USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 682 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 57 ASN : amide:sc= 0.811 K(o=0.27,f=-3.5!) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.538 K(o=0.27,f=-0.83) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00542 X(o=-0.0054,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.551 (180deg=-1.05) USER MOD Single : A 29 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.5!) USER MOD Single : A 30 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-6.7!) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-4.6!) USER MOD Single : A 54 ASN :FLIP amide:sc= -5.17! C(o=-5.7!,f=-5.2!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.93 USER MOD Single : A 61 SER OG : rot 45:sc= 0.187 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 65 SER OG : rot 155:sc= 0.628 USER MOD Single : A 67 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.0078) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= -0.222 (180deg=-1.58) USER MOD Single : A 73 TYR OH : rot 100:sc= 1.05 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.127 USER MOD Single : A 87 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0138) USER MOD ----------------------------------------------------------------- ATOM 131 N GLY A 11 -9.729 0.255 -6.767 1.00 0.00 N ATOM 132 CA GLY A 11 -8.620 0.985 -6.169 1.00 0.00 C ATOM 133 C GLY A 11 -7.924 1.871 -7.187 1.00 0.00 C ATOM 134 O GLY A 11 -8.505 2.180 -8.230 1.00 0.00 O ATOM 0 HA2 GLY A 11 -8.988 1.596 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.903 0.280 -5.748 1.00 0.00 H new ATOM 138 N ILE A 12 -6.687 2.289 -6.904 1.00 0.00 N ATOM 139 CA ILE A 12 -5.964 3.145 -7.841 1.00 0.00 C ATOM 140 C ILE A 12 -4.997 2.351 -8.718 1.00 0.00 C ATOM 141 O ILE A 12 -4.702 1.185 -8.452 1.00 0.00 O ATOM 142 CB ILE A 12 -5.189 4.265 -7.124 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.976 3.694 -6.373 1.00 0.00 C ATOM 144 CG2 ILE A 12 -6.113 5.050 -6.203 1.00 0.00 C ATOM 145 CD1 ILE A 12 -4.262 3.192 -4.972 1.00 0.00 C ATOM 0 H ILE A 12 -6.177 2.054 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.727 3.595 -8.476 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.807 4.960 -7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.560 2.874 -6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.208 4.466 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.547 5.837 -5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.917 5.496 -6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.537 4.380 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.343 2.810 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.646 4.011 -4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.003 2.394 -5.016 1.00 0.00 H new ATOM 157 N SER A 13 -4.511 3.009 -9.768 1.00 0.00 N ATOM 158 CA SER A 13 -3.577 2.400 -10.711 1.00 0.00 C ATOM 159 C SER A 13 -2.127 2.616 -10.284 1.00 0.00 C ATOM 160 O SER A 13 -1.805 3.604 -9.616 1.00 0.00 O ATOM 161 CB SER A 13 -3.782 3.003 -12.098 1.00 0.00 C ATOM 162 OG SER A 13 -3.303 2.137 -13.112 1.00 0.00 O ATOM 0 H SER A 13 -4.752 3.975 -9.988 1.00 0.00 H new ATOM 0 HA SER A 13 -3.774 1.328 -10.730 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.842 3.202 -12.257 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.265 3.961 -12.161 1.00 0.00 H new ATOM 0 HG SER A 13 -3.449 2.548 -13.989 1.00 0.00 H new ATOM 168 N VAL A 14 -1.245 1.710 -10.717 1.00 0.00 N ATOM 169 CA VAL A 14 0.178 1.825 -10.418 1.00 0.00 C ATOM 170 C VAL A 14 0.748 3.075 -11.092 1.00 0.00 C ATOM 171 O VAL A 14 1.765 3.622 -10.662 1.00 0.00 O ATOM 172 CB VAL A 14 0.970 0.587 -10.886 1.00 0.00 C ATOM 173 CG1 VAL A 14 0.866 0.415 -12.394 1.00 0.00 C ATOM 174 CG2 VAL A 14 2.425 0.690 -10.447 1.00 0.00 C ATOM 0 H VAL A 14 -1.494 0.893 -11.274 1.00 0.00 H new ATOM 0 HA VAL A 14 0.280 1.899 -9.335 1.00 0.00 H new ATOM 0 HB VAL A 14 0.534 -0.297 -10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.433 -0.464 -12.700 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.180 0.289 -12.675 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.270 1.298 -12.890 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.970 -0.191 -10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.874 1.583 -10.882 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.474 0.752 -9.360 1.00 0.00 H new ATOM 184 N ASN A 15 0.064 3.522 -12.153 1.00 0.00 N ATOM 185 CA ASN A 15 0.460 4.708 -12.899 1.00 0.00 C ATOM 186 C ASN A 15 0.670 5.897 -11.964 1.00 0.00 C ATOM 187 O ASN A 15 1.569 6.710 -12.176 1.00 0.00 O ATOM 188 CB ASN A 15 -0.612 5.046 -13.931 1.00 0.00 C ATOM 189 CG ASN A 15 -0.164 6.102 -14.925 1.00 0.00 C ATOM 190 OD1 ASN A 15 -0.733 7.190 -14.986 1.00 0.00 O ATOM 191 ND2 ASN A 15 0.857 5.784 -15.714 1.00 0.00 N ATOM 0 H ASN A 15 -0.776 3.068 -12.512 1.00 0.00 H new ATOM 0 HA ASN A 15 1.403 4.499 -13.404 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.888 4.140 -14.471 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.507 5.395 -13.416 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.197 6.455 -16.403 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.301 4.869 -15.630 1.00 0.00 H new ATOM 198 N ASP A 16 -0.168 5.986 -10.928 1.00 0.00 N ATOM 199 CA ASP A 16 -0.077 7.069 -9.952 1.00 0.00 C ATOM 200 C ASP A 16 1.303 7.080 -9.281 1.00 0.00 C ATOM 201 O ASP A 16 1.658 6.149 -8.558 1.00 0.00 O ATOM 202 CB ASP A 16 -1.194 6.929 -8.912 1.00 0.00 C ATOM 203 CG ASP A 16 -1.278 8.122 -7.978 1.00 0.00 C ATOM 204 OD1 ASP A 16 -0.484 8.185 -7.022 1.00 0.00 O ATOM 205 OD2 ASP A 16 -2.141 8.994 -8.206 1.00 0.00 O ATOM 0 H ASP A 16 -0.918 5.319 -10.745 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.202 8.021 -10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.148 6.806 -9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.028 6.025 -8.326 1.00 0.00 H new ATOM 210 N PRO A 17 2.105 8.137 -9.538 1.00 0.00 N ATOM 211 CA PRO A 17 3.466 8.278 -8.986 1.00 0.00 C ATOM 212 C PRO A 17 3.522 8.262 -7.458 1.00 0.00 C ATOM 213 O PRO A 17 4.530 7.854 -6.880 1.00 0.00 O ATOM 214 CB PRO A 17 3.939 9.638 -9.518 1.00 0.00 C ATOM 215 CG PRO A 17 2.699 10.343 -9.947 1.00 0.00 C ATOM 216 CD PRO A 17 1.757 9.272 -10.406 1.00 0.00 C ATOM 0 HA PRO A 17 4.090 7.436 -9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.465 10.201 -8.747 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.631 9.516 -10.351 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.270 10.915 -9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.909 11.049 -10.750 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.716 9.570 -10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.899 9.033 -11.460 1.00 0.00 H new ATOM 224 N ARG A 18 2.448 8.696 -6.803 1.00 0.00 N ATOM 225 CA ARG A 18 2.406 8.711 -5.345 1.00 0.00 C ATOM 226 C ARG A 18 2.170 7.306 -4.814 1.00 0.00 C ATOM 227 O ARG A 18 2.846 6.854 -3.896 1.00 0.00 O ATOM 228 CB ARG A 18 1.305 9.652 -4.847 1.00 0.00 C ATOM 229 CG ARG A 18 1.438 11.070 -5.363 1.00 0.00 C ATOM 230 CD ARG A 18 2.728 11.711 -4.889 1.00 0.00 C ATOM 231 NE ARG A 18 3.338 12.550 -5.922 1.00 0.00 N ATOM 232 CZ ARG A 18 4.366 12.176 -6.689 1.00 0.00 C ATOM 233 NH1 ARG A 18 4.894 10.960 -6.579 1.00 0.00 N ATOM 234 NH2 ARG A 18 4.865 13.025 -7.579 1.00 0.00 N ATOM 0 H ARG A 18 1.601 9.040 -7.256 1.00 0.00 H new ATOM 0 HA ARG A 18 3.365 9.074 -4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.336 9.254 -5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.318 9.668 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.410 11.067 -6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.589 11.664 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.528 12.315 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.431 10.933 -4.592 1.00 0.00 H new ATOM 0 HE ARG A 18 2.952 13.483 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.514 10.298 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.679 10.689 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.464 13.958 -7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.650 12.745 -8.167 1.00 0.00 H new ATOM 248 N VAL A 19 1.207 6.623 -5.415 1.00 0.00 N ATOM 249 CA VAL A 19 0.856 5.267 -5.035 1.00 0.00 C ATOM 250 C VAL A 19 2.048 4.315 -5.186 1.00 0.00 C ATOM 251 O VAL A 19 2.287 3.468 -4.327 1.00 0.00 O ATOM 252 CB VAL A 19 -0.327 4.769 -5.890 1.00 0.00 C ATOM 253 CG1 VAL A 19 -0.586 3.289 -5.658 1.00 0.00 C ATOM 254 CG2 VAL A 19 -1.576 5.582 -5.594 1.00 0.00 C ATOM 0 H VAL A 19 0.647 6.996 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 19 0.566 5.278 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.065 4.903 -6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.425 2.966 -6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.303 2.718 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.821 3.121 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.401 5.217 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.834 5.482 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.390 6.631 -5.824 1.00 0.00 H new ATOM 264 N LYS A 20 2.787 4.461 -6.286 1.00 0.00 N ATOM 265 CA LYS A 20 3.951 3.615 -6.560 1.00 0.00 C ATOM 266 C LYS A 20 5.131 3.938 -5.636 1.00 0.00 C ATOM 267 O LYS A 20 5.853 3.033 -5.213 1.00 0.00 O ATOM 268 CB LYS A 20 4.387 3.770 -8.019 1.00 0.00 C ATOM 269 CG LYS A 20 4.587 5.217 -8.442 1.00 0.00 C ATOM 270 CD LYS A 20 6.059 5.585 -8.519 1.00 0.00 C ATOM 271 CE LYS A 20 6.756 4.879 -9.671 1.00 0.00 C ATOM 272 NZ LYS A 20 8.103 5.453 -9.942 1.00 0.00 N ATOM 0 H LYS A 20 2.600 5.160 -7.005 1.00 0.00 H new ATOM 0 HA LYS A 20 3.650 2.585 -6.371 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.317 3.223 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.638 3.311 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.121 5.379 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.084 5.875 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.159 6.664 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.549 5.323 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.853 3.818 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.142 4.955 -10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.544 4.944 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.009 6.459 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.698 5.357 -9.094 1.00 0.00 H new ATOM 286 N GLU A 21 5.330 5.225 -5.330 1.00 0.00 N ATOM 287 CA GLU A 21 6.432 5.641 -4.467 1.00 0.00 C ATOM 288 C GLU A 21 6.121 5.360 -3.003 1.00 0.00 C ATOM 289 O GLU A 21 7.002 4.990 -2.227 1.00 0.00 O ATOM 290 CB GLU A 21 6.745 7.125 -4.658 1.00 0.00 C ATOM 291 CG GLU A 21 5.762 8.065 -3.985 1.00 0.00 C ATOM 292 CD GLU A 21 6.283 9.490 -3.863 1.00 0.00 C ATOM 293 OE1 GLU A 21 7.519 9.680 -3.832 1.00 0.00 O ATOM 294 OE2 GLU A 21 5.454 10.417 -3.785 1.00 0.00 O ATOM 0 H GLU A 21 4.744 5.989 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 21 7.308 5.059 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.744 7.326 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.767 7.345 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.831 8.073 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.528 7.684 -2.991 1.00 0.00 H new ATOM 301 N ILE A 22 4.864 5.551 -2.635 1.00 0.00 N ATOM 302 CA ILE A 22 4.426 5.329 -1.268 1.00 0.00 C ATOM 303 C ILE A 22 4.312 3.828 -0.963 1.00 0.00 C ATOM 304 O ILE A 22 4.568 3.399 0.166 1.00 0.00 O ATOM 305 CB ILE A 22 3.095 6.066 -0.996 1.00 0.00 C ATOM 306 CG1 ILE A 22 3.292 7.568 -1.218 1.00 0.00 C ATOM 307 CG2 ILE A 22 2.596 5.807 0.418 1.00 0.00 C ATOM 308 CD1 ILE A 22 2.030 8.301 -1.608 1.00 0.00 C ATOM 0 H ILE A 22 4.127 5.861 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 22 5.178 5.741 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 22 2.343 5.686 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.690 8.011 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.041 7.715 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.658 6.340 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.434 4.738 0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.338 6.157 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.252 9.359 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.641 7.886 -2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.285 8.187 -0.821 1.00 0.00 H new ATOM 320 N ALA A 23 3.972 3.027 -1.981 1.00 0.00 N ATOM 321 CA ALA A 23 3.874 1.576 -1.820 1.00 0.00 C ATOM 322 C ALA A 23 5.267 0.976 -1.641 1.00 0.00 C ATOM 323 O ALA A 23 5.531 0.256 -0.672 1.00 0.00 O ATOM 324 CB ALA A 23 3.175 0.952 -3.016 1.00 0.00 C ATOM 0 H ALA A 23 3.761 3.361 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 23 3.282 1.361 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.112 -0.127 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.171 1.366 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.741 1.169 -3.922 1.00 0.00 H new ATOM 330 N GLU A 24 6.163 1.304 -2.575 1.00 0.00 N ATOM 331 CA GLU A 24 7.538 0.836 -2.523 1.00 0.00 C ATOM 332 C GLU A 24 8.163 1.223 -1.187 1.00 0.00 C ATOM 333 O GLU A 24 8.855 0.420 -0.561 1.00 0.00 O ATOM 334 CB GLU A 24 8.341 1.428 -3.683 1.00 0.00 C ATOM 335 CG GLU A 24 8.564 2.927 -3.575 1.00 0.00 C ATOM 336 CD GLU A 24 9.220 3.525 -4.806 1.00 0.00 C ATOM 337 OE1 GLU A 24 8.701 3.315 -5.922 1.00 0.00 O ATOM 338 OE2 GLU A 24 10.250 4.212 -4.650 1.00 0.00 O ATOM 0 H GLU A 24 5.953 1.896 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 24 7.551 -0.250 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.309 0.929 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.823 1.214 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.606 3.419 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.186 3.133 -2.704 1.00 0.00 H new ATOM 345 N PHE A 25 7.880 2.455 -0.744 1.00 0.00 N ATOM 346 CA PHE A 25 8.379 2.944 0.535 1.00 0.00 C ATOM 347 C PHE A 25 7.878 2.052 1.662 1.00 0.00 C ATOM 348 O PHE A 25 8.604 1.777 2.617 1.00 0.00 O ATOM 349 CB PHE A 25 7.932 4.385 0.792 1.00 0.00 C ATOM 350 CG PHE A 25 8.616 5.012 1.977 1.00 0.00 C ATOM 351 CD1 PHE A 25 8.203 4.728 3.272 1.00 0.00 C ATOM 352 CD2 PHE A 25 9.678 5.880 1.793 1.00 0.00 C ATOM 353 CE1 PHE A 25 8.840 5.299 4.356 1.00 0.00 C ATOM 354 CE2 PHE A 25 10.318 6.455 2.875 1.00 0.00 C ATOM 355 CZ PHE A 25 9.899 6.162 4.158 1.00 0.00 C ATOM 0 H PHE A 25 7.308 3.126 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 25 9.468 2.921 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.133 4.985 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.854 4.402 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.375 4.054 3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.011 6.111 0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.510 5.070 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.144 7.132 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.399 6.607 5.005 1.00 0.00 H new ATOM 365 N ALA A 26 6.629 1.598 1.536 1.00 0.00 N ATOM 366 CA ALA A 26 6.026 0.727 2.541 1.00 0.00 C ATOM 367 C ALA A 26 6.846 -0.551 2.726 1.00 0.00 C ATOM 368 O ALA A 26 7.080 -0.986 3.855 1.00 0.00 O ATOM 369 CB ALA A 26 4.590 0.391 2.163 1.00 0.00 C ATOM 0 H ALA A 26 6.019 1.820 0.749 1.00 0.00 H new ATOM 0 HA ALA A 26 6.019 1.262 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.156 -0.259 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.007 1.310 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.577 -0.119 1.200 1.00 0.00 H new ATOM 375 N LEU A 27 7.286 -1.146 1.611 1.00 0.00 N ATOM 376 CA LEU A 27 8.085 -2.375 1.662 1.00 0.00 C ATOM 377 C LEU A 27 9.483 -2.110 2.238 1.00 0.00 C ATOM 378 O LEU A 27 9.944 -2.845 3.113 1.00 0.00 O ATOM 379 CB LEU A 27 8.196 -3.012 0.263 1.00 0.00 C ATOM 380 CG LEU A 27 9.463 -3.834 0.004 1.00 0.00 C ATOM 381 CD1 LEU A 27 9.558 -4.998 0.979 1.00 0.00 C ATOM 382 CD2 LEU A 27 9.485 -4.336 -1.433 1.00 0.00 C ATOM 0 H LEU A 27 7.104 -0.799 0.669 1.00 0.00 H new ATOM 0 HA LEU A 27 7.573 -3.073 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.330 -3.655 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.142 -2.219 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 27 10.328 -3.190 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.465 -5.568 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.589 -4.616 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.689 -5.645 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.391 -4.918 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.612 -4.964 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.468 -3.486 -2.116 1.00 0.00 H new ATOM 394 N LYS A 28 10.157 -1.069 1.735 1.00 0.00 N ATOM 395 CA LYS A 28 11.510 -0.728 2.196 1.00 0.00 C ATOM 396 C LYS A 28 11.529 -0.228 3.647 1.00 0.00 C ATOM 397 O LYS A 28 12.548 -0.346 4.327 1.00 0.00 O ATOM 398 CB LYS A 28 12.158 0.312 1.270 1.00 0.00 C ATOM 399 CG LYS A 28 11.360 1.597 1.109 1.00 0.00 C ATOM 400 CD LYS A 28 12.273 2.786 0.844 1.00 0.00 C ATOM 401 CE LYS A 28 11.689 3.731 -0.198 1.00 0.00 C ATOM 402 NZ LYS A 28 11.464 3.056 -1.507 1.00 0.00 N ATOM 0 H LYS A 28 9.791 -0.450 1.012 1.00 0.00 H new ATOM 0 HA LYS A 28 12.091 -1.649 2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.146 0.559 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.304 -0.136 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.653 1.488 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.774 1.779 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.440 3.330 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.245 2.428 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.745 4.134 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.363 4.576 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.329 3.773 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.289 2.467 -1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.617 2.456 -1.447 1.00 0.00 H new ATOM 416 N GLN A 29 10.408 0.325 4.119 1.00 0.00 N ATOM 417 CA GLN A 29 10.323 0.829 5.492 1.00 0.00 C ATOM 418 C GLN A 29 10.211 -0.313 6.500 1.00 0.00 C ATOM 419 O GLN A 29 10.635 -0.172 7.649 1.00 0.00 O ATOM 420 CB GLN A 29 9.139 1.787 5.650 1.00 0.00 C ATOM 421 CG GLN A 29 9.151 2.549 6.969 1.00 0.00 C ATOM 422 CD GLN A 29 10.044 3.777 6.940 1.00 0.00 C ATOM 423 OE1 GLN A 29 11.192 3.715 6.501 1.00 0.00 O ATOM 424 NE2 GLN A 29 9.521 4.903 7.414 1.00 0.00 N ATOM 0 H GLN A 29 9.552 0.435 3.575 1.00 0.00 H new ATOM 0 HA GLN A 29 11.245 1.374 5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.146 2.501 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.210 1.221 5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.134 2.853 7.215 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.486 1.882 7.764 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.565 4.911 7.769 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.076 5.759 7.423 1.00 0.00 H new ATOM 433 N HIS A 30 9.646 -1.443 6.068 1.00 0.00 N ATOM 434 CA HIS A 30 9.492 -2.603 6.939 1.00 0.00 C ATOM 435 C HIS A 30 10.869 -3.159 7.332 1.00 0.00 C ATOM 436 O HIS A 30 11.497 -2.653 8.265 1.00 0.00 O ATOM 437 CB HIS A 30 8.614 -3.664 6.247 1.00 0.00 C ATOM 438 CG HIS A 30 8.184 -4.788 7.141 1.00 0.00 C ATOM 439 ND1 HIS A 30 7.249 -5.732 6.772 1.00 0.00 N ATOM 440 CD2 HIS A 30 8.568 -5.117 8.391 1.00 0.00 C ATOM 441 CE1 HIS A 30 7.079 -6.590 7.761 1.00 0.00 C ATOM 442 NE2 HIS A 30 7.869 -6.239 8.756 1.00 0.00 N ATOM 0 H HIS A 30 9.289 -1.576 5.122 1.00 0.00 H new ATOM 0 HA HIS A 30 8.989 -2.306 7.859 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.727 -3.177 5.843 1.00 0.00 H new ATOM 0 HB3 HIS A 30 9.163 -4.078 5.401 1.00 0.00 H new ATOM 0 HD2 HIS A 30 9.294 -4.592 8.995 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.407 -7.435 7.756 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.948 -6.723 9.651 1.00 0.00 H new ATOM 451 N ALA A 31 11.351 -4.169 6.606 1.00 0.00 N ATOM 452 CA ALA A 31 12.667 -4.753 6.864 1.00 0.00 C ATOM 453 C ALA A 31 12.874 -5.187 8.322 1.00 0.00 C ATOM 454 O ALA A 31 13.997 -5.156 8.827 1.00 0.00 O ATOM 455 CB ALA A 31 13.739 -3.764 6.444 1.00 0.00 C ATOM 0 H ALA A 31 10.847 -4.601 5.832 1.00 0.00 H new ATOM 0 HA ALA A 31 12.737 -5.667 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.723 -4.192 6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.636 -3.546 5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.628 -2.843 7.016 1.00 0.00 H new ATOM 461 N GLU A 32 11.805 -5.617 8.988 1.00 0.00 N ATOM 462 CA GLU A 32 11.904 -6.079 10.368 1.00 0.00 C ATOM 463 C GLU A 32 12.100 -7.595 10.398 1.00 0.00 C ATOM 464 O GLU A 32 12.863 -8.119 11.211 1.00 0.00 O ATOM 465 CB GLU A 32 10.660 -5.667 11.171 1.00 0.00 C ATOM 466 CG GLU A 32 9.967 -6.810 11.899 1.00 0.00 C ATOM 467 CD GLU A 32 9.122 -6.329 13.062 1.00 0.00 C ATOM 468 OE1 GLU A 32 8.068 -5.706 12.814 1.00 0.00 O ATOM 469 OE2 GLU A 32 9.515 -6.572 14.221 1.00 0.00 O ATOM 0 H GLU A 32 10.864 -5.655 8.595 1.00 0.00 H new ATOM 0 HA GLU A 32 12.770 -5.609 10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.949 -4.911 11.901 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.945 -5.199 10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.336 -7.355 11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.717 -7.512 12.264 1.00 0.00 H new ATOM 476 N GLN A 33 11.417 -8.281 9.486 1.00 0.00 N ATOM 477 CA GLN A 33 11.510 -9.735 9.367 1.00 0.00 C ATOM 478 C GLN A 33 12.165 -10.142 8.037 1.00 0.00 C ATOM 479 O GLN A 33 12.415 -11.325 7.802 1.00 0.00 O ATOM 480 CB GLN A 33 10.121 -10.375 9.478 1.00 0.00 C ATOM 481 CG GLN A 33 8.998 -9.538 8.881 1.00 0.00 C ATOM 482 CD GLN A 33 7.712 -10.324 8.708 1.00 0.00 C ATOM 483 OE1 GLN A 33 7.154 -10.295 7.503 1.00 0.00 O flip ATOM 484 NE2 GLN A 33 7.223 -10.952 9.648 1.00 0.00 N flip ATOM 0 H GLN A 33 10.786 -7.848 8.811 1.00 0.00 H new ATOM 0 HA GLN A 33 12.135 -10.094 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.140 -11.345 8.981 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.902 -10.560 10.530 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.810 -8.678 9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.315 -9.149 7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.683 -10.948 10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.358 -11.476 9.516 1.00 0.00 H new ATOM 493 N ASN A 34 12.439 -9.150 7.175 1.00 0.00 N ATOM 494 CA ASN A 34 13.062 -9.378 5.872 1.00 0.00 C ATOM 495 C ASN A 34 12.126 -10.145 4.932 1.00 0.00 C ATOM 496 O ASN A 34 12.113 -11.377 4.913 1.00 0.00 O ATOM 497 CB ASN A 34 14.402 -10.105 6.038 1.00 0.00 C ATOM 498 CG ASN A 34 15.033 -10.504 4.713 1.00 0.00 C ATOM 499 OD1 ASN A 34 15.690 -9.695 4.058 1.00 0.00 O ATOM 500 ND2 ASN A 34 14.838 -11.756 4.311 1.00 0.00 N ATOM 0 H ASN A 34 12.233 -8.170 7.366 1.00 0.00 H new ATOM 0 HA ASN A 34 13.255 -8.408 5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 34 15.092 -9.461 6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.251 -10.998 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.240 -12.077 3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.287 -12.395 4.884 1.00 0.00 H new ATOM 507 N LEU A 35 11.348 -9.394 4.149 1.00 0.00 N ATOM 508 CA LEU A 35 10.408 -9.974 3.190 1.00 0.00 C ATOM 509 C LEU A 35 10.525 -9.275 1.841 1.00 0.00 C ATOM 510 O LEU A 35 11.066 -8.170 1.750 1.00 0.00 O ATOM 511 CB LEU A 35 8.974 -9.894 3.727 1.00 0.00 C ATOM 512 CG LEU A 35 8.315 -8.510 3.668 1.00 0.00 C ATOM 513 CD1 LEU A 35 6.906 -8.617 3.111 1.00 0.00 C ATOM 514 CD2 LEU A 35 8.286 -7.868 5.046 1.00 0.00 C ATOM 0 H LEU A 35 11.352 -8.374 4.162 1.00 0.00 H new ATOM 0 HA LEU A 35 10.658 -11.026 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.356 -10.594 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.975 -10.231 4.764 1.00 0.00 H new ATOM 0 HG LEU A 35 8.908 -7.879 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.452 -7.626 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.943 -9.035 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.310 -9.266 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.814 -6.887 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.718 -8.499 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.305 -7.757 5.417 1.00 0.00 H new ATOM 526 N ILE A 36 10.051 -9.937 0.787 1.00 0.00 N ATOM 527 CA ILE A 36 10.150 -9.383 -0.557 1.00 0.00 C ATOM 528 C ILE A 36 8.790 -9.221 -1.213 1.00 0.00 C ATOM 529 O ILE A 36 8.034 -10.179 -1.336 1.00 0.00 O ATOM 530 CB ILE A 36 11.023 -10.285 -1.452 1.00 0.00 C ATOM 531 CG1 ILE A 36 11.845 -11.266 -0.602 1.00 0.00 C ATOM 532 CG2 ILE A 36 11.923 -9.437 -2.335 1.00 0.00 C ATOM 533 CD1 ILE A 36 12.380 -12.444 -1.385 1.00 0.00 C ATOM 0 H ILE A 36 9.599 -10.850 0.839 1.00 0.00 H new ATOM 0 HA ILE A 36 10.606 -8.398 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 36 10.369 -10.873 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.680 -10.731 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 36 11.224 -11.635 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.534 -10.086 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.311 -8.794 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.571 -8.822 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.950 -13.094 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.549 -13.003 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.028 -12.085 -2.185 1.00 0.00 H new ATOM 545 N LEU A 37 8.498 -8.000 -1.651 1.00 0.00 N ATOM 546 CA LEU A 37 7.239 -7.711 -2.314 1.00 0.00 C ATOM 547 C LEU A 37 7.386 -7.864 -3.820 1.00 0.00 C ATOM 548 O LEU A 37 8.112 -7.109 -4.468 1.00 0.00 O ATOM 549 CB LEU A 37 6.768 -6.304 -1.962 1.00 0.00 C ATOM 550 CG LEU A 37 5.270 -6.052 -2.132 1.00 0.00 C ATOM 551 CD1 LEU A 37 4.504 -6.537 -0.905 1.00 0.00 C ATOM 552 CD2 LEU A 37 5.006 -4.577 -2.379 1.00 0.00 C ATOM 0 H LEU A 37 9.119 -7.197 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 37 6.490 -8.423 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.039 -6.097 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.312 -5.591 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 37 4.920 -6.614 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.439 -6.350 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.670 -7.606 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.855 -6.002 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.935 -4.414 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.370 -3.995 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.524 -4.261 -3.285 1.00 0.00 H new ATOM 564 N ALA A 38 6.691 -8.854 -4.366 1.00 0.00 N ATOM 565 CA ALA A 38 6.735 -9.126 -5.795 1.00 0.00 C ATOM 566 C ALA A 38 6.135 -7.978 -6.596 1.00 0.00 C ATOM 567 O ALA A 38 6.565 -7.722 -7.722 1.00 0.00 O ATOM 568 CB ALA A 38 6.018 -10.427 -6.110 1.00 0.00 C ATOM 0 H ALA A 38 6.088 -9.484 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 38 7.781 -9.224 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.060 -10.615 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.501 -11.247 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.977 -10.354 -5.795 1.00 0.00 H new ATOM 574 N GLY A 39 5.148 -7.275 -6.024 1.00 0.00 N ATOM 575 CA GLY A 39 4.554 -6.162 -6.752 1.00 0.00 C ATOM 576 C GLY A 39 3.296 -5.590 -6.125 1.00 0.00 C ATOM 577 O GLY A 39 2.657 -6.224 -5.283 1.00 0.00 O ATOM 0 H GLY A 39 4.761 -7.452 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.294 -5.366 -6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.321 -6.492 -7.764 1.00 0.00 H new ATOM 581 N VAL A 40 2.941 -4.379 -6.565 1.00 0.00 N ATOM 582 CA VAL A 40 1.750 -3.682 -6.088 1.00 0.00 C ATOM 583 C VAL A 40 0.496 -4.301 -6.716 1.00 0.00 C ATOM 584 O VAL A 40 0.401 -4.427 -7.938 1.00 0.00 O ATOM 585 CB VAL A 40 1.840 -2.161 -6.411 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.466 -1.524 -6.624 1.00 0.00 C ATOM 587 CG2 VAL A 40 2.607 -1.427 -5.312 1.00 0.00 C ATOM 0 H VAL A 40 3.473 -3.857 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 40 1.686 -3.791 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 40 2.383 -2.066 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.587 -0.464 -6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.037 -2.014 -7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.133 -1.640 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.661 -0.365 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.093 -1.557 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.615 -1.834 -5.238 1.00 0.00 H new ATOM 597 N ASP A 41 -0.450 -4.706 -5.869 1.00 0.00 N ATOM 598 CA ASP A 41 -1.689 -5.334 -6.332 1.00 0.00 C ATOM 599 C ASP A 41 -2.790 -4.300 -6.565 1.00 0.00 C ATOM 600 O ASP A 41 -3.266 -4.131 -7.687 1.00 0.00 O ATOM 601 CB ASP A 41 -2.152 -6.372 -5.306 1.00 0.00 C ATOM 602 CG ASP A 41 -2.929 -7.515 -5.931 1.00 0.00 C ATOM 603 OD1 ASP A 41 -4.121 -7.322 -6.246 1.00 0.00 O ATOM 604 OD2 ASP A 41 -2.346 -8.606 -6.100 1.00 0.00 O ATOM 0 H ASP A 41 -0.382 -4.610 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.487 -5.823 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.283 -6.773 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.775 -5.883 -4.557 1.00 0.00 H new ATOM 609 N ALA A 42 -3.187 -3.616 -5.493 1.00 0.00 N ATOM 610 CA ALA A 42 -4.230 -2.592 -5.555 1.00 0.00 C ATOM 611 C ALA A 42 -4.169 -1.709 -4.314 1.00 0.00 C ATOM 612 O ALA A 42 -3.423 -2.006 -3.379 1.00 0.00 O ATOM 613 CB ALA A 42 -5.604 -3.235 -5.688 1.00 0.00 C ATOM 0 H ALA A 42 -2.797 -3.755 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.059 -1.971 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.367 -2.458 -5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.640 -3.831 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.790 -3.877 -4.827 1.00 0.00 H new ATOM 619 N GLY A 43 -4.941 -0.623 -4.294 1.00 0.00 N ATOM 620 CA GLY A 43 -4.912 0.249 -3.139 1.00 0.00 C ATOM 621 C GLY A 43 -5.972 1.327 -3.129 1.00 0.00 C ATOM 622 O GLY A 43 -6.860 1.364 -3.981 1.00 0.00 O ATOM 0 H GLY A 43 -5.573 -0.339 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.023 -0.358 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.932 0.723 -3.084 1.00 0.00 H new ATOM 626 N GLN A 44 -5.866 2.194 -2.126 1.00 0.00 N ATOM 627 CA GLN A 44 -6.800 3.286 -1.919 1.00 0.00 C ATOM 628 C GLN A 44 -6.097 4.510 -1.322 1.00 0.00 C ATOM 629 O GLN A 44 -4.950 4.422 -0.877 1.00 0.00 O ATOM 630 CB GLN A 44 -7.898 2.810 -0.971 1.00 0.00 C ATOM 631 CG GLN A 44 -8.925 1.920 -1.643 1.00 0.00 C ATOM 632 CD GLN A 44 -9.767 1.145 -0.648 1.00 0.00 C ATOM 633 OE1 GLN A 44 -10.946 1.439 -0.454 1.00 0.00 O ATOM 634 NE2 GLN A 44 -9.165 0.145 -0.012 1.00 0.00 N ATOM 0 H GLN A 44 -5.121 2.154 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.224 3.580 -2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.443 2.267 -0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.402 3.677 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.577 2.531 -2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.416 1.220 -2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.185 -0.065 -0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.683 -0.413 0.667 1.00 0.00 H new ATOM 643 N ILE A 45 -6.798 5.645 -1.303 1.00 0.00 N ATOM 644 CA ILE A 45 -6.252 6.886 -0.750 1.00 0.00 C ATOM 645 C ILE A 45 -7.345 7.672 -0.020 1.00 0.00 C ATOM 646 O ILE A 45 -8.447 7.847 -0.543 1.00 0.00 O ATOM 647 CB ILE A 45 -5.618 7.771 -1.850 1.00 0.00 C ATOM 648 CG1 ILE A 45 -4.398 7.079 -2.459 1.00 0.00 C ATOM 649 CG2 ILE A 45 -5.222 9.129 -1.290 1.00 0.00 C ATOM 650 CD1 ILE A 45 -4.727 6.219 -3.656 1.00 0.00 C ATOM 0 H ILE A 45 -7.748 5.731 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.469 6.611 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.363 7.922 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.671 7.836 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.923 6.461 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.779 9.734 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.106 9.634 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.497 8.994 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.814 5.760 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.430 5.440 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.174 6.836 -4.435 1.00 0.00 H new ATOM 662 N ILE A 46 -7.034 8.132 1.195 1.00 0.00 N ATOM 663 CA ILE A 46 -7.991 8.887 2.004 1.00 0.00 C ATOM 664 C ILE A 46 -7.614 10.365 2.066 1.00 0.00 C ATOM 665 O ILE A 46 -6.543 10.726 2.575 1.00 0.00 O ATOM 666 CB ILE A 46 -8.083 8.319 3.436 1.00 0.00 C ATOM 667 CG1 ILE A 46 -8.627 6.886 3.403 1.00 0.00 C ATOM 668 CG2 ILE A 46 -8.953 9.207 4.318 1.00 0.00 C ATOM 669 CD1 ILE A 46 -10.114 6.799 3.130 1.00 0.00 C ATOM 0 H ILE A 46 -6.126 7.994 1.639 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.964 8.790 1.523 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.081 8.301 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.094 6.323 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.414 6.405 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.002 8.786 5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.522 10.207 4.365 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.957 9.264 3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.422 5.753 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.659 7.332 3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.333 7.249 2.162 1.00 0.00 H new ATOM 681 N LYS A 47 -8.500 11.210 1.526 1.00 0.00 N ATOM 682 CA LYS A 47 -8.272 12.653 1.495 1.00 0.00 C ATOM 683 C LYS A 47 -9.517 13.460 1.881 1.00 0.00 C ATOM 684 O LYS A 47 -10.645 12.967 1.840 1.00 0.00 O ATOM 685 CB LYS A 47 -7.801 13.091 0.100 1.00 0.00 C ATOM 686 CG LYS A 47 -8.339 12.236 -1.041 1.00 0.00 C ATOM 687 CD LYS A 47 -9.812 12.511 -1.299 1.00 0.00 C ATOM 688 CE LYS A 47 -10.410 11.508 -2.273 1.00 0.00 C ATOM 689 NZ LYS A 47 -11.887 11.395 -2.119 1.00 0.00 N ATOM 0 H LYS A 47 -9.381 10.916 1.105 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.500 12.858 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.102 14.126 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.712 13.068 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.767 12.435 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.201 11.181 -0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.359 12.474 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.930 13.519 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.174 11.808 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.953 10.531 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.255 10.701 -2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.112 11.084 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.326 12.321 -2.296 1.00 0.00 H new ATOM 703 N GLY A 48 -9.272 14.724 2.215 1.00 0.00 N ATOM 704 CA GLY A 48 -10.319 15.672 2.572 1.00 0.00 C ATOM 705 C GLY A 48 -9.875 17.061 2.163 1.00 0.00 C ATOM 706 O GLY A 48 -10.350 17.615 1.171 1.00 0.00 O ATOM 0 H GLY A 48 -8.333 15.121 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.252 15.411 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.511 15.637 3.644 1.00 0.00 H new ATOM 710 N ILE A 49 -8.889 17.571 2.895 1.00 0.00 N ATOM 711 CA ILE A 49 -8.260 18.850 2.598 1.00 0.00 C ATOM 712 C ILE A 49 -6.778 18.554 2.369 1.00 0.00 C ATOM 713 O ILE A 49 -6.072 18.149 3.295 1.00 0.00 O ATOM 714 CB ILE A 49 -8.452 19.881 3.738 1.00 0.00 C ATOM 715 CG1 ILE A 49 -8.067 21.284 3.257 1.00 0.00 C ATOM 716 CG2 ILE A 49 -7.644 19.495 4.970 1.00 0.00 C ATOM 717 CD1 ILE A 49 -9.181 22.299 3.397 1.00 0.00 C ATOM 0 H ILE A 49 -8.503 17.104 3.716 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.720 19.302 1.719 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.505 19.885 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.200 21.628 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.765 21.230 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.798 20.237 5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.969 18.518 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.586 19.454 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.837 23.269 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.041 21.978 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.468 22.382 4.445 1.00 0.00 H new ATOM 729 N PRO A 50 -6.293 18.645 1.119 1.00 0.00 N ATOM 730 CA PRO A 50 -4.920 18.277 0.811 1.00 0.00 C ATOM 731 C PRO A 50 -3.875 19.371 0.969 1.00 0.00 C ATOM 732 O PRO A 50 -3.851 20.361 0.237 1.00 0.00 O ATOM 733 CB PRO A 50 -5.007 17.840 -0.642 1.00 0.00 C ATOM 734 CG PRO A 50 -6.079 18.707 -1.221 1.00 0.00 C ATOM 735 CD PRO A 50 -7.050 19.000 -0.097 1.00 0.00 C ATOM 0 HA PRO A 50 -4.574 17.522 1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.058 17.982 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.261 16.783 -0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.658 19.630 -1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.582 18.203 -2.046 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.351 20.048 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.960 18.408 -0.189 1.00 0.00 H new ATOM 743 N HIS A 51 -2.961 19.102 1.887 1.00 0.00 N ATOM 744 CA HIS A 51 -1.806 19.949 2.146 1.00 0.00 C ATOM 745 C HIS A 51 -0.549 19.091 1.935 1.00 0.00 C ATOM 746 O HIS A 51 0.519 19.359 2.488 1.00 0.00 O ATOM 747 CB HIS A 51 -1.850 20.544 3.561 1.00 0.00 C ATOM 748 CG HIS A 51 -1.968 19.532 4.662 1.00 0.00 C ATOM 749 ND1 HIS A 51 -3.103 18.778 4.880 1.00 0.00 N ATOM 750 CD2 HIS A 51 -1.089 19.170 5.625 1.00 0.00 C ATOM 751 CE1 HIS A 51 -2.915 17.999 5.930 1.00 0.00 C ATOM 752 NE2 HIS A 51 -1.702 18.218 6.400 1.00 0.00 N ATOM 0 H HIS A 51 -3.001 18.276 2.483 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.801 20.798 1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.946 21.132 3.722 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.693 21.231 3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.090 19.558 5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.633 17.301 6.335 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.287 17.755 7.208 1.00 0.00 H new ATOM 761 N TRP A 52 -0.731 18.028 1.130 1.00 0.00 N ATOM 762 CA TRP A 52 0.300 17.054 0.803 1.00 0.00 C ATOM 763 C TRP A 52 0.598 16.117 1.977 1.00 0.00 C ATOM 764 O TRP A 52 1.721 15.641 2.149 1.00 0.00 O ATOM 765 CB TRP A 52 1.564 17.716 0.257 1.00 0.00 C ATOM 766 CG TRP A 52 2.182 16.919 -0.856 1.00 0.00 C ATOM 767 CD1 TRP A 52 3.508 16.845 -1.168 1.00 0.00 C ATOM 768 CD2 TRP A 52 1.498 16.066 -1.797 1.00 0.00 C ATOM 769 NE1 TRP A 52 3.696 15.994 -2.229 1.00 0.00 N ATOM 770 CE2 TRP A 52 2.481 15.505 -2.632 1.00 0.00 C ATOM 771 CE3 TRP A 52 0.152 15.715 -2.015 1.00 0.00 C ATOM 772 CZ2 TRP A 52 2.170 14.618 -3.657 1.00 0.00 C ATOM 773 CZ3 TRP A 52 -0.149 14.832 -3.034 1.00 0.00 C ATOM 774 CH2 TRP A 52 0.856 14.289 -3.842 1.00 0.00 C ATOM 0 H TRP A 52 -1.626 17.827 0.683 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.097 16.433 0.000 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.322 18.716 -0.104 1.00 0.00 H new ATOM 0 HB3 TRP A 52 2.288 17.835 1.063 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.295 17.378 -0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 52 4.596 15.763 -2.650 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -0.631 16.129 -1.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.942 14.202 -4.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.178 14.556 -3.210 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.589 13.597 -4.627 1.00 0.00 H new ATOM 785 N ASP A 53 -0.450 15.828 2.751 1.00 0.00 N ATOM 786 CA ASP A 53 -0.377 14.915 3.889 1.00 0.00 C ATOM 787 C ASP A 53 -1.384 13.768 3.703 1.00 0.00 C ATOM 788 O ASP A 53 -1.906 13.219 4.675 1.00 0.00 O ATOM 789 CB ASP A 53 -0.650 15.664 5.195 1.00 0.00 C ATOM 790 CG ASP A 53 0.419 15.416 6.245 1.00 0.00 C ATOM 791 OD1 ASP A 53 0.716 14.237 6.527 1.00 0.00 O ATOM 792 OD2 ASP A 53 0.956 16.403 6.787 1.00 0.00 O ATOM 0 H ASP A 53 -1.378 16.224 2.603 1.00 0.00 H new ATOM 0 HA ASP A 53 0.628 14.496 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.712 16.733 4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.619 15.358 5.589 1.00 0.00 H new ATOM 797 N ASN A 54 -1.679 13.447 2.436 1.00 0.00 N ATOM 798 CA ASN A 54 -2.654 12.410 2.085 1.00 0.00 C ATOM 799 C ASN A 54 -2.309 11.046 2.674 1.00 0.00 C ATOM 800 O ASN A 54 -1.139 10.668 2.764 1.00 0.00 O ATOM 801 CB ASN A 54 -2.778 12.315 0.557 1.00 0.00 C ATOM 802 CG ASN A 54 -4.214 12.367 0.081 1.00 0.00 C ATOM 803 OD1 ASN A 54 -4.983 11.333 0.395 1.00 0.00 O flip ATOM 804 ND2 ASN A 54 -4.629 13.329 -0.566 1.00 0.00 N flip ATOM 0 H ASN A 54 -1.249 13.898 1.629 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.609 12.703 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.219 13.131 0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.321 11.386 0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.003 14.104 -0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.599 13.351 -0.882 1.00 0.00 H new ATOM 811 N TYR A 55 -3.355 10.311 3.069 1.00 0.00 N ATOM 812 CA TYR A 55 -3.192 8.982 3.647 1.00 0.00 C ATOM 813 C TYR A 55 -3.343 7.909 2.575 1.00 0.00 C ATOM 814 O TYR A 55 -4.205 8.014 1.700 1.00 0.00 O ATOM 815 CB TYR A 55 -4.216 8.764 4.763 1.00 0.00 C ATOM 816 CG TYR A 55 -3.743 9.211 6.131 1.00 0.00 C ATOM 817 CD1 TYR A 55 -2.396 9.185 6.472 1.00 0.00 C ATOM 818 CD2 TYR A 55 -4.650 9.650 7.085 1.00 0.00 C ATOM 819 CE1 TYR A 55 -1.968 9.582 7.722 1.00 0.00 C ATOM 820 CE2 TYR A 55 -4.229 10.052 8.339 1.00 0.00 C ATOM 821 CZ TYR A 55 -2.888 10.015 8.652 1.00 0.00 C ATOM 822 OH TYR A 55 -2.464 10.413 9.899 1.00 0.00 O ATOM 0 H TYR A 55 -4.324 10.620 2.996 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.190 8.908 4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.130 9.302 4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.471 7.705 4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.671 8.848 5.746 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.702 9.678 6.844 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.917 9.554 7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.948 10.393 9.069 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.237 10.690 10.434 1.00 0.00 H new ATOM 832 N TYR A 56 -2.486 6.888 2.630 1.00 0.00 N ATOM 833 CA TYR A 56 -2.516 5.815 1.644 1.00 0.00 C ATOM 834 C TYR A 56 -2.785 4.451 2.287 1.00 0.00 C ATOM 835 O TYR A 56 -2.209 4.110 3.320 1.00 0.00 O ATOM 836 CB TYR A 56 -1.193 5.805 0.872 1.00 0.00 C ATOM 837 CG TYR A 56 -1.129 6.865 -0.212 1.00 0.00 C ATOM 838 CD1 TYR A 56 -1.230 8.215 0.109 1.00 0.00 C ATOM 839 CD2 TYR A 56 -0.978 6.523 -1.550 1.00 0.00 C ATOM 840 CE1 TYR A 56 -1.184 9.188 -0.869 1.00 0.00 C ATOM 841 CE2 TYR A 56 -0.929 7.494 -2.534 1.00 0.00 C ATOM 842 CZ TYR A 56 -1.034 8.824 -2.187 1.00 0.00 C ATOM 843 OH TYR A 56 -0.992 9.792 -3.163 1.00 0.00 O ATOM 0 H TYR A 56 -1.766 6.785 3.345 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.340 6.002 0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.370 5.958 1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.050 4.823 0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.347 8.507 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.898 5.482 -1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.265 10.231 -0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.809 7.211 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.611 10.615 -2.792 1.00 0.00 H new ATOM 853 N ASN A 57 -3.673 3.683 1.651 1.00 0.00 N ATOM 854 CA ASN A 57 -4.055 2.346 2.116 1.00 0.00 C ATOM 855 C ASN A 57 -4.035 1.380 0.934 1.00 0.00 C ATOM 856 O ASN A 57 -4.819 1.544 0.010 1.00 0.00 O ATOM 857 CB ASN A 57 -5.462 2.388 2.728 1.00 0.00 C ATOM 858 CG ASN A 57 -5.865 1.072 3.370 1.00 0.00 C ATOM 859 OD1 ASN A 57 -5.151 0.075 3.273 1.00 0.00 O ATOM 860 ND2 ASN A 57 -7.016 1.061 4.033 1.00 0.00 N ATOM 0 H ASN A 57 -4.149 3.971 0.796 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.350 2.010 2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.504 3.180 3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.183 2.644 1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.336 0.204 4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.580 1.909 4.090 1.00 0.00 H new ATOM 867 N LEU A 58 -3.132 0.393 0.935 1.00 0.00 N ATOM 868 CA LEU A 58 -3.056 -0.532 -0.205 1.00 0.00 C ATOM 869 C LEU A 58 -2.711 -1.970 0.188 1.00 0.00 C ATOM 870 O LEU A 58 -2.303 -2.253 1.316 1.00 0.00 O ATOM 871 CB LEU A 58 -2.016 -0.030 -1.214 1.00 0.00 C ATOM 872 CG LEU A 58 -2.234 1.389 -1.745 1.00 0.00 C ATOM 873 CD1 LEU A 58 -1.518 2.404 -0.868 1.00 0.00 C ATOM 874 CD2 LEU A 58 -1.758 1.495 -3.188 1.00 0.00 C ATOM 0 H LEU A 58 -2.463 0.215 1.685 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.054 -0.552 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.032 -0.076 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.999 -0.716 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.301 1.608 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.685 3.407 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.906 2.344 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.449 2.190 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.920 2.510 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.696 1.256 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.317 0.794 -3.808 1.00 0.00 H new ATOM 886 N ILE A 59 -2.870 -2.866 -0.793 1.00 0.00 N ATOM 887 CA ILE A 59 -2.573 -4.292 -0.637 1.00 0.00 C ATOM 888 C ILE A 59 -1.602 -4.730 -1.739 1.00 0.00 C ATOM 889 O ILE A 59 -1.813 -4.409 -2.910 1.00 0.00 O ATOM 890 CB ILE A 59 -3.848 -5.161 -0.733 1.00 0.00 C ATOM 891 CG1 ILE A 59 -5.085 -4.381 -0.266 1.00 0.00 C ATOM 892 CG2 ILE A 59 -3.679 -6.444 0.070 1.00 0.00 C ATOM 893 CD1 ILE A 59 -5.171 -4.201 1.233 1.00 0.00 C ATOM 0 H ILE A 59 -3.210 -2.619 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.134 -4.432 0.351 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.000 -5.428 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.083 -3.399 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.980 -4.899 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.585 -7.044 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.834 -7.010 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.496 -6.197 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.072 -3.641 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.207 -5.178 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.296 -3.655 1.585 1.00 0.00 H new ATOM 905 N LEU A 60 -0.535 -5.443 -1.372 1.00 0.00 N ATOM 906 CA LEU A 60 0.457 -5.884 -2.356 1.00 0.00 C ATOM 907 C LEU A 60 0.846 -7.352 -2.167 1.00 0.00 C ATOM 908 O LEU A 60 0.510 -7.973 -1.158 1.00 0.00 O ATOM 909 CB LEU A 60 1.709 -5.002 -2.277 1.00 0.00 C ATOM 910 CG LEU A 60 1.464 -3.533 -1.914 1.00 0.00 C ATOM 911 CD1 LEU A 60 1.272 -3.369 -0.412 1.00 0.00 C ATOM 912 CD2 LEU A 60 2.616 -2.668 -2.402 1.00 0.00 C ATOM 0 H LEU A 60 -0.336 -5.725 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.001 -5.787 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.388 -5.431 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.219 -5.039 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 60 0.549 -3.207 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.100 -2.318 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.413 -3.957 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.165 -3.714 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.428 -1.628 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.543 -2.999 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.704 -2.756 -3.485 1.00 0.00 H new ATOM 924 N SER A 61 1.564 -7.894 -3.155 1.00 0.00 N ATOM 925 CA SER A 61 2.018 -9.287 -3.123 1.00 0.00 C ATOM 926 C SER A 61 3.473 -9.378 -2.683 1.00 0.00 C ATOM 927 O SER A 61 4.332 -8.686 -3.233 1.00 0.00 O ATOM 928 CB SER A 61 1.882 -9.933 -4.504 1.00 0.00 C ATOM 929 OG SER A 61 2.006 -8.973 -5.541 1.00 0.00 O ATOM 0 H SER A 61 1.845 -7.384 -3.993 1.00 0.00 H new ATOM 0 HA SER A 61 1.390 -9.816 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.646 -10.701 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.915 -10.430 -4.581 1.00 0.00 H new ATOM 0 HG SER A 61 2.759 -8.377 -5.346 1.00 0.00 H new ATOM 935 N ALA A 62 3.748 -10.242 -1.700 1.00 0.00 N ATOM 936 CA ALA A 62 5.110 -10.424 -1.200 1.00 0.00 C ATOM 937 C ALA A 62 5.391 -11.875 -0.803 1.00 0.00 C ATOM 938 O ALA A 62 4.533 -12.558 -0.239 1.00 0.00 O ATOM 939 CB ALA A 62 5.361 -9.504 -0.016 1.00 0.00 C ATOM 0 H ALA A 62 3.048 -10.822 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 62 5.790 -10.169 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.378 -9.648 0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.230 -8.467 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.654 -9.736 0.781 1.00 0.00 H new ATOM 945 N LYS A 63 6.614 -12.325 -1.098 1.00 0.00 N ATOM 946 CA LYS A 63 7.057 -13.676 -0.773 1.00 0.00 C ATOM 947 C LYS A 63 8.522 -13.668 -0.331 1.00 0.00 C ATOM 948 O LYS A 63 9.233 -12.673 -0.515 1.00 0.00 O ATOM 949 CB LYS A 63 6.853 -14.633 -1.956 1.00 0.00 C ATOM 950 CG LYS A 63 7.271 -14.078 -3.309 1.00 0.00 C ATOM 951 CD LYS A 63 8.783 -14.030 -3.462 1.00 0.00 C ATOM 952 CE LYS A 63 9.260 -12.638 -3.851 1.00 0.00 C ATOM 953 NZ LYS A 63 9.434 -12.495 -5.325 1.00 0.00 N ATOM 0 H LYS A 63 7.321 -11.760 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 63 6.446 -14.038 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.415 -15.547 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.800 -14.910 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.846 -14.695 -4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.862 -13.075 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.254 -14.329 -2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.096 -14.748 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.542 -11.898 -3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.206 -12.427 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.760 -11.532 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.138 -13.183 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.526 -12.670 -5.800 1.00 0.00 H new ATOM 967 N HIS A 64 8.958 -14.770 0.274 1.00 0.00 N ATOM 968 CA HIS A 64 10.329 -14.895 0.758 1.00 0.00 C ATOM 969 C HIS A 64 11.238 -15.585 -0.267 1.00 0.00 C ATOM 970 O HIS A 64 12.461 -15.547 -0.130 1.00 0.00 O ATOM 971 CB HIS A 64 10.350 -15.672 2.074 1.00 0.00 C ATOM 972 CG HIS A 64 9.871 -14.882 3.253 1.00 0.00 C ATOM 973 ND1 HIS A 64 9.761 -15.415 4.519 1.00 0.00 N ATOM 974 CD2 HIS A 64 9.468 -13.593 3.354 1.00 0.00 C ATOM 975 CE1 HIS A 64 9.310 -14.490 5.346 1.00 0.00 C ATOM 976 NE2 HIS A 64 9.124 -13.375 4.665 1.00 0.00 N ATOM 0 H HIS A 64 8.378 -15.592 0.441 1.00 0.00 H new ATOM 0 HA HIS A 64 10.714 -13.888 0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.729 -16.562 1.969 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.367 -16.013 2.267 1.00 0.00 H new ATOM 0 HD2 HIS A 64 9.425 -12.871 2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.125 -14.623 6.402 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.781 -12.495 5.050 1.00 0.00 H new ATOM 985 N SER A 65 10.647 -16.217 -1.289 1.00 0.00 N ATOM 986 CA SER A 65 11.435 -16.908 -2.313 1.00 0.00 C ATOM 987 C SER A 65 10.695 -16.992 -3.650 1.00 0.00 C ATOM 988 O SER A 65 9.463 -17.040 -3.697 1.00 0.00 O ATOM 989 CB SER A 65 11.817 -18.316 -1.853 1.00 0.00 C ATOM 990 OG SER A 65 10.962 -18.776 -0.824 1.00 0.00 O ATOM 0 H SER A 65 9.637 -16.263 -1.427 1.00 0.00 H new ATOM 0 HA SER A 65 12.339 -16.318 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.771 -19.001 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.848 -18.317 -1.498 1.00 0.00 H new ATOM 0 HG SER A 65 10.948 -19.756 -0.824 1.00 0.00 H new ATOM 996 N PRO A 66 11.462 -17.028 -4.757 1.00 0.00 N ATOM 997 CA PRO A 66 10.918 -17.114 -6.120 1.00 0.00 C ATOM 998 C PRO A 66 10.153 -18.410 -6.377 1.00 0.00 C ATOM 999 O PRO A 66 9.139 -18.410 -7.074 1.00 0.00 O ATOM 1000 CB PRO A 66 12.160 -17.060 -7.022 1.00 0.00 C ATOM 1001 CG PRO A 66 13.272 -16.579 -6.153 1.00 0.00 C ATOM 1002 CD PRO A 66 12.929 -17.001 -4.755 1.00 0.00 C ATOM 0 HA PRO A 66 10.200 -16.314 -6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.385 -18.042 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.003 -16.386 -7.864 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.223 -17.009 -6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.375 -15.496 -6.218 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.348 -17.978 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.317 -16.299 -4.017 1.00 0.00 H new ATOM 1010 N HIS A 67 10.652 -19.513 -5.818 1.00 0.00 N ATOM 1011 CA HIS A 67 10.022 -20.821 -5.997 1.00 0.00 C ATOM 1012 C HIS A 67 8.827 -21.025 -5.058 1.00 0.00 C ATOM 1013 O HIS A 67 8.293 -22.133 -4.973 1.00 0.00 O ATOM 1014 CB HIS A 67 11.051 -21.936 -5.784 1.00 0.00 C ATOM 1015 CG HIS A 67 12.068 -22.036 -6.880 1.00 0.00 C ATOM 1016 ND1 HIS A 67 12.470 -23.237 -7.426 1.00 0.00 N ATOM 1017 CD2 HIS A 67 12.770 -21.078 -7.530 1.00 0.00 C ATOM 1018 CE1 HIS A 67 13.376 -23.013 -8.360 1.00 0.00 C ATOM 1019 NE2 HIS A 67 13.575 -21.711 -8.444 1.00 0.00 N ATOM 0 H HIS A 67 11.491 -19.526 -5.238 1.00 0.00 H new ATOM 0 HA HIS A 67 9.644 -20.860 -7.019 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.565 -21.768 -4.838 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.528 -22.889 -5.698 1.00 0.00 H new ATOM 0 HD2 HIS A 67 12.708 -20.013 -7.361 1.00 0.00 H new ATOM 0 HE1 HIS A 67 13.870 -23.767 -8.954 1.00 0.00 H new ATOM 0 HE2 HIS A 67 14.222 -21.250 -9.084 1.00 0.00 H new ATOM 1028 N GLU A 68 8.400 -19.966 -4.357 1.00 0.00 N ATOM 1029 CA GLU A 68 7.265 -20.071 -3.444 1.00 0.00 C ATOM 1030 C GLU A 68 6.174 -19.058 -3.780 1.00 0.00 C ATOM 1031 O GLU A 68 6.376 -18.144 -4.580 1.00 0.00 O ATOM 1032 CB GLU A 68 7.719 -19.904 -1.998 1.00 0.00 C ATOM 1033 CG GLU A 68 8.068 -21.224 -1.333 1.00 0.00 C ATOM 1034 CD GLU A 68 8.875 -21.056 -0.061 1.00 0.00 C ATOM 1035 OE1 GLU A 68 8.293 -20.641 0.963 1.00 0.00 O ATOM 1036 OE2 GLU A 68 10.088 -21.344 -0.088 1.00 0.00 O ATOM 0 H GLU A 68 8.821 -19.038 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 68 6.840 -21.068 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.588 -19.247 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.929 -19.413 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.148 -21.762 -1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.631 -21.839 -2.035 1.00 0.00 H new ATOM 1043 N PHE A 69 5.010 -19.258 -3.171 1.00 0.00 N ATOM 1044 CA PHE A 69 3.842 -18.408 -3.391 1.00 0.00 C ATOM 1045 C PHE A 69 4.004 -17.001 -2.829 1.00 0.00 C ATOM 1046 O PHE A 69 4.885 -16.735 -2.014 1.00 0.00 O ATOM 1047 CB PHE A 69 2.618 -19.045 -2.737 1.00 0.00 C ATOM 1048 CG PHE A 69 1.909 -20.036 -3.601 1.00 0.00 C ATOM 1049 CD1 PHE A 69 2.603 -21.055 -4.232 1.00 0.00 C ATOM 1050 CD2 PHE A 69 0.542 -19.947 -3.774 1.00 0.00 C ATOM 1051 CE1 PHE A 69 1.936 -21.969 -5.024 1.00 0.00 C ATOM 1052 CE2 PHE A 69 -0.130 -20.852 -4.561 1.00 0.00 C ATOM 1053 CZ PHE A 69 0.566 -21.868 -5.190 1.00 0.00 C ATOM 0 H PHE A 69 4.848 -20.016 -2.508 1.00 0.00 H new ATOM 0 HA PHE A 69 3.723 -18.322 -4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.928 -19.539 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.918 -18.258 -2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.672 -21.135 -4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.007 -19.156 -3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.483 -22.761 -5.513 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.199 -20.770 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.042 -22.581 -5.809 1.00 0.00 H new ATOM 1063 N SER A 70 3.094 -16.123 -3.258 1.00 0.00 N ATOM 1064 CA SER A 70 3.047 -14.737 -2.806 1.00 0.00 C ATOM 1065 C SER A 70 1.703 -14.480 -2.138 1.00 0.00 C ATOM 1066 O SER A 70 0.657 -14.826 -2.690 1.00 0.00 O ATOM 1067 CB SER A 70 3.214 -13.765 -3.978 1.00 0.00 C ATOM 1068 OG SER A 70 4.168 -14.236 -4.913 1.00 0.00 O ATOM 0 H SER A 70 2.366 -16.359 -3.933 1.00 0.00 H new ATOM 0 HA SER A 70 3.865 -14.575 -2.104 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.254 -13.625 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.523 -12.790 -3.602 1.00 0.00 H new ATOM 0 HG SER A 70 4.249 -13.594 -5.649 1.00 0.00 H new ATOM 1074 N LYS A 71 1.726 -13.874 -0.961 1.00 0.00 N ATOM 1075 CA LYS A 71 0.491 -13.578 -0.243 1.00 0.00 C ATOM 1076 C LYS A 71 0.235 -12.077 -0.220 1.00 0.00 C ATOM 1077 O LYS A 71 1.167 -11.278 -0.344 1.00 0.00 O ATOM 1078 CB LYS A 71 0.540 -14.144 1.178 1.00 0.00 C ATOM 1079 CG LYS A 71 0.585 -15.668 1.228 1.00 0.00 C ATOM 1080 CD LYS A 71 -0.547 -16.307 0.426 1.00 0.00 C ATOM 1081 CE LYS A 71 -1.436 -17.171 1.308 1.00 0.00 C ATOM 1082 NZ LYS A 71 -2.760 -16.536 1.567 1.00 0.00 N ATOM 0 H LYS A 71 2.578 -13.579 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.335 -14.058 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.417 -13.746 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.334 -13.797 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.543 -16.014 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.524 -15.997 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.146 -15.527 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.128 -16.914 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.587 -18.140 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.933 -17.357 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.114 -16.838 2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.657 -15.501 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.434 -16.826 0.830 1.00 0.00 H new ATOM 1096 N PHE A 72 -1.032 -11.694 -0.080 1.00 0.00 N ATOM 1097 CA PHE A 72 -1.396 -10.281 -0.065 1.00 0.00 C ATOM 1098 C PHE A 72 -1.257 -9.694 1.326 1.00 0.00 C ATOM 1099 O PHE A 72 -1.634 -10.324 2.314 1.00 0.00 O ATOM 1100 CB PHE A 72 -2.832 -10.070 -0.556 1.00 0.00 C ATOM 1101 CG PHE A 72 -3.171 -10.812 -1.817 1.00 0.00 C ATOM 1102 CD1 PHE A 72 -2.453 -10.596 -2.981 1.00 0.00 C ATOM 1103 CD2 PHE A 72 -4.214 -11.721 -1.836 1.00 0.00 C ATOM 1104 CE1 PHE A 72 -2.769 -11.275 -4.141 1.00 0.00 C ATOM 1105 CE2 PHE A 72 -4.536 -12.404 -2.992 1.00 0.00 C ATOM 1106 CZ PHE A 72 -3.812 -12.180 -4.147 1.00 0.00 C ATOM 0 H PHE A 72 -1.817 -12.337 0.024 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.710 -9.770 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.521 -10.379 0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.994 -9.005 -0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.637 -9.889 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.783 -11.898 -0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.201 -11.099 -5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.352 -13.112 -2.993 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.061 -12.712 -5.053 1.00 0.00 H new ATOM 1116 N TYR A 73 -0.712 -8.478 1.382 1.00 0.00 N ATOM 1117 CA TYR A 73 -0.505 -7.763 2.636 1.00 0.00 C ATOM 1118 C TYR A 73 -1.158 -6.386 2.564 1.00 0.00 C ATOM 1119 O TYR A 73 -1.086 -5.718 1.534 1.00 0.00 O ATOM 1120 CB TYR A 73 1.001 -7.587 2.911 1.00 0.00 C ATOM 1121 CG TYR A 73 1.833 -8.853 2.802 1.00 0.00 C ATOM 1122 CD1 TYR A 73 1.252 -10.110 2.878 1.00 0.00 C ATOM 1123 CD2 TYR A 73 3.210 -8.785 2.632 1.00 0.00 C ATOM 1124 CE1 TYR A 73 2.007 -11.257 2.782 1.00 0.00 C ATOM 1125 CE2 TYR A 73 3.972 -9.932 2.540 1.00 0.00 C ATOM 1126 CZ TYR A 73 3.367 -11.164 2.613 1.00 0.00 C ATOM 1127 OH TYR A 73 4.127 -12.307 2.522 1.00 0.00 O ATOM 0 H TYR A 73 -0.403 -7.963 0.557 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.955 -8.344 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.397 -6.850 2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.125 -7.176 3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.184 -10.191 3.016 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.691 -7.820 2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.532 -12.225 2.839 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.042 -9.862 2.411 1.00 0.00 H new ATOM 0 HH TYR A 73 4.329 -12.491 1.581 1.00 0.00 H new ATOM 1137 N ASN A 74 -1.777 -5.962 3.661 1.00 0.00 N ATOM 1138 CA ASN A 74 -2.426 -4.657 3.728 1.00 0.00 C ATOM 1139 C ASN A 74 -1.675 -3.737 4.688 1.00 0.00 C ATOM 1140 O ASN A 74 -1.549 -4.034 5.877 1.00 0.00 O ATOM 1141 CB ASN A 74 -3.886 -4.805 4.169 1.00 0.00 C ATOM 1142 CG ASN A 74 -4.564 -3.471 4.444 1.00 0.00 C ATOM 1143 OD1 ASN A 74 -5.342 -3.344 5.389 1.00 0.00 O ATOM 1144 ND2 ASN A 74 -4.280 -2.468 3.617 1.00 0.00 N ATOM 0 H ASN A 74 -1.843 -6.507 4.521 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.407 -4.213 2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.441 -5.335 3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -3.927 -5.419 5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.713 -1.555 3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.630 -2.612 2.845 1.00 0.00 H new ATOM 1151 N VAL A 75 -1.175 -2.622 4.162 1.00 0.00 N ATOM 1152 CA VAL A 75 -0.433 -1.659 4.970 1.00 0.00 C ATOM 1153 C VAL A 75 -0.978 -0.243 4.794 1.00 0.00 C ATOM 1154 O VAL A 75 -1.631 0.068 3.789 1.00 0.00 O ATOM 1155 CB VAL A 75 1.072 -1.661 4.619 1.00 0.00 C ATOM 1156 CG1 VAL A 75 1.690 -3.022 4.885 1.00 0.00 C ATOM 1157 CG2 VAL A 75 1.296 -1.248 3.173 1.00 0.00 C ATOM 0 H VAL A 75 -1.270 -2.363 3.180 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.559 -1.967 6.008 1.00 0.00 H new ATOM 0 HB VAL A 75 1.563 -0.931 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.749 -2.997 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.577 -3.273 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.188 -3.775 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.364 -1.258 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.783 -1.946 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.903 -0.244 3.016 1.00 0.00 H new ATOM 1167 N VAL A 76 -0.685 0.609 5.776 1.00 0.00 N ATOM 1168 CA VAL A 76 -1.109 2.004 5.755 1.00 0.00 C ATOM 1169 C VAL A 76 0.113 2.912 5.699 1.00 0.00 C ATOM 1170 O VAL A 76 1.027 2.777 6.515 1.00 0.00 O ATOM 1171 CB VAL A 76 -1.949 2.374 6.997 1.00 0.00 C ATOM 1172 CG1 VAL A 76 -2.623 3.726 6.808 1.00 0.00 C ATOM 1173 CG2 VAL A 76 -2.982 1.295 7.295 1.00 0.00 C ATOM 0 H VAL A 76 -0.149 0.351 6.604 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.730 2.141 4.870 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.276 2.444 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.210 3.967 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.864 4.493 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.279 3.687 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.561 1.578 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.650 1.185 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.475 0.349 7.484 1.00 0.00 H new ATOM 1183 N VAL A 77 0.134 3.824 4.731 1.00 0.00 N ATOM 1184 CA VAL A 77 1.259 4.741 4.570 1.00 0.00 C ATOM 1185 C VAL A 77 0.809 6.193 4.586 1.00 0.00 C ATOM 1186 O VAL A 77 -0.271 6.528 4.101 1.00 0.00 O ATOM 1187 CB VAL A 77 2.044 4.486 3.265 1.00 0.00 C ATOM 1188 CG1 VAL A 77 3.394 3.867 3.575 1.00 0.00 C ATOM 1189 CG2 VAL A 77 1.261 3.608 2.304 1.00 0.00 C ATOM 0 H VAL A 77 -0.613 3.948 4.048 1.00 0.00 H new ATOM 0 HA VAL A 77 1.914 4.551 5.420 1.00 0.00 H new ATOM 0 HB VAL A 77 2.201 5.448 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.936 3.693 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.968 4.544 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.249 2.919 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.845 3.450 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.055 2.647 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.320 4.096 2.049 1.00 0.00 H new ATOM 1199 N LEU A 78 1.656 7.050 5.146 1.00 0.00 N ATOM 1200 CA LEU A 78 1.373 8.472 5.233 1.00 0.00 C ATOM 1201 C LEU A 78 2.358 9.274 4.383 1.00 0.00 C ATOM 1202 O LEU A 78 3.574 9.133 4.522 1.00 0.00 O ATOM 1203 CB LEU A 78 1.435 8.922 6.694 1.00 0.00 C ATOM 1204 CG LEU A 78 1.603 10.428 6.914 1.00 0.00 C ATOM 1205 CD1 LEU A 78 0.516 11.205 6.184 1.00 0.00 C ATOM 1206 CD2 LEU A 78 1.582 10.753 8.398 1.00 0.00 C ATOM 0 H LEU A 78 2.552 6.777 5.549 1.00 0.00 H new ATOM 0 HA LEU A 78 0.370 8.655 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.522 8.599 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.264 8.407 7.180 1.00 0.00 H new ATOM 0 HG LEU A 78 2.569 10.727 6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.655 12.273 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.575 10.997 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.462 10.902 6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.703 11.827 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.631 10.436 8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.397 10.229 8.897 1.00 0.00 H new ATOM 1218 N GLU A 79 1.815 10.118 3.509 1.00 0.00 N ATOM 1219 CA GLU A 79 2.623 10.961 2.631 1.00 0.00 C ATOM 1220 C GLU A 79 2.870 12.313 3.304 1.00 0.00 C ATOM 1221 O GLU A 79 1.927 12.955 3.761 1.00 0.00 O ATOM 1222 CB GLU A 79 1.901 11.126 1.280 1.00 0.00 C ATOM 1223 CG GLU A 79 1.973 12.521 0.676 1.00 0.00 C ATOM 1224 CD GLU A 79 0.800 12.822 -0.235 1.00 0.00 C ATOM 1225 OE1 GLU A 79 0.690 12.177 -1.299 1.00 0.00 O ATOM 1226 OE2 GLU A 79 -0.008 13.704 0.116 1.00 0.00 O ATOM 0 H GLU A 79 0.809 10.237 3.390 1.00 0.00 H new ATOM 0 HA GLU A 79 3.591 10.496 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.326 10.417 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.853 10.857 1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.005 13.259 1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.901 12.622 0.113 1.00 0.00 H new ATOM 1233 N LYS A 80 4.135 12.734 3.386 1.00 0.00 N ATOM 1234 CA LYS A 80 4.463 14.006 4.034 1.00 0.00 C ATOM 1235 C LYS A 80 5.283 14.927 3.135 1.00 0.00 C ATOM 1236 O LYS A 80 6.200 14.487 2.434 1.00 0.00 O ATOM 1237 CB LYS A 80 5.219 13.763 5.341 1.00 0.00 C ATOM 1238 CG LYS A 80 4.403 14.073 6.585 1.00 0.00 C ATOM 1239 CD LYS A 80 4.279 12.857 7.489 1.00 0.00 C ATOM 1240 CE LYS A 80 5.538 12.642 8.314 1.00 0.00 C ATOM 1241 NZ LYS A 80 5.575 13.518 9.518 1.00 0.00 N ATOM 0 H LYS A 80 4.937 12.222 3.018 1.00 0.00 H new ATOM 0 HA LYS A 80 3.515 14.503 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.539 12.722 5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.122 14.374 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.872 14.889 7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.409 14.414 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.425 12.983 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.084 11.972 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.594 11.598 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.414 12.839 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.450 13.339 10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.548 14.515 9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.753 13.313 10.122 1.00 0.00 H new ATOM 1255 N ALA A 81 4.953 16.218 3.190 1.00 0.00 N ATOM 1256 CA ALA A 81 5.652 17.237 2.415 1.00 0.00 C ATOM 1257 C ALA A 81 6.774 17.870 3.238 1.00 0.00 C ATOM 1258 O ALA A 81 7.792 18.291 2.688 1.00 0.00 O ATOM 1259 CB ALA A 81 4.676 18.304 1.942 1.00 0.00 C ATOM 0 H ALA A 81 4.198 16.583 3.770 1.00 0.00 H new ATOM 0 HA ALA A 81 6.097 16.758 1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.212 19.058 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.910 17.845 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.205 18.775 2.805 1.00 0.00 H new ATOM 1265 N SER A 82 6.581 17.925 4.562 1.00 0.00 N ATOM 1266 CA SER A 82 7.573 18.495 5.476 1.00 0.00 C ATOM 1267 C SER A 82 8.941 17.835 5.291 1.00 0.00 C ATOM 1268 O SER A 82 9.971 18.508 5.335 1.00 0.00 O ATOM 1269 CB SER A 82 7.104 18.334 6.925 1.00 0.00 C ATOM 1270 OG SER A 82 6.275 19.414 7.315 1.00 0.00 O ATOM 0 H SER A 82 5.740 17.579 5.024 1.00 0.00 H new ATOM 0 HA SER A 82 7.676 19.555 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.559 17.396 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.969 18.278 7.586 1.00 0.00 H new ATOM 0 HG SER A 82 5.987 19.287 8.243 1.00 0.00 H new ATOM 1276 N ASP A 83 8.941 16.516 5.076 1.00 0.00 N ATOM 1277 CA ASP A 83 10.179 15.765 4.872 1.00 0.00 C ATOM 1278 C ASP A 83 10.407 15.451 3.387 1.00 0.00 C ATOM 1279 O ASP A 83 11.438 14.883 3.024 1.00 0.00 O ATOM 1280 CB ASP A 83 10.148 14.462 5.677 1.00 0.00 C ATOM 1281 CG ASP A 83 11.381 14.280 6.538 1.00 0.00 C ATOM 1282 OD1 ASP A 83 12.455 13.972 5.981 1.00 0.00 O ATOM 1283 OD2 ASP A 83 11.273 14.442 7.770 1.00 0.00 O ATOM 0 H ASP A 83 8.095 15.947 5.039 1.00 0.00 H new ATOM 0 HA ASP A 83 11.004 16.387 5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.262 14.452 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.060 13.618 4.993 1.00 0.00 H new ATOM 1288 N ASN A 84 9.441 15.820 2.532 1.00 0.00 N ATOM 1289 CA ASN A 84 9.537 15.575 1.093 1.00 0.00 C ATOM 1290 C ASN A 84 9.793 14.095 0.808 1.00 0.00 C ATOM 1291 O ASN A 84 10.747 13.738 0.114 1.00 0.00 O ATOM 1292 CB ASN A 84 10.641 16.442 0.476 1.00 0.00 C ATOM 1293 CG ASN A 84 10.084 17.644 -0.262 1.00 0.00 C ATOM 1294 OD1 ASN A 84 9.881 17.601 -1.474 1.00 0.00 O ATOM 1295 ND2 ASN A 84 9.830 18.725 0.468 1.00 0.00 N ATOM 0 H ASN A 84 8.583 16.291 2.818 1.00 0.00 H new ATOM 0 HA ASN A 84 8.586 15.847 0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.315 16.782 1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.232 15.838 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.452 19.562 0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.013 18.717 1.471 1.00 0.00 H new ATOM 1302 N SER A 85 8.934 13.234 1.357 1.00 0.00 N ATOM 1303 CA SER A 85 9.067 11.797 1.172 1.00 0.00 C ATOM 1304 C SER A 85 7.843 11.060 1.726 1.00 0.00 C ATOM 1305 O SER A 85 6.864 11.681 2.147 1.00 0.00 O ATOM 1306 CB SER A 85 10.348 11.298 1.854 1.00 0.00 C ATOM 1307 OG SER A 85 10.588 9.929 1.573 1.00 0.00 O ATOM 0 H SER A 85 8.140 13.512 1.933 1.00 0.00 H new ATOM 0 HA SER A 85 9.130 11.589 0.104 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.196 11.894 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.267 11.440 2.932 1.00 0.00 H new ATOM 0 HG SER A 85 11.411 9.643 2.021 1.00 0.00 H new ATOM 1313 N LEU A 86 7.915 9.734 1.722 1.00 0.00 N ATOM 1314 CA LEU A 86 6.829 8.892 2.218 1.00 0.00 C ATOM 1315 C LEU A 86 7.141 8.375 3.620 1.00 0.00 C ATOM 1316 O LEU A 86 8.279 8.456 4.080 1.00 0.00 O ATOM 1317 CB LEU A 86 6.583 7.696 1.285 1.00 0.00 C ATOM 1318 CG LEU A 86 6.735 7.949 -0.220 1.00 0.00 C ATOM 1319 CD1 LEU A 86 5.932 9.171 -0.645 1.00 0.00 C ATOM 1320 CD2 LEU A 86 8.199 8.105 -0.606 1.00 0.00 C ATOM 0 H LEU A 86 8.722 9.213 1.378 1.00 0.00 H new ATOM 0 HA LEU A 86 5.931 9.509 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.271 6.899 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.574 7.325 1.467 1.00 0.00 H new ATOM 0 HG LEU A 86 6.341 7.080 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.054 9.332 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.878 9.010 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.289 10.047 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.275 8.283 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.630 8.948 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.742 7.195 -0.350 1.00 0.00 H new ATOM 1332 N LYS A 87 6.122 7.842 4.295 1.00 0.00 N ATOM 1333 CA LYS A 87 6.292 7.307 5.643 1.00 0.00 C ATOM 1334 C LYS A 87 5.349 6.133 5.889 1.00 0.00 C ATOM 1335 O LYS A 87 4.144 6.238 5.665 1.00 0.00 O ATOM 1336 CB LYS A 87 6.054 8.402 6.683 1.00 0.00 C ATOM 1337 CG LYS A 87 6.387 7.979 8.106 1.00 0.00 C ATOM 1338 CD LYS A 87 5.179 7.388 8.818 1.00 0.00 C ATOM 1339 CE LYS A 87 4.196 8.467 9.243 1.00 0.00 C ATOM 1340 NZ LYS A 87 3.210 7.961 10.239 1.00 0.00 N ATOM 0 H LYS A 87 5.172 7.770 3.930 1.00 0.00 H new ATOM 0 HA LYS A 87 7.316 6.947 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.654 9.274 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.009 8.710 6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.193 7.245 8.088 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.753 8.840 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.679 6.679 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.509 6.830 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.743 9.308 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.667 8.841 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.294 8.430 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.096 6.934 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.551 8.166 11.200 1.00 0.00 H new ATOM 1354 N LEU A 88 5.905 5.020 6.360 1.00 0.00 N ATOM 1355 CA LEU A 88 5.114 3.828 6.648 1.00 0.00 C ATOM 1356 C LEU A 88 4.465 3.938 8.028 1.00 0.00 C ATOM 1357 O LEU A 88 5.154 4.101 9.036 1.00 0.00 O ATOM 1358 CB LEU A 88 6.000 2.578 6.573 1.00 0.00 C ATOM 1359 CG LEU A 88 5.297 1.265 6.201 1.00 0.00 C ATOM 1360 CD1 LEU A 88 6.088 0.074 6.724 1.00 0.00 C ATOM 1361 CD2 LEU A 88 3.874 1.231 6.737 1.00 0.00 C ATOM 0 H LEU A 88 6.902 4.919 6.550 1.00 0.00 H new ATOM 0 HA LEU A 88 4.324 3.744 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.789 2.762 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.485 2.444 7.540 1.00 0.00 H new ATOM 0 HG LEU A 88 5.248 1.206 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.577 -0.850 6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.086 0.079 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.168 0.139 7.809 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.402 0.289 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.892 1.319 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.306 2.060 6.315 1.00 0.00 H new ATOM 1373 N VAL A 89 3.135 3.852 8.064 1.00 0.00 N ATOM 1374 CA VAL A 89 2.389 3.944 9.320 1.00 0.00 C ATOM 1375 C VAL A 89 2.344 2.590 10.027 1.00 0.00 C ATOM 1376 O VAL A 89 2.735 2.477 11.188 1.00 0.00 O ATOM 1377 CB VAL A 89 0.940 4.439 9.097 1.00 0.00 C ATOM 1378 CG1 VAL A 89 0.363 4.997 10.388 1.00 0.00 C ATOM 1379 CG2 VAL A 89 0.880 5.480 7.987 1.00 0.00 C ATOM 0 H VAL A 89 2.552 3.719 7.238 1.00 0.00 H new ATOM 0 HA VAL A 89 2.915 4.669 9.942 1.00 0.00 H new ATOM 0 HB VAL A 89 0.336 3.586 8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.656 5.340 10.212 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.357 4.218 11.151 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.974 5.833 10.728 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.150 5.810 7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.502 6.334 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.245 5.043 7.058 1.00 0.00 H new ATOM 1389 N ALA A 90 1.865 1.566 9.317 1.00 0.00 N ATOM 1390 CA ALA A 90 1.768 0.218 9.876 1.00 0.00 C ATOM 1391 C ALA A 90 1.783 -0.844 8.775 1.00 0.00 C ATOM 1392 O ALA A 90 1.431 -0.566 7.627 1.00 0.00 O ATOM 1393 CB ALA A 90 0.510 0.087 10.722 1.00 0.00 C ATOM 0 H ALA A 90 1.539 1.646 8.354 1.00 0.00 H new ATOM 0 HA ALA A 90 2.639 0.054 10.510 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.450 -0.921 11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.543 0.809 11.538 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.366 0.279 10.103 1.00 0.00 H new ATOM 1399 N PHE A 91 2.189 -2.062 9.139 1.00 0.00 N ATOM 1400 CA PHE A 91 2.251 -3.173 8.192 1.00 0.00 C ATOM 1401 C PHE A 91 1.436 -4.360 8.705 1.00 0.00 C ATOM 1402 O PHE A 91 1.656 -4.846 9.816 1.00 0.00 O ATOM 1403 CB PHE A 91 3.716 -3.568 7.936 1.00 0.00 C ATOM 1404 CG PHE A 91 3.936 -4.333 6.657 1.00 0.00 C ATOM 1405 CD1 PHE A 91 3.251 -5.512 6.405 1.00 0.00 C ATOM 1406 CD2 PHE A 91 4.827 -3.865 5.704 1.00 0.00 C ATOM 1407 CE1 PHE A 91 3.451 -6.207 5.228 1.00 0.00 C ATOM 1408 CE2 PHE A 91 5.032 -4.557 4.525 1.00 0.00 C ATOM 1409 CZ PHE A 91 4.342 -5.730 4.287 1.00 0.00 C ATOM 0 H PHE A 91 2.480 -2.303 10.086 1.00 0.00 H new ATOM 0 HA PHE A 91 1.815 -2.857 7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.326 -2.665 7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.069 -4.171 8.772 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.553 -5.891 7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.368 -2.948 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.910 -7.124 5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.730 -4.181 3.791 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.499 -6.273 3.367 1.00 0.00 H new ATOM 1419 N VAL A 92 0.468 -4.801 7.895 1.00 0.00 N ATOM 1420 CA VAL A 92 -0.413 -5.907 8.274 1.00 0.00 C ATOM 1421 C VAL A 92 -0.532 -6.950 7.160 1.00 0.00 C ATOM 1422 O VAL A 92 -0.566 -6.606 5.979 1.00 0.00 O ATOM 1423 CB VAL A 92 -1.824 -5.378 8.615 1.00 0.00 C ATOM 1424 CG1 VAL A 92 -2.655 -6.441 9.319 1.00 0.00 C ATOM 1425 CG2 VAL A 92 -1.731 -4.117 9.462 1.00 0.00 C ATOM 0 H VAL A 92 0.276 -4.408 6.973 1.00 0.00 H new ATOM 0 HA VAL A 92 0.031 -6.382 9.148 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.326 -5.129 7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.643 -6.039 9.546 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.757 -7.311 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.161 -6.735 10.245 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.734 -3.759 9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.203 -4.340 10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.189 -3.348 8.912 1.00 0.00 H new ATOM 1435 N PRO A 93 -0.606 -8.246 7.526 1.00 0.00 N ATOM 1436 CA PRO A 93 -0.736 -9.339 6.564 1.00 0.00 C ATOM 1437 C PRO A 93 -2.196 -9.620 6.203 1.00 0.00 C ATOM 1438 O PRO A 93 -3.065 -9.616 7.077 1.00 0.00 O ATOM 1439 CB PRO A 93 -0.137 -10.516 7.328 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.485 -10.252 8.755 1.00 0.00 C ATOM 1441 CD PRO A 93 -0.572 -8.752 8.914 1.00 0.00 C ATOM 0 HA PRO A 93 -0.249 -9.125 5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.553 -11.464 6.987 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.942 -10.573 7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.433 -10.724 9.015 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.271 -10.668 9.421 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.465 -8.460 9.467 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.285 -8.358 9.461 1.00 0.00 H new ATOM 1449 N LEU A 94 -2.463 -9.869 4.919 1.00 0.00 N ATOM 1450 CA LEU A 94 -3.826 -10.158 4.470 1.00 0.00 C ATOM 1451 C LEU A 94 -4.014 -11.647 4.151 1.00 0.00 C ATOM 1452 O LEU A 94 -4.938 -12.016 3.424 1.00 0.00 O ATOM 1453 CB LEU A 94 -4.194 -9.315 3.239 1.00 0.00 C ATOM 1454 CG LEU A 94 -4.661 -7.881 3.516 1.00 0.00 C ATOM 1455 CD1 LEU A 94 -5.801 -7.508 2.581 1.00 0.00 C ATOM 1456 CD2 LEU A 94 -5.089 -7.707 4.967 1.00 0.00 C ATOM 0 H LEU A 94 -1.761 -9.876 4.179 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.492 -9.895 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.326 -9.272 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.982 -9.833 2.692 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.819 -7.213 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.123 -6.487 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.462 -7.578 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.637 -8.190 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.414 -6.679 5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.912 -8.387 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.248 -7.930 5.624 1.00 0.00 H new ATOM 1468 N PHE A 95 -3.141 -12.499 4.695 1.00 0.00 N ATOM 1469 CA PHE A 95 -3.223 -13.941 4.455 1.00 0.00 C ATOM 1470 C PHE A 95 -3.646 -14.695 5.716 1.00 0.00 C ATOM 1471 O PHE A 95 -4.460 -15.633 5.594 1.00 0.00 O ATOM 1472 CB PHE A 95 -1.880 -14.473 3.939 1.00 0.00 C ATOM 1473 CG PHE A 95 -0.715 -14.186 4.848 1.00 0.00 C ATOM 1474 CD1 PHE A 95 -0.367 -15.073 5.855 1.00 0.00 C ATOM 1475 CD2 PHE A 95 0.030 -13.029 4.694 1.00 0.00 C ATOM 1476 CE1 PHE A 95 0.702 -14.810 6.689 1.00 0.00 C ATOM 1477 CE2 PHE A 95 1.100 -12.762 5.525 1.00 0.00 C ATOM 1478 CZ PHE A 95 1.436 -13.653 6.523 1.00 0.00 C ATOM 1479 OXT PHE A 95 -3.162 -14.343 6.814 1.00 0.00 O ATOM 0 H PHE A 95 -2.372 -12.216 5.302 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.986 -14.110 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.959 -15.551 3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.680 -14.036 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.938 -15.980 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.229 -12.327 3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.963 -15.509 7.470 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.673 -11.856 5.394 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.273 -13.445 7.174 1.00 0.00 H new