00 C ATOM 1318 C SER A 92 0.101 6.504 2.252 1.00 0.00 C ATOM 1319 O SER A 92 -0.296 7.458 2.922 1.00 0.00 O ATOM 1320 CB SER A 92 2.047 6.656 0.686 1.00 0.00 C ATOM 1321 OG SER A 92 2.467 6.028 -0.512 1.00 0.00 O ATOM 0 H SER A 92 0.667 8.660 0.147 1.00 0.00 H new ATOM 0 HA SER A 92 0.116 5.837 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.426 7.677 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.471 6.132 1.543 1.00 0.00 H new ATOM 0 HG SER A 92 1.758 6.100 -1.185 1.00 0.00 H new ATOM 1327 N PRO A 93 0.191 5.264 2.755 1.00 0.00 N ATOM 1328 CA PRO A 93 0.661 4.122 1.966 1.00 0.00 C ATOM 1329 C PRO A 93 -0.333 3.716 0.883 1.00 0.00 C ATOM 1330 O PRO A 93 -1.448 4.234 0.825 1.00 0.00 O ATOM 1331 CB PRO A 93 0.804 3.007 3.006 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.146 3.379 4.092 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.161 4.882 4.133 1.00 0.00 C ATOM 0 HA PRO A 93 1.585 4.348 1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.558 2.034 2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.826 2.942 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.142 2.984 3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.174 2.966 5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.140 5.266 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.558 5.272 4.854 1.00 0.00 H new ATOM 1341 N PHE A 94 0.078 2.787 0.027 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.776 2.312 -1.054 1.00 0.00 C ATOM 1343 C PHE A 94 -1.313 0.916 -0.751 1.00 0.00 C ATOM 1344 O PHE A 94 -0.569 -0.065 -0.762 1.00 0.00 O ATOM 1345 CB PHE A 94 -0.003 2.297 -2.375 1.00 0.00 C ATOM 1346 CG PHE A 94 -0.041 3.608 -3.106 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.316 4.784 -2.466 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.434 3.665 -4.433 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.283 5.992 -3.136 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.469 4.870 -5.109 1.00 0.00 C ATOM 1351 CZ PHE A 94 -0.111 6.036 -4.459 1.00 0.00 C ATOM 0 H PHE A 94 0.998 2.348 0.061 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.620 2.996 -1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.035 2.031 -2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.414 1.519 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.624 4.756 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.716 2.757 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.565 6.901 -2.626 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.776 4.900 -6.144 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.139 6.979 -4.984 1.00 0.00 H new ATOM 1361 N THR A 95 -2.612 0.834 -0.478 1.00 0.00 N ATOM 1362 CA THR A 95 -3.249 -0.440 -0.170 1.00 0.00 C ATOM 1363 C THR A 95 -3.636 -1.184 -1.443 1.00 0.00 C ATOM 1364 O THR A 95 -4.506 -0.741 -2.193 1.00 0.00 O ATOM 1365 CB THR A 95 -4.507 -0.243 0.698 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.175 0.495 1.880 1.00 0.00 O ATOM 1367 CG2 THR A 95 -5.113 -1.584 1.084 1.00 0.00 C ATOM 0 H THR A 95 -3.243 1.635 -0.464 1.00 0.00 H new ATOM 0 HA THR A 95 -2.521 -1.031 0.386 1.00 0.00 H new ATOM 0 HB THR A 95 -5.241 0.315 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.980 0.618 2.426 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.000 -1.420 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.391 -2.131 0.183 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.384 -2.164 1.650 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.984 -2.317 -1.681 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.262 -3.124 -2.863 1.00 0.00 C ATOM 1377 C VAL A 96 -3.965 -4.424 -2.489 1.00 0.00 C ATOM 1378 O VAL A 96 -3.431 -5.237 -1.733 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.969 -3.456 -3.632 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.285 -4.249 -4.891 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.209 -2.182 -3.971 1.00 0.00 C ATOM 0 H VAL A 96 -2.260 -2.697 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.916 -2.532 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.335 -4.071 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.360 -4.474 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.783 -5.180 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.939 -3.662 -5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.298 -2.435 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.834 -1.539 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.949 -1.658 -3.051 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.166 -4.616 -3.023 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.944 -5.818 -2.748 1.00 0.00 C ATOM 1393 C LYS A 97 -5.649 -6.905 -3.777 1.00 0.00 C ATOM 1394 O LYS A 97 -6.094 -6.825 -4.922 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.440 -5.494 -2.748 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.956 -5.008 -1.404 1.00 0.00 C ATOM 1397 CD LYS A 97 -9.233 -4.198 -1.557 1.00 0.00 C ATOM 1398 CE LYS A 97 -9.899 -3.948 -0.213 1.00 0.00 C ATOM 1399 NZ LYS A 97 -10.758 -5.092 0.201 1.00 0.00 N ATOM 0 H LYS A 97 -5.623 -3.953 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.658 -6.187 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.638 -4.732 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.996 -6.384 -3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.142 -5.863 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.193 -4.399 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.005 -3.245 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.924 -4.727 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.135 -3.775 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.503 -3.042 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.194 -4.883 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.503 -5.242 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.177 -5.951 0.280 1.00 0.00 H new ATOM 1413 N ILE A 98 -4.897 -7.918 -3.361 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.546 -9.022 -4.246 1.00 0.00 C ATOM 1415 C ILE A 98 -5.528 -10.179 -4.099 1.00 0.00 C ATOM 1416 O ILE A 98 -5.717 -10.712 -3.006 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.121 -9.535 -3.968 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.090 -8.466 -4.337 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -2.860 -10.819 -4.741 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.261 -7.919 -5.737 1.00 0.00 C ATOM 0 H ILE A 98 -4.519 -7.997 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.593 -8.636 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.029 -9.750 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.159 -7.645 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.090 -8.889 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.849 -11.169 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.577 -11.580 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.967 -10.629 -5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.496 -7.166 -5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.162 -8.730 -6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.248 -7.466 -5.833 1.00 0.00 H new ATOM 1432 N SER A 99 -6.151 -10.564 -5.209 1.00 0.00 N ATOM 1433 CA SER A 99 -7.116 -11.657 -5.204 1.00 0.00 C ATOM 1434 C SER A 99 -6.486 -12.940 -5.736 1.00 0.00 C ATOM 1435 O SER A 99 -5.680 -12.910 -6.665 1.00 0.00 O ATOM 1436 CB SER A 99 -8.340 -11.289 -6.044 1.00 0.00 C ATOM 1437 OG SER A 99 -8.867 -10.033 -5.655 1.00 0.00 O ATOM 0 H SER A 99 -6.004 -10.135 -6.123 1.00 0.00 H new ATOM 0 HA SER A 99 -7.430 -11.827 -4.174 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.066 -11.261 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.105 -12.058 -5.934 1.00 0.00 H new ATOM 0 HG SER A 99 -9.647 -9.820 -6.208 1.00 0.00 H new