USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 TYR OH : rot 73:sc= 0.219 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.502 K(o=0.5,f=-0.15) USER MOD Single : A 21 ASN : amide:sc= -2.32 K(o=-2.3,f=-14!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 51 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 1.763 8.324 -0.668 1.00 0.00 N ATOM 94 CA GLU A 10 1.664 7.501 -1.868 1.00 0.00 C ATOM 95 C GLU A 10 1.991 6.043 -1.556 1.00 0.00 C ATOM 96 O GLU A 10 2.881 5.753 -0.757 1.00 0.00 O ATOM 97 CB GLU A 10 2.606 8.025 -2.953 1.00 0.00 C ATOM 98 CG GLU A 10 2.016 9.158 -3.776 1.00 0.00 C ATOM 99 CD GLU A 10 1.182 8.660 -4.941 1.00 0.00 C ATOM 100 OE1 GLU A 10 0.466 7.651 -4.771 1.00 0.00 O ATOM 101 OE2 GLU A 10 1.247 9.280 -6.024 1.00 0.00 O ATOM 0 HA GLU A 10 0.638 7.556 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.529 8.369 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.872 7.204 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.398 9.785 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.823 9.786 -4.154 1.00 0.00 H new ATOM 108 N TYR A 11 1.264 5.131 -2.191 1.00 0.00 N ATOM 109 CA TYR A 11 1.473 3.704 -1.980 1.00 0.00 C ATOM 110 C TYR A 11 1.471 2.951 -3.307 1.00 0.00 C ATOM 111 O TYR A 11 0.645 3.215 -4.181 1.00 0.00 O ATOM 112 CB TYR A 11 0.392 3.139 -1.058 1.00 0.00 C ATOM 113 CG TYR A 11 0.618 3.453 0.404 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.194 4.657 0.951 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.256 2.543 1.239 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.399 4.948 2.285 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.464 2.824 2.575 1.00 0.00 C ATOM 118 CZ TYR A 11 1.034 4.028 3.094 1.00 0.00 C ATOM 119 OH TYR A 11 1.240 4.313 4.424 1.00 0.00 O ATOM 0 H TYR A 11 0.524 5.355 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 11 2.447 3.571 -1.509 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.576 3.537 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.346 2.057 -1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.305 5.379 0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.595 1.600 0.836 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.064 5.890 2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.961 2.105 3.210 1.00 0.00 H new ATOM 0 HH TYR A 11 0.390 4.252 4.907 1.00 0.00 H new ATOM 129 N ARG A 12 2.400 2.011 -3.448 1.00 0.00 N ATOM 130 CA ARG A 12 2.506 1.219 -4.667 1.00 0.00 C ATOM 131 C ARG A 12 2.081 -0.225 -4.417 1.00 0.00 C ATOM 132 O ARG A 12 2.607 -0.892 -3.526 1.00 0.00 O ATOM 133 CB ARG A 12 3.939 1.254 -5.201 1.00 0.00 C ATOM 134 CG ARG A 12 4.117 0.521 -6.520 1.00 0.00 C ATOM 135 CD ARG A 12 5.356 0.999 -7.261 1.00 0.00 C ATOM 136 NE ARG A 12 6.586 0.616 -6.573 1.00 0.00 N ATOM 137 CZ ARG A 12 7.775 1.142 -6.846 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.893 2.069 -7.787 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.848 0.742 -6.177 1.00 0.00 N ATOM 0 H ARG A 12 3.090 1.780 -2.733 1.00 0.00 H new ATOM 0 HA ARG A 12 1.837 1.653 -5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.245 2.292 -5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.605 0.815 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.194 -0.550 -6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.237 0.674 -7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.359 0.583 -8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.321 2.084 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 12 6.529 -0.094 -5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.070 2.380 -8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.807 2.471 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.761 0.030 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.760 1.147 -6.387 1.00 0.00 H new ATOM 153 N ALA A 13 1.124 -0.700 -5.207 1.00 0.00 N ATOM 154 CA ALA A 13 0.629 -2.065 -5.072 1.00 0.00 C ATOM 155 C ALA A 13 1.781 -3.062 -4.999 1.00 0.00 C ATOM 156 O ALA A 13 2.866 -2.812 -5.526 1.00 0.00 O ATOM 157 CB ALA A 13 -0.296 -2.408 -6.231 1.00 0.00 C ATOM 0 H ALA A 13 0.676 -0.160 -5.947 1.00 0.00 H new ATOM 0 HA ALA A 13 0.066 -2.131 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.658 -3.430 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.143 -1.721 -6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.249 -2.319 -7.171 1.00 0.00 H new ATOM 163 N LEU A 14 1.539 -4.191 -4.342 1.00 0.00 N ATOM 164 CA LEU A 14 2.557 -5.226 -4.199 1.00 0.00 C ATOM 165 C LEU A 14 2.120 -6.517 -4.885 1.00 0.00 C ATOM 166 O LEU A 14 2.943 -7.245 -5.441 1.00 0.00 O ATOM 167 CB LEU A 14 2.838 -5.491 -2.719 1.00 0.00 C ATOM 168 CG LEU A 14 3.665 -4.430 -1.993 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.618 -4.653 -0.489 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.103 -4.440 -2.490 1.00 0.00 C ATOM 0 H LEU A 14 0.647 -4.413 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 14 3.470 -4.873 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.884 -5.596 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.354 -6.447 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 14 3.234 -3.452 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.212 -3.888 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.586 -4.593 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.022 -5.638 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.676 -3.678 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.545 -5.419 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.120 -4.230 -3.559 1.00 0.00 H new ATOM 182 N TYR A 15 0.822 -6.792 -4.844 1.00 0.00 N ATOM 183 CA TYR A 15 0.276 -7.995 -5.461 1.00 0.00 C ATOM 184 C TYR A 15 -1.103 -7.725 -6.056 1.00 0.00 C ATOM 185 O TYR A 15 -1.960 -7.118 -5.414 1.00 0.00 O ATOM 186 CB TYR A 15 0.187 -9.126 -4.434 1.00 0.00 C ATOM 187 CG TYR A 15 1.410 -9.240 -3.552 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.613 -9.717 -4.057 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.363 -8.869 -2.214 1.00 0.00 C ATOM 190 CE1 TYR A 15 3.733 -9.823 -3.255 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.478 -8.971 -1.404 1.00 0.00 C ATOM 192 CZ TYR A 15 3.660 -9.449 -1.930 1.00 0.00 C ATOM 193 OH TYR A 15 4.774 -9.552 -1.128 1.00 0.00 O ATOM 0 H TYR A 15 0.128 -6.198 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 15 0.947 -8.295 -6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.690 -8.967 -3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.038 -10.070 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.674 -10.010 -5.095 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.439 -8.494 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.660 -10.197 -3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.424 -8.678 -0.366 1.00 0.00 H new ATOM 0 HH TYR A 15 4.555 -9.247 -0.223 1.00 0.00 H new ATOM 203 N ASP A 16 -1.308 -8.180 -7.287 1.00 0.00 N ATOM 204 CA ASP A 16 -2.582 -7.990 -7.970 1.00 0.00 C ATOM 205 C ASP A 16 -3.734 -8.543 -7.136 1.00 0.00 C ATOM 206 O ASP A 16 -3.797 -9.742 -6.864 1.00 0.00 O ATOM 207 CB ASP A 16 -2.557 -8.669 -9.340 1.00 0.00 C ATOM 208 CG ASP A 16 -2.011 -10.082 -9.277 1.00 0.00 C ATOM 209 OD1 ASP A 16 -2.789 -11.005 -8.955 1.00 0.00 O ATOM 210 OD2 ASP A 16 -0.806 -10.264 -9.549 1.00 0.00 O ATOM 0 H ASP A 16 -0.608 -8.683 -7.832 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.737 -6.920 -8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.567 -8.691 -9.750 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.948 -8.078 -10.024 1.00 0.00 H new ATOM 215 N TYR A 17 -4.641 -7.661 -6.732 1.00 0.00 N ATOM 216 CA TYR A 17 -5.789 -8.060 -5.926 1.00 0.00 C ATOM 217 C TYR A 17 -7.091 -7.860 -6.695 1.00 0.00 C ATOM 218 O TYR A 17 -7.321 -6.806 -7.289 1.00 0.00 O ATOM 219 CB TYR A 17 -5.826 -7.260 -4.623 1.00 0.00 C ATOM 220 CG TYR A 17 -7.063 -7.513 -3.792 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.335 -8.776 -3.280 1.00 0.00 C ATOM 222 CD2 TYR A 17 -7.961 -6.488 -3.517 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.465 -9.012 -2.521 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.093 -6.715 -2.758 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.340 -7.978 -2.263 1.00 0.00 C ATOM 226 OH TYR A 17 -10.466 -8.208 -1.506 1.00 0.00 O ATOM 0 H TYR A 17 -4.604 -6.665 -6.949 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.686 -9.120 -5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.944 -7.505 -4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.767 -6.197 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.651 -9.588 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.771 -5.498 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.662 -10.000 -2.132 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.781 -5.908 -2.554 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.976 -7.376 -1.417 1.00 0.00 H new ATOM 236 N THR A 18 -7.943 -8.881 -6.680 1.00 0.00 N ATOM 237 CA THR A 18 -9.222 -8.820 -7.375 1.00 0.00 C ATOM 238 C THR A 18 -10.364 -8.549 -6.403 1.00 0.00 C ATOM 239 O THR A 18 -10.774 -9.432 -5.651 1.00 0.00 O ATOM 240 CB THR A 18 -9.510 -10.127 -8.137 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.446 -10.405 -9.053 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.827 -10.033 -8.894 1.00 0.00 C ATOM 0 H THR A 18 -7.769 -9.760 -6.193 1.00 0.00 H new ATOM 0 HA THR A 18 -9.155 -7.999 -8.089 1.00 0.00 H new ATOM 0 HB THR A 18 -9.584 -10.936 -7.411 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.636 -11.238 -9.532 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.009 -10.968 -9.425 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.639 -9.851 -8.190 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.777 -9.213 -9.610 1.00 0.00 H new ATOM 250 N ALA A 19 -10.875 -7.322 -6.423 1.00 0.00 N ATOM 251 CA ALA A 19 -11.972 -6.936 -5.545 1.00 0.00 C ATOM 252 C ALA A 19 -13.086 -7.977 -5.568 1.00 0.00 C ATOM 253 O ALA A 19 -13.595 -8.329 -6.632 1.00 0.00 O ATOM 254 CB ALA A 19 -12.513 -5.571 -5.945 1.00 0.00 C ATOM 0 H ALA A 19 -10.546 -6.578 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.587 -6.877 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.332 -5.295 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.719 -4.828 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.876 -5.610 -6.972 1.00 0.00 H new ATOM 260 N GLN A 20 -13.458 -8.465 -4.390 1.00 0.00 N ATOM 261 CA GLN A 20 -14.511 -9.467 -4.276 1.00 0.00 C ATOM 262 C GLN A 20 -15.878 -8.855 -4.563 1.00 0.00 C ATOM 263 O GLN A 20 -16.697 -9.443 -5.269 1.00 0.00 O ATOM 264 CB GLN A 20 -14.502 -10.092 -2.880 1.00 0.00 C ATOM 265 CG GLN A 20 -13.171 -10.723 -2.505 1.00 0.00 C ATOM 266 CD GLN A 20 -12.763 -11.833 -3.454 1.00 0.00 C ATOM 267 OE1 GLN A 20 -13.336 -12.923 -3.436 1.00 0.00 O ATOM 268 NE2 GLN A 20 -11.768 -11.561 -4.290 1.00 0.00 N ATOM 0 H GLN A 20 -13.046 -8.183 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.319 -10.245 -5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.751 -9.325 -2.146 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.283 -10.851 -2.826 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.398 -9.954 -2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.235 -11.121 -1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.322 -10.644 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.450 -12.269 -4.952 1.00 0.00 H new ATOM 277 N ASN A 21 -16.118 -7.670 -4.011 1.00 0.00 N ATOM 278 CA ASN A 21 -17.387 -6.979 -4.207 1.00 0.00 C ATOM 279 C ASN A 21 -17.228 -5.814 -5.180 1.00 0.00 C ATOM 280 O ASN A 21 -16.128 -5.308 -5.406 1.00 0.00 O ATOM 281 CB ASN A 21 -17.926 -6.469 -2.868 1.00 0.00 C ATOM 282 CG ASN A 21 -16.818 -6.124 -1.892 1.00 0.00 C ATOM 283 OD1 ASN A 21 -15.818 -5.510 -2.263 1.00 0.00 O ATOM 284 ND2 ASN A 21 -16.991 -6.520 -0.637 1.00 0.00 N ATOM 0 H ASN A 21 -15.451 -7.169 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.097 -7.689 -4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -18.543 -5.587 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.572 -7.228 -2.427 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.279 -6.318 0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.836 -7.027 -0.374 1.00 0.00 H new ATOM 291 N PRO A 22 -18.350 -5.378 -5.770 1.00 0.00 N ATOM 292 CA PRO A 22 -18.362 -4.268 -6.727 1.00 0.00 C ATOM 293 C PRO A 22 -18.073 -2.926 -6.063 1.00 0.00 C ATOM 294 O PRO A 22 -17.975 -1.899 -6.734 1.00 0.00 O ATOM 295 CB PRO A 22 -19.788 -4.294 -7.283 1.00 0.00 C ATOM 296 CG PRO A 22 -20.601 -4.934 -6.212 1.00 0.00 C ATOM 297 CD PRO A 22 -19.696 -5.935 -5.547 1.00 0.00 C ATOM 0 HA PRO A 22 -17.591 -4.379 -7.489 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.145 -3.288 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.840 -4.862 -8.212 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.956 -4.193 -5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.482 -5.421 -6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.919 -6.035 -4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -19.799 -6.926 -5.989 1.00 0.00 H new ATOM 305 N ASP A 23 -17.937 -2.943 -4.741 1.00 0.00 N ATOM 306 CA ASP A 23 -17.658 -1.727 -3.986 1.00 0.00 C ATOM 307 C ASP A 23 -16.156 -1.487 -3.879 1.00 0.00 C ATOM 308 O ASP A 23 -15.686 -0.359 -4.020 1.00 0.00 O ATOM 309 CB ASP A 23 -18.274 -1.817 -2.589 1.00 0.00 C ATOM 310 CG ASP A 23 -19.644 -2.466 -2.600 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.515 -1.999 -3.364 1.00 0.00 O ATOM 312 OD2 ASP A 23 -19.846 -3.440 -1.846 1.00 0.00 O ATOM 0 H ASP A 23 -18.015 -3.785 -4.171 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.105 -0.887 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.611 -2.387 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.353 -0.816 -2.165 1.00 0.00 H new ATOM 317 N GLU A 24 -15.407 -2.557 -3.627 1.00 0.00 N ATOM 318 CA GLU A 24 -13.958 -2.461 -3.498 1.00 0.00 C ATOM 319 C GLU A 24 -13.303 -2.254 -4.861 1.00 0.00 C ATOM 320 O GLU A 24 -13.977 -2.253 -5.893 1.00 0.00 O ATOM 321 CB GLU A 24 -13.397 -3.722 -2.838 1.00 0.00 C ATOM 322 CG GLU A 24 -13.786 -3.868 -1.376 1.00 0.00 C ATOM 323 CD GLU A 24 -13.403 -5.218 -0.802 1.00 0.00 C ATOM 324 OE1 GLU A 24 -13.116 -6.140 -1.593 1.00 0.00 O ATOM 325 OE2 GLU A 24 -13.389 -5.351 0.440 1.00 0.00 O ATOM 0 H GLU A 24 -15.780 -3.499 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.732 -1.599 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.747 -4.596 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.310 -3.710 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.305 -3.081 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.862 -3.726 -1.274 1.00 0.00 H new ATOM 332 N LEU A 25 -11.987 -2.078 -4.858 1.00 0.00 N ATOM 333 CA LEU A 25 -11.240 -1.870 -6.094 1.00 0.00 C ATOM 334 C LEU A 25 -10.169 -2.941 -6.270 1.00 0.00 C ATOM 335 O LEU A 25 -9.858 -3.682 -5.337 1.00 0.00 O ATOM 336 CB LEU A 25 -10.595 -0.483 -6.095 1.00 0.00 C ATOM 337 CG LEU A 25 -11.452 0.656 -6.649 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.776 1.997 -6.411 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.721 0.448 -8.132 1.00 0.00 C ATOM 0 H LEU A 25 -11.415 -2.075 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.938 -1.941 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.314 -0.234 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.674 -0.533 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.407 0.655 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.400 2.795 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.636 2.149 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.807 2.009 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.332 1.268 -8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.775 0.422 -8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.249 -0.495 -8.277 1.00 0.00 H new ATOM 351 N ASP A 26 -9.606 -3.015 -7.471 1.00 0.00 N ATOM 352 CA ASP A 26 -8.566 -3.994 -7.769 1.00 0.00 C ATOM 353 C ASP A 26 -7.201 -3.322 -7.873 1.00 0.00 C ATOM 354 O ASP A 26 -7.048 -2.304 -8.549 1.00 0.00 O ATOM 355 CB ASP A 26 -8.887 -4.730 -9.071 1.00 0.00 C ATOM 356 CG ASP A 26 -8.498 -3.930 -10.299 1.00 0.00 C ATOM 357 OD1 ASP A 26 -7.311 -3.974 -10.683 1.00 0.00 O ATOM 358 OD2 ASP A 26 -9.380 -3.259 -10.874 1.00 0.00 O ATOM 0 H ASP A 26 -9.852 -2.409 -8.254 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.535 -4.715 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.364 -5.686 -9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.954 -4.950 -9.107 1.00 0.00 H new ATOM 363 N LEU A 27 -6.211 -3.897 -7.198 1.00 0.00 N ATOM 364 CA LEU A 27 -4.858 -3.353 -7.213 1.00 0.00 C ATOM 365 C LEU A 27 -3.990 -4.080 -8.235 1.00 0.00 C ATOM 366 O LEU A 27 -4.455 -4.988 -8.925 1.00 0.00 O ATOM 367 CB LEU A 27 -4.228 -3.461 -5.823 1.00 0.00 C ATOM 368 CG LEU A 27 -4.870 -2.610 -4.727 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.345 -3.017 -3.359 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.614 -1.132 -4.981 1.00 0.00 C ATOM 0 H LEU A 27 -6.320 -4.740 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.919 -2.302 -7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.261 -4.505 -5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.176 -3.185 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.947 -2.780 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.813 -2.401 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.581 -4.065 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.264 -2.877 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.078 -0.541 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.540 -0.945 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.040 -0.849 -5.944 1.00 0.00 H new ATOM 382 N SER A 28 -2.727 -3.677 -8.325 1.00 0.00 N ATOM 383 CA SER A 28 -1.794 -4.289 -9.264 1.00 0.00 C ATOM 384 C SER A 28 -0.382 -3.751 -9.055 1.00 0.00 C ATOM 385 O SER A 28 -0.116 -2.571 -9.282 1.00 0.00 O ATOM 386 CB SER A 28 -2.243 -4.031 -10.703 1.00 0.00 C ATOM 387 OG SER A 28 -1.352 -4.626 -11.630 1.00 0.00 O ATOM 0 H SER A 28 -2.326 -2.929 -7.759 1.00 0.00 H new ATOM 0 HA SER A 28 -1.785 -5.364 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.247 -4.430 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.297 -2.957 -10.883 1.00 0.00 H new ATOM 0 HG SER A 28 -1.662 -4.448 -12.542 1.00 0.00 H new ATOM 393 N ALA A 29 0.520 -4.625 -8.622 1.00 0.00 N ATOM 394 CA ALA A 29 1.906 -4.240 -8.385 1.00 0.00 C ATOM 395 C ALA A 29 2.366 -3.196 -9.397 1.00 0.00 C ATOM 396 O ALA A 29 2.522 -3.492 -10.581 1.00 0.00 O ATOM 397 CB ALA A 29 2.810 -5.462 -8.436 1.00 0.00 C ATOM 0 H ALA A 29 0.316 -5.605 -8.428 1.00 0.00 H new ATOM 0 HA ALA A 29 1.969 -3.797 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.842 -5.159 -8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.503 -6.174 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.734 -5.930 -9.417 1.00 0.00 H new ATOM 403 N GLY A 30 2.582 -1.973 -8.923 1.00 0.00 N ATOM 404 CA GLY A 30 3.022 -0.904 -9.800 1.00 0.00 C ATOM 405 C GLY A 30 2.073 0.278 -9.794 1.00 0.00 C ATOM 406 O GLY A 30 2.506 1.431 -9.789 1.00 0.00 O ATOM 0 H GLY A 30 2.460 -1.703 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.014 -0.571 -9.493 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.114 -1.287 -10.816 1.00 0.00 H new ATOM 410 N ASP A 31 0.775 -0.007 -9.797 1.00 0.00 N ATOM 411 CA ASP A 31 -0.238 1.042 -9.793 1.00 0.00 C ATOM 412 C ASP A 31 -0.008 2.015 -8.641 1.00 0.00 C ATOM 413 O ASP A 31 0.130 1.605 -7.488 1.00 0.00 O ATOM 414 CB ASP A 31 -1.636 0.430 -9.688 1.00 0.00 C ATOM 415 CG ASP A 31 -2.135 -0.104 -11.016 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.365 -0.812 -11.699 1.00 0.00 O ATOM 417 OD2 ASP A 31 -3.296 0.187 -11.373 1.00 0.00 O ATOM 0 H ASP A 31 0.400 -0.956 -9.802 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.160 1.592 -10.731 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.622 -0.378 -8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.332 1.183 -9.318 1.00 0.00 H new ATOM 422 N ILE A 32 0.033 3.304 -8.961 1.00 0.00 N ATOM 423 CA ILE A 32 0.246 4.335 -7.953 1.00 0.00 C ATOM 424 C ILE A 32 -1.077 4.933 -7.490 1.00 0.00 C ATOM 425 O ILE A 32 -1.739 5.657 -8.235 1.00 0.00 O ATOM 426 CB ILE A 32 1.149 5.464 -8.484 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.507 4.902 -8.912 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.326 6.542 -7.426 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.277 4.255 -7.782 1.00 0.00 C ATOM 0 H ILE A 32 -0.079 3.659 -9.911 1.00 0.00 H new ATOM 0 HA ILE A 32 0.739 3.853 -7.109 1.00 0.00 H new ATOM 0 HB ILE A 32 0.671 5.912 -9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.354 4.168 -9.703 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.107 5.707 -9.335 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.967 7.333 -7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.353 6.959 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.785 6.108 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.229 3.879 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.461 4.991 -6.999 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.697 3.428 -7.373 1.00 0.00 H new ATOM 441 N LEU A 33 -1.458 4.628 -6.254 1.00 0.00 N ATOM 442 CA LEU A 33 -2.703 5.137 -5.689 1.00 0.00 C ATOM 443 C LEU A 33 -2.430 6.015 -4.472 1.00 0.00 C ATOM 444 O LEU A 33 -1.335 5.991 -3.912 1.00 0.00 O ATOM 445 CB LEU A 33 -3.622 3.978 -5.300 1.00 0.00 C ATOM 446 CG LEU A 33 -3.916 2.956 -6.399 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.828 1.894 -6.446 1.00 0.00 C ATOM 448 CD2 LEU A 33 -5.279 2.316 -6.182 1.00 0.00 C ATOM 0 H LEU A 33 -0.922 4.031 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.196 5.744 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.175 3.454 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.569 4.392 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.929 3.476 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.054 1.176 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.867 2.366 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.782 1.378 -5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.471 1.592 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.294 1.811 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.050 3.086 -6.200 1.00 0.00 H new ATOM 460 N GLU A 34 -3.434 6.787 -4.068 1.00 0.00 N ATOM 461 CA GLU A 34 -3.301 7.671 -2.916 1.00 0.00 C ATOM 462 C GLU A 34 -4.284 7.282 -1.816 1.00 0.00 C ATOM 463 O GLU A 34 -5.477 7.110 -2.066 1.00 0.00 O ATOM 464 CB GLU A 34 -3.534 9.125 -3.332 1.00 0.00 C ATOM 465 CG GLU A 34 -3.224 10.129 -2.234 1.00 0.00 C ATOM 466 CD GLU A 34 -3.852 11.485 -2.490 1.00 0.00 C ATOM 467 OE1 GLU A 34 -3.510 12.115 -3.512 1.00 0.00 O ATOM 468 OE2 GLU A 34 -4.686 11.917 -1.667 1.00 0.00 O ATOM 0 H GLU A 34 -4.347 6.818 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.288 7.569 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.917 9.349 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.573 9.244 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.582 9.741 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.144 10.244 -2.146 1.00 0.00 H new ATOM 475 N VAL A 35 -3.774 7.145 -0.596 1.00 0.00 N ATOM 476 CA VAL A 35 -4.606 6.777 0.544 1.00 0.00 C ATOM 477 C VAL A 35 -5.218 8.010 1.198 1.00 0.00 C ATOM 478 O VAL A 35 -4.503 8.891 1.676 1.00 0.00 O ATOM 479 CB VAL A 35 -3.799 5.997 1.599 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.537 6.758 1.976 1.00 0.00 C ATOM 481 CG2 VAL A 35 -4.653 5.723 2.827 1.00 0.00 C ATOM 0 H VAL A 35 -2.789 7.283 -0.372 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.403 6.139 0.162 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.503 5.040 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.980 6.192 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.918 6.898 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.808 7.731 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.067 5.171 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.981 6.668 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.524 5.133 2.540 1.00 0.00 H new ATOM 491 N ILE A 36 -6.546 8.066 1.216 1.00 0.00 N ATOM 492 CA ILE A 36 -7.255 9.190 1.813 1.00 0.00 C ATOM 493 C ILE A 36 -7.377 9.023 3.324 1.00 0.00 C ATOM 494 O ILE A 36 -7.297 9.996 4.076 1.00 0.00 O ATOM 495 CB ILE A 36 -8.663 9.353 1.210 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.573 9.538 -0.306 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.381 10.531 1.852 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.852 10.801 -0.719 1.00 0.00 C ATOM 0 H ILE A 36 -7.152 7.345 0.824 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.670 10.083 1.595 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.237 8.449 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.061 8.679 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.580 9.552 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.375 10.633 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.472 10.361 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.812 11.444 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.826 10.866 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.376 11.668 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.833 10.781 -0.333 1.00 0.00 H new ATOM 510 N LEU A 37 -7.570 7.784 3.763 1.00 0.00 N ATOM 511 CA LEU A 37 -7.701 7.488 5.185 1.00 0.00 C ATOM 512 C LEU A 37 -7.167 6.096 5.503 1.00 0.00 C ATOM 513 O LEU A 37 -7.202 5.200 4.660 1.00 0.00 O ATOM 514 CB LEU A 37 -9.165 7.596 5.616 1.00 0.00 C ATOM 515 CG LEU A 37 -9.412 7.822 7.107 1.00 0.00 C ATOM 516 CD1 LEU A 37 -9.033 9.242 7.501 1.00 0.00 C ATOM 517 CD2 LEU A 37 -10.866 7.540 7.457 1.00 0.00 C ATOM 0 H LEU A 37 -7.639 6.968 3.154 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.111 8.218 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.626 8.415 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.679 6.682 5.318 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.784 7.130 7.668 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.215 9.385 8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.977 9.409 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.635 9.950 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.023 7.706 8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.513 8.206 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.105 6.505 7.212 1.00 0.00 H new ATOM 529 N GLU A 38 -6.674 5.921 6.726 1.00 0.00 N ATOM 530 CA GLU A 38 -6.134 4.636 7.155 1.00 0.00 C ATOM 531 C GLU A 38 -7.137 3.889 8.029 1.00 0.00 C ATOM 532 O GLU A 38 -7.791 4.480 8.886 1.00 0.00 O ATOM 533 CB GLU A 38 -4.825 4.839 7.921 1.00 0.00 C ATOM 534 CG GLU A 38 -3.646 5.192 7.029 1.00 0.00 C ATOM 535 CD GLU A 38 -3.577 6.673 6.713 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.942 7.485 7.589 1.00 0.00 O ATOM 537 OE2 GLU A 38 -3.157 7.021 5.589 1.00 0.00 O ATOM 0 H GLU A 38 -6.638 6.652 7.436 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.937 4.038 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.963 5.631 8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.592 3.929 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.721 4.885 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.718 4.629 6.099 1.00 0.00 H new ATOM 544 N GLY A 39 -7.252 2.583 7.803 1.00 0.00 N ATOM 545 CA GLY A 39 -8.177 1.776 8.577 1.00 0.00 C ATOM 546 C GLY A 39 -7.493 1.034 9.708 1.00 0.00 C ATOM 547 O GLY A 39 -6.491 0.352 9.495 1.00 0.00 O ATOM 0 H GLY A 39 -6.722 2.071 7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.958 2.416 8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.666 1.058 7.919 1.00 0.00 H new ATOM 551 N GLU A 40 -8.034 1.169 10.915 1.00 0.00 N ATOM 552 CA GLU A 40 -7.467 0.508 12.084 1.00 0.00 C ATOM 553 C GLU A 40 -7.551 -1.010 11.945 1.00 0.00 C ATOM 554 O GLU A 40 -6.627 -1.730 12.321 1.00 0.00 O ATOM 555 CB GLU A 40 -8.194 0.955 13.354 1.00 0.00 C ATOM 556 CG GLU A 40 -9.676 0.619 13.357 1.00 0.00 C ATOM 557 CD GLU A 40 -10.486 1.561 14.225 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.133 1.725 15.412 1.00 0.00 O ATOM 559 OE2 GLU A 40 -11.473 2.135 13.719 1.00 0.00 O ATOM 0 H GLU A 40 -8.864 1.730 11.108 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.417 0.792 12.156 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.722 0.486 14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.074 2.032 13.471 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.055 0.656 12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.812 -0.403 13.711 1.00 0.00 H new ATOM 566 N ASP A 41 -8.666 -1.487 11.403 1.00 0.00 N ATOM 567 CA ASP A 41 -8.872 -2.918 11.213 1.00 0.00 C ATOM 568 C ASP A 41 -7.958 -3.459 10.118 1.00 0.00 C ATOM 569 O ASP A 41 -7.353 -4.519 10.268 1.00 0.00 O ATOM 570 CB ASP A 41 -10.333 -3.203 10.861 1.00 0.00 C ATOM 571 CG ASP A 41 -11.298 -2.349 11.660 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.587 -2.709 12.820 1.00 0.00 O ATOM 573 OD2 ASP A 41 -11.765 -1.322 11.125 1.00 0.00 O ATOM 0 H ASP A 41 -9.441 -0.904 11.087 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.626 -3.422 12.148 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.489 -3.024 9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.549 -4.256 11.042 1.00 0.00 H new ATOM 578 N GLY A 42 -7.863 -2.721 9.016 1.00 0.00 N ATOM 579 CA GLY A 42 -7.021 -3.143 7.912 1.00 0.00 C ATOM 580 C GLY A 42 -7.509 -2.617 6.577 1.00 0.00 C ATOM 581 O GLY A 42 -6.790 -2.674 5.579 1.00 0.00 O ATOM 0 H GLY A 42 -8.354 -1.839 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.001 -2.798 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.988 -4.232 7.880 1.00 0.00 H new ATOM 585 N TRP A 43 -8.735 -2.105 6.557 1.00 0.00 N ATOM 586 CA TRP A 43 -9.319 -1.568 5.333 1.00 0.00 C ATOM 587 C TRP A 43 -8.836 -0.144 5.079 1.00 0.00 C ATOM 588 O TRP A 43 -9.257 0.794 5.756 1.00 0.00 O ATOM 589 CB TRP A 43 -10.846 -1.594 5.418 1.00 0.00 C ATOM 590 CG TRP A 43 -11.428 -2.961 5.221 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.214 -3.652 6.099 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.268 -3.804 4.075 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.552 -4.873 5.567 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.985 -4.990 4.326 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.590 -3.671 2.860 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.041 -6.034 3.407 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.646 -4.709 1.949 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.368 -5.877 2.225 1.00 0.00 C ATOM 0 H TRP A 43 -9.343 -2.051 7.374 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.998 -2.195 4.501 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.155 -1.212 6.391 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.256 -0.920 4.666 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.524 -3.292 7.069 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.131 -5.578 6.023 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.032 -2.773 2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.596 -6.936 3.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.124 -4.618 1.008 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.394 -6.669 1.491 1.00 0.00 H new ATOM 609 N TRP A 44 -7.953 0.011 4.100 1.00 0.00 N ATOM 610 CA TRP A 44 -7.413 1.322 3.757 1.00 0.00 C ATOM 611 C TRP A 44 -8.193 1.946 2.605 1.00 0.00 C ATOM 612 O TRP A 44 -8.556 1.265 1.645 1.00 0.00 O ATOM 613 CB TRP A 44 -5.934 1.206 3.385 1.00 0.00 C ATOM 614 CG TRP A 44 -5.025 1.154 4.575 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.203 0.417 5.711 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.797 1.871 4.748 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.159 0.632 6.579 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.284 1.519 6.011 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.081 2.774 3.957 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.089 2.040 6.500 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.896 3.290 4.444 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.408 2.922 5.705 1.00 0.00 C ATOM 0 H TRP A 44 -7.595 -0.755 3.529 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.510 1.968 4.630 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.787 0.308 2.785 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.656 2.055 2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.041 -0.238 5.900 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.053 0.201 7.497 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.448 3.063 2.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.713 1.758 7.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.335 3.990 3.842 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.477 3.342 6.056 1.00 0.00 H new ATOM 633 N THR A 45 -8.447 3.247 2.704 1.00 0.00 N ATOM 634 CA THR A 45 -9.184 3.963 1.671 1.00 0.00 C ATOM 635 C THR A 45 -8.236 4.640 0.688 1.00 0.00 C ATOM 636 O THR A 45 -7.551 5.603 1.034 1.00 0.00 O ATOM 637 CB THR A 45 -10.118 5.026 2.281 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.041 4.407 3.183 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.883 5.763 1.192 1.00 0.00 C ATOM 0 H THR A 45 -8.153 3.827 3.490 1.00 0.00 H new ATOM 0 HA THR A 45 -9.784 3.223 1.142 1.00 0.00 H new ATOM 0 HB THR A 45 -9.507 5.746 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.630 5.089 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.536 6.508 1.647 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.178 6.257 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.484 5.052 0.625 1.00 0.00 H new ATOM 647 N VAL A 46 -8.201 4.131 -0.540 1.00 0.00 N ATOM 648 CA VAL A 46 -7.338 4.689 -1.574 1.00 0.00 C ATOM 649 C VAL A 46 -8.147 5.125 -2.790 1.00 0.00 C ATOM 650 O VAL A 46 -9.137 4.488 -3.149 1.00 0.00 O ATOM 651 CB VAL A 46 -6.269 3.673 -2.020 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.343 3.329 -0.863 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.926 2.420 -2.579 1.00 0.00 C ATOM 0 H VAL A 46 -8.760 3.333 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.845 5.558 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.670 4.125 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.595 2.610 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.846 4.234 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.924 2.896 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.156 1.713 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.550 1.963 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.543 2.685 -3.438 1.00 0.00 H new ATOM 663 N GLU A 47 -7.719 6.214 -3.419 1.00 0.00 N ATOM 664 CA GLU A 47 -8.405 6.736 -4.596 1.00 0.00 C ATOM 665 C GLU A 47 -7.557 6.544 -5.850 1.00 0.00 C ATOM 666 O GLU A 47 -6.328 6.580 -5.793 1.00 0.00 O ATOM 667 CB GLU A 47 -8.730 8.219 -4.408 1.00 0.00 C ATOM 668 CG GLU A 47 -9.273 8.887 -5.660 1.00 0.00 C ATOM 669 CD GLU A 47 -10.077 10.135 -5.354 1.00 0.00 C ATOM 670 OE1 GLU A 47 -10.991 10.058 -4.506 1.00 0.00 O ATOM 671 OE2 GLU A 47 -9.794 11.188 -5.962 1.00 0.00 O ATOM 0 H GLU A 47 -6.901 6.752 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.335 6.181 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.460 8.323 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.828 8.742 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.443 9.146 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.900 8.179 -6.202 1.00 0.00 H new ATOM 678 N ARG A 48 -8.224 6.339 -6.981 1.00 0.00 N ATOM 679 CA ARG A 48 -7.533 6.140 -8.250 1.00 0.00 C ATOM 680 C ARG A 48 -8.338 6.725 -9.406 1.00 0.00 C ATOM 681 O ARG A 48 -9.412 6.227 -9.741 1.00 0.00 O ATOM 682 CB ARG A 48 -7.284 4.650 -8.490 1.00 0.00 C ATOM 683 CG ARG A 48 -6.582 4.354 -9.806 1.00 0.00 C ATOM 684 CD ARG A 48 -5.831 3.033 -9.752 1.00 0.00 C ATOM 685 NE ARG A 48 -5.085 2.777 -10.981 1.00 0.00 N ATOM 686 CZ ARG A 48 -3.965 3.412 -11.307 1.00 0.00 C ATOM 687 NH1 ARG A 48 -3.464 4.336 -10.498 1.00 0.00 N ATOM 688 NH2 ARG A 48 -3.344 3.124 -12.443 1.00 0.00 N ATOM 0 H ARG A 48 -9.241 6.306 -7.045 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.576 6.658 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.684 4.254 -7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.238 4.123 -8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.315 4.324 -10.612 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.886 5.160 -10.038 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.144 3.041 -8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.538 2.221 -9.581 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.444 2.072 -11.625 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.939 4.560 -9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.604 4.822 -10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.727 2.414 -13.068 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.484 3.612 -12.692 1.00 0.00 H new ATOM 702 N ASN A 49 -7.812 7.785 -10.010 1.00 0.00 N ATOM 703 CA ASN A 49 -8.482 8.439 -11.128 1.00 0.00 C ATOM 704 C ASN A 49 -9.935 8.750 -10.784 1.00 0.00 C ATOM 705 O ASN A 49 -10.821 8.648 -11.632 1.00 0.00 O ATOM 706 CB ASN A 49 -8.420 7.554 -12.375 1.00 0.00 C ATOM 707 CG ASN A 49 -7.011 7.085 -12.682 1.00 0.00 C ATOM 708 OD1 ASN A 49 -6.737 5.886 -12.715 1.00 0.00 O ATOM 709 ND2 ASN A 49 -6.109 8.033 -12.909 1.00 0.00 N ATOM 0 H ASN A 49 -6.924 8.210 -9.744 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.966 9.377 -11.330 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.066 6.687 -12.234 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.810 8.107 -13.229 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.144 7.779 -13.121 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.381 9.015 -12.871 1.00 0.00 H new ATOM 716 N GLY A 50 -10.173 9.133 -9.533 1.00 0.00 N ATOM 717 CA GLY A 50 -11.519 9.454 -9.098 1.00 0.00 C ATOM 718 C GLY A 50 -12.246 8.253 -8.527 1.00 0.00 C ATOM 719 O GLY A 50 -13.148 8.401 -7.703 1.00 0.00 O ATOM 0 H GLY A 50 -9.457 9.227 -8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.476 10.241 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.085 9.850 -9.941 1.00 0.00 H new ATOM 723 N GLN A 51 -11.855 7.062 -8.967 1.00 0.00 N ATOM 724 CA GLN A 51 -12.478 5.831 -8.495 1.00 0.00 C ATOM 725 C GLN A 51 -11.953 5.449 -7.115 1.00 0.00 C ATOM 726 O GLN A 51 -10.765 5.171 -6.947 1.00 0.00 O ATOM 727 CB GLN A 51 -12.221 4.693 -9.484 1.00 0.00 C ATOM 728 CG GLN A 51 -13.085 4.765 -10.733 1.00 0.00 C ATOM 729 CD GLN A 51 -12.438 4.098 -11.930 1.00 0.00 C ATOM 730 OE1 GLN A 51 -11.316 3.598 -11.846 1.00 0.00 O ATOM 731 NE2 GLN A 51 -13.143 4.087 -13.055 1.00 0.00 N ATOM 0 H GLN A 51 -11.110 6.923 -9.650 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.552 6.003 -8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.171 4.708 -9.777 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.399 3.741 -8.984 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -14.046 4.291 -10.533 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.288 5.809 -10.970 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.069 4.513 -13.081 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.758 3.652 -13.894 1.00 0.00 H new ATOM 740 N ARG A 52 -12.845 5.438 -6.130 1.00 0.00 N ATOM 741 CA ARG A 52 -12.471 5.092 -4.764 1.00 0.00 C ATOM 742 C ARG A 52 -12.839 3.645 -4.450 1.00 0.00 C ATOM 743 O ARG A 52 -13.736 3.074 -5.069 1.00 0.00 O ATOM 744 CB ARG A 52 -13.157 6.032 -3.771 1.00 0.00 C ATOM 745 CG ARG A 52 -12.408 6.184 -2.458 1.00 0.00 C ATOM 746 CD ARG A 52 -12.913 7.376 -1.662 1.00 0.00 C ATOM 747 NE ARG A 52 -12.590 8.644 -2.311 1.00 0.00 N ATOM 748 CZ ARG A 52 -12.750 9.828 -1.730 1.00 0.00 C ATOM 749 NH1 ARG A 52 -13.225 9.906 -0.495 1.00 0.00 N ATOM 750 NH2 ARG A 52 -12.433 10.938 -2.386 1.00 0.00 N ATOM 0 H ARG A 52 -13.832 5.665 -6.252 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.391 5.202 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.269 7.014 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.161 5.660 -3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.522 5.276 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.343 6.303 -2.657 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.993 7.297 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.475 7.358 -0.664 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.222 8.619 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.469 9.055 0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.347 10.817 -0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.067 10.882 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.556 11.847 -1.940 1.00 0.00 H new ATOM 764 N GLY A 53 -12.140 3.059 -3.483 1.00 0.00 N ATOM 765 CA GLY A 53 -12.408 1.684 -3.103 1.00 0.00 C ATOM 766 C GLY A 53 -11.788 1.319 -1.769 1.00 0.00 C ATOM 767 O GLY A 53 -11.222 2.173 -1.085 1.00 0.00 O ATOM 0 H GLY A 53 -11.393 3.512 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.486 1.527 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.023 1.016 -3.874 1.00 0.00 H new ATOM 771 N PHE A 54 -11.895 0.048 -1.396 1.00 0.00 N ATOM 772 CA PHE A 54 -11.342 -0.427 -0.133 1.00 0.00 C ATOM 773 C PHE A 54 -10.475 -1.663 -0.350 1.00 0.00 C ATOM 774 O PHE A 54 -10.935 -2.673 -0.884 1.00 0.00 O ATOM 775 CB PHE A 54 -12.468 -0.747 0.853 1.00 0.00 C ATOM 776 CG PHE A 54 -13.573 0.271 0.852 1.00 0.00 C ATOM 777 CD1 PHE A 54 -13.357 1.547 1.346 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.827 -0.048 0.357 1.00 0.00 C ATOM 779 CE1 PHE A 54 -14.371 2.486 1.347 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.845 0.886 0.355 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.617 2.155 0.850 1.00 0.00 C ATOM 0 H PHE A 54 -12.359 -0.671 -1.950 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.718 0.365 0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.885 -1.725 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.051 -0.818 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.385 1.811 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.011 -1.039 -0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.190 3.477 1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.818 0.624 -0.033 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.411 2.887 0.849 1.00 0.00 H new ATOM 791 N VAL A 55 -9.216 -1.576 0.068 1.00 0.00 N ATOM 792 CA VAL A 55 -8.283 -2.687 -0.080 1.00 0.00 C ATOM 793 C VAL A 55 -7.415 -2.844 1.164 1.00 0.00 C ATOM 794 O VAL A 55 -7.144 -1.886 1.888 1.00 0.00 O ATOM 795 CB VAL A 55 -7.372 -2.495 -1.307 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.197 -2.470 -2.585 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.550 -1.223 -1.167 1.00 0.00 C ATOM 0 H VAL A 55 -8.819 -0.748 0.512 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.882 -3.587 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.684 -3.339 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.537 -2.334 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.736 -3.412 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.910 -1.647 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.912 -1.104 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.218 -0.365 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.930 -1.287 -0.273 1.00 0.00 H new ATOM 807 N PRO A 56 -6.966 -4.082 1.419 1.00 0.00 N ATOM 808 CA PRO A 56 -6.120 -4.394 2.575 1.00 0.00 C ATOM 809 C PRO A 56 -4.719 -3.808 2.444 1.00 0.00 C ATOM 810 O PRO A 56 -4.083 -3.924 1.398 1.00 0.00 O ATOM 811 CB PRO A 56 -6.063 -5.924 2.569 1.00 0.00 C ATOM 812 CG PRO A 56 -6.308 -6.307 1.151 1.00 0.00 C ATOM 813 CD PRO A 56 -7.249 -5.272 0.599 1.00 0.00 C ATOM 0 HA PRO A 56 -6.518 -3.972 3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.095 -6.285 2.915 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.817 -6.351 3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.376 -6.328 0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.743 -7.304 1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.064 -5.084 -0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.289 -5.585 0.690 1.00 0.00 H new ATOM 821 N GLY A 57 -4.243 -3.178 3.514 1.00 0.00 N ATOM 822 CA GLY A 57 -2.920 -2.583 3.497 1.00 0.00 C ATOM 823 C GLY A 57 -1.839 -3.584 3.142 1.00 0.00 C ATOM 824 O GLY A 57 -0.899 -3.261 2.415 1.00 0.00 O ATOM 0 H GLY A 57 -4.750 -3.069 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.903 -1.764 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.706 -2.153 4.475 1.00 0.00 H new ATOM 828 N SER A 58 -1.970 -4.802 3.657 1.00 0.00 N ATOM 829 CA SER A 58 -0.993 -5.853 3.395 1.00 0.00 C ATOM 830 C SER A 58 -0.597 -5.870 1.922 1.00 0.00 C ATOM 831 O SER A 58 0.475 -6.357 1.562 1.00 0.00 O ATOM 832 CB SER A 58 -1.558 -7.216 3.799 1.00 0.00 C ATOM 833 OG SER A 58 -0.518 -8.149 4.036 1.00 0.00 O ATOM 0 H SER A 58 -2.743 -5.086 4.258 1.00 0.00 H new ATOM 0 HA SER A 58 -0.104 -5.646 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.167 -7.109 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.213 -7.589 3.012 1.00 0.00 H new ATOM 0 HG SER A 58 -0.905 -9.012 4.294 1.00 0.00 H new ATOM 839 N TYR A 59 -1.469 -5.335 1.075 1.00 0.00 N ATOM 840 CA TYR A 59 -1.212 -5.291 -0.360 1.00 0.00 C ATOM 841 C TYR A 59 -0.845 -3.878 -0.804 1.00 0.00 C ATOM 842 O TYR A 59 -1.186 -3.453 -1.909 1.00 0.00 O ATOM 843 CB TYR A 59 -2.438 -5.779 -1.134 1.00 0.00 C ATOM 844 CG TYR A 59 -2.728 -7.250 -0.943 1.00 0.00 C ATOM 845 CD1 TYR A 59 -2.985 -7.770 0.319 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.747 -8.121 -2.026 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.250 -9.114 0.498 1.00 0.00 C ATOM 848 CE2 TYR A 59 -3.013 -9.466 -1.857 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.263 -9.957 -0.593 1.00 0.00 C ATOM 850 OH TYR A 59 -3.528 -11.297 -0.419 1.00 0.00 O ATOM 0 H TYR A 59 -2.360 -4.926 1.357 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.370 -5.950 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.308 -5.202 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.289 -5.581 -2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.978 -7.112 1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.550 -7.740 -3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.446 -9.502 1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.025 -10.129 -2.710 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.500 -11.751 -1.287 1.00 0.00 H new ATOM 860 N LEU A 60 -0.147 -3.155 0.064 1.00 0.00 N ATOM 861 CA LEU A 60 0.269 -1.789 -0.237 1.00 0.00 C ATOM 862 C LEU A 60 1.699 -1.540 0.229 1.00 0.00 C ATOM 863 O LEU A 60 2.113 -2.029 1.279 1.00 0.00 O ATOM 864 CB LEU A 60 -0.678 -0.789 0.428 1.00 0.00 C ATOM 865 CG LEU A 60 -2.095 -0.722 -0.145 1.00 0.00 C ATOM 866 CD1 LEU A 60 -2.973 0.180 0.708 1.00 0.00 C ATOM 867 CD2 LEU A 60 -2.065 -0.234 -1.586 1.00 0.00 C ATOM 0 H LEU A 60 0.143 -3.491 0.982 1.00 0.00 H new ATOM 0 HA LEU A 60 0.230 -1.653 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.748 -1.035 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.233 0.203 0.359 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.520 -1.726 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.977 0.216 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.020 -0.213 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.552 1.185 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.081 -0.193 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.621 0.761 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.471 -0.920 -2.190 1.00 0.00 H new ATOM 879 N GLU A 61 2.448 -0.774 -0.559 1.00 0.00 N ATOM 880 CA GLU A 61 3.832 -0.459 -0.225 1.00 0.00 C ATOM 881 C GLU A 61 4.007 1.039 0.011 1.00 0.00 C ATOM 882 O GLU A 61 3.716 1.855 -0.863 1.00 0.00 O ATOM 883 CB GLU A 61 4.768 -0.924 -1.342 1.00 0.00 C ATOM 884 CG GLU A 61 6.204 -0.458 -1.167 1.00 0.00 C ATOM 885 CD GLU A 61 7.072 -0.779 -2.368 1.00 0.00 C ATOM 886 OE1 GLU A 61 7.550 -1.929 -2.463 1.00 0.00 O ATOM 887 OE2 GLU A 61 7.273 0.119 -3.212 1.00 0.00 O ATOM 0 H GLU A 61 2.120 -0.361 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 61 4.086 -0.986 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.751 -2.013 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.390 -0.558 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.214 0.618 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.629 -0.928 -0.280 1.00 0.00 H new ATOM 894 N LYS A 62 4.486 1.393 1.199 1.00 0.00 N ATOM 895 CA LYS A 62 4.702 2.791 1.552 1.00 0.00 C ATOM 896 C LYS A 62 5.961 3.332 0.884 1.00 0.00 C ATOM 897 O LYS A 62 7.064 2.834 1.118 1.00 0.00 O ATOM 898 CB LYS A 62 4.811 2.944 3.071 1.00 0.00 C ATOM 899 CG LYS A 62 4.541 4.356 3.561 1.00 0.00 C ATOM 900 CD LYS A 62 4.542 4.429 5.078 1.00 0.00 C ATOM 901 CE LYS A 62 4.760 5.853 5.567 1.00 0.00 C ATOM 902 NZ LYS A 62 4.947 5.910 7.044 1.00 0.00 N ATOM 0 H LYS A 62 4.732 0.730 1.934 1.00 0.00 H new ATOM 0 HA LYS A 62 3.847 3.366 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.107 2.262 3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.810 2.643 3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.298 5.031 3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.578 4.696 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.594 4.052 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.326 3.783 5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.635 6.276 5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.906 6.469 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.093 6.897 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.102 5.529 7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.777 5.343 7.311 1.00 0.00 H new ATOM 916 N LEU A 63 5.792 4.355 0.053 1.00 0.00 N ATOM 917 CA LEU A 63 6.916 4.965 -0.648 1.00 0.00 C ATOM 918 C LEU A 63 7.517 6.103 0.172 1.00 0.00 C ATOM 919 O LEU A 63 8.736 6.210 0.303 1.00 0.00 O ATOM 920 CB LEU A 63 6.468 5.488 -2.014 1.00 0.00 C ATOM 921 CG LEU A 63 6.135 4.426 -3.063 1.00 0.00 C ATOM 922 CD1 LEU A 63 4.674 4.017 -2.963 1.00 0.00 C ATOM 923 CD2 LEU A 63 6.453 4.938 -4.460 1.00 0.00 C ATOM 0 H LEU A 63 4.887 4.779 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 63 7.680 4.201 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.589 6.116 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.255 6.128 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 63 6.751 3.547 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.455 3.261 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.478 3.608 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.040 4.888 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.210 4.169 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.864 5.832 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.514 5.180 -4.526 1.00 0.00 H new