USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 405 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 45 ASN : amide:sc= -0.625 K(o=-0.63,f=-2.3) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 18 TYR OH : rot -45:sc= 1.9 USER MOD Set 2.2: A 43 TYR OH : rot -175:sc= 0.763 USER MOD Set 3.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 41 GLN : amide:sc= 0.0133 X(o=0.013,f=0.17) USER MOD Set 4.1: A 32 THR OG1 : rot -149:sc= -0.208 USER MOD Set 4.2: A 61 TYR OH : rot 151:sc= -0.0389 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.186 USER MOD Single : A 17 THR OG1 : rot -36:sc= 0.327 USER MOD Single : A 19 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 23 THR OG1 : rot -29:sc= 0.617 USER MOD Single : A 24 SER OG : rot -88:sc= 0.548 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 15:sc= 0.18 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.14) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 11.140 9.784 2.727 1.00 0.00 N ATOM 135 CA TYR A 10 11.682 8.480 3.068 1.00 0.00 C ATOM 136 C TYR A 10 13.109 8.289 2.526 1.00 0.00 C ATOM 137 O TYR A 10 13.557 9.030 1.635 1.00 0.00 O ATOM 138 CB TYR A 10 10.710 7.415 2.537 1.00 0.00 C ATOM 139 CG TYR A 10 9.462 7.279 3.394 1.00 0.00 C ATOM 140 CD1 TYR A 10 8.340 8.106 3.183 1.00 0.00 C ATOM 141 CD2 TYR A 10 9.450 6.350 4.450 1.00 0.00 C ATOM 142 CE1 TYR A 10 7.210 7.992 4.015 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.329 6.236 5.284 1.00 0.00 C ATOM 144 CZ TYR A 10 7.196 7.045 5.063 1.00 0.00 C ATOM 145 OH TYR A 10 6.092 6.881 5.840 1.00 0.00 O ATOM 0 HA TYR A 10 11.773 8.387 4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.420 7.670 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 10 11.221 6.453 2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.347 8.829 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.311 5.720 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.353 8.629 3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.333 5.526 6.098 1.00 0.00 H new ATOM 0 HH TYR A 10 6.263 6.186 6.509 1.00 0.00 H new ATOM 155 N PRO A 11 13.839 7.297 3.057 1.00 0.00 N ATOM 156 CA PRO A 11 15.091 6.824 2.484 1.00 0.00 C ATOM 157 C PRO A 11 14.823 6.116 1.156 1.00 0.00 C ATOM 158 O PRO A 11 13.684 5.958 0.726 1.00 0.00 O ATOM 159 CB PRO A 11 15.680 5.870 3.532 1.00 0.00 C ATOM 160 CG PRO A 11 14.421 5.282 4.158 1.00 0.00 C ATOM 161 CD PRO A 11 13.488 6.481 4.211 1.00 0.00 C ATOM 0 HA PRO A 11 15.786 7.634 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.309 5.103 3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.294 6.395 4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.008 4.473 3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.614 4.874 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.445 6.169 4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.616 7.038 5.139 1.00 0.00 H new ATOM 169 N VAL A 12 15.897 5.651 0.527 1.00 0.00 N ATOM 170 CA VAL A 12 15.871 4.885 -0.704 1.00 0.00 C ATOM 171 C VAL A 12 16.163 3.431 -0.325 1.00 0.00 C ATOM 172 O VAL A 12 17.340 3.095 -0.146 1.00 0.00 O ATOM 173 CB VAL A 12 16.812 5.471 -1.767 1.00 0.00 C ATOM 174 CG1 VAL A 12 16.549 4.845 -3.143 1.00 0.00 C ATOM 175 CG2 VAL A 12 16.603 6.983 -1.913 1.00 0.00 C ATOM 0 H VAL A 12 16.842 5.806 0.877 1.00 0.00 H new ATOM 0 HA VAL A 12 14.894 4.933 -1.185 1.00 0.00 H new ATOM 0 HB VAL A 12 17.828 5.254 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.229 5.279 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.711 3.768 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.520 5.043 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 12 17.282 7.373 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.573 7.181 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 12 16.805 7.472 -0.960 1.00 0.00 H new ATOM 185 N PRO A 13 15.158 2.605 0.017 1.00 0.00 N ATOM 186 CA PRO A 13 15.411 1.179 0.202 1.00 0.00 C ATOM 187 C PRO A 13 15.987 0.562 -1.092 1.00 0.00 C ATOM 188 O PRO A 13 16.021 1.182 -2.166 1.00 0.00 O ATOM 189 CB PRO A 13 14.043 0.592 0.568 1.00 0.00 C ATOM 190 CG PRO A 13 13.079 1.474 -0.223 1.00 0.00 C ATOM 191 CD PRO A 13 13.719 2.854 -0.126 1.00 0.00 C ATOM 0 HA PRO A 13 16.150 0.972 0.976 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.962 -0.456 0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.853 0.644 1.640 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.986 1.144 -1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.077 1.463 0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.509 3.448 -1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.329 3.409 0.727 1.00 0.00 H new ATOM 199 N ASP A 14 16.441 -0.690 -1.014 1.00 0.00 N ATOM 200 CA ASP A 14 16.697 -1.494 -2.189 1.00 0.00 C ATOM 201 C ASP A 14 16.055 -2.843 -1.925 1.00 0.00 C ATOM 202 O ASP A 14 16.281 -3.474 -0.883 1.00 0.00 O ATOM 203 CB ASP A 14 18.201 -1.597 -2.482 1.00 0.00 C ATOM 204 CG ASP A 14 18.486 -1.946 -3.954 1.00 0.00 C ATOM 205 OD1 ASP A 14 17.658 -2.635 -4.602 1.00 0.00 O ATOM 206 OD2 ASP A 14 19.564 -1.525 -4.447 1.00 0.00 O ATOM 0 H ASP A 14 16.638 -1.165 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 14 16.270 -1.043 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 14 18.683 -0.651 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.643 -2.357 -1.838 1.00 0.00 H new ATOM 211 N VAL A 15 15.258 -3.274 -2.897 1.00 0.00 N ATOM 212 CA VAL A 15 14.642 -4.598 -2.925 1.00 0.00 C ATOM 213 C VAL A 15 15.749 -5.635 -2.895 1.00 0.00 C ATOM 214 O VAL A 15 15.510 -6.770 -2.484 1.00 0.00 O ATOM 215 CB VAL A 15 13.793 -4.910 -4.174 1.00 0.00 C ATOM 216 CG1 VAL A 15 12.683 -5.942 -3.980 1.00 0.00 C ATOM 217 CG2 VAL A 15 13.462 -3.679 -5.003 1.00 0.00 C ATOM 0 H VAL A 15 15.016 -2.701 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 15 13.972 -4.621 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 15 14.454 -5.475 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.150 -6.084 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.119 -6.889 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 15 11.987 -5.589 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.863 -3.971 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 15 12.900 -2.971 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 15 14.385 -3.211 -5.344 1.00 0.00 H new ATOM 227 N SER A 16 16.947 -5.294 -3.382 1.00 0.00 N ATOM 228 CA SER A 16 17.943 -6.322 -3.506 1.00 0.00 C ATOM 229 C SER A 16 18.231 -6.913 -2.114 1.00 0.00 C ATOM 230 O SER A 16 18.319 -8.128 -1.945 1.00 0.00 O ATOM 231 CB SER A 16 19.202 -5.773 -4.153 1.00 0.00 C ATOM 232 OG SER A 16 19.688 -4.621 -3.486 1.00 0.00 O ATOM 0 H SER A 16 17.227 -4.359 -3.679 1.00 0.00 H new ATOM 0 HA SER A 16 17.573 -7.117 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.974 -6.543 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.996 -5.528 -5.195 1.00 0.00 H new ATOM 0 HG SER A 16 20.499 -4.301 -3.934 1.00 0.00 H new ATOM 238 N THR A 17 18.244 -6.043 -1.101 1.00 0.00 N ATOM 239 CA THR A 17 18.478 -6.353 0.302 1.00 0.00 C ATOM 240 C THR A 17 17.172 -6.731 1.030 1.00 0.00 C ATOM 241 O THR A 17 17.092 -6.570 2.249 1.00 0.00 O ATOM 242 CB THR A 17 19.243 -5.182 0.966 1.00 0.00 C ATOM 243 OG1 THR A 17 18.425 -4.042 1.221 1.00 0.00 O ATOM 244 CG2 THR A 17 20.424 -4.683 0.124 1.00 0.00 C ATOM 0 H THR A 17 18.082 -5.047 -1.252 1.00 0.00 H new ATOM 0 HA THR A 17 19.107 -7.240 0.379 1.00 0.00 H new ATOM 0 HB THR A 17 19.592 -5.614 1.904 1.00 0.00 H new ATOM 0 HG1 THR A 17 17.772 -3.939 0.497 1.00 0.00 H new ATOM 0 HG21 THR A 17 20.920 -3.862 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.133 -5.497 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.060 -4.334 -0.843 1.00 0.00 H new ATOM 252 N TYR A 18 16.090 -7.102 0.333 1.00 0.00 N ATOM 253 CA TYR A 18 14.913 -7.658 0.996 1.00 0.00 C ATOM 254 C TYR A 18 15.140 -9.131 1.315 1.00 0.00 C ATOM 255 O TYR A 18 15.979 -9.789 0.694 1.00 0.00 O ATOM 256 CB TYR A 18 13.668 -7.477 0.127 1.00 0.00 C ATOM 257 CG TYR A 18 13.107 -6.068 0.044 1.00 0.00 C ATOM 258 CD1 TYR A 18 13.665 -4.985 0.753 1.00 0.00 C ATOM 259 CD2 TYR A 18 12.068 -5.827 -0.866 1.00 0.00 C ATOM 260 CE1 TYR A 18 13.188 -3.682 0.548 1.00 0.00 C ATOM 261 CE2 TYR A 18 11.694 -4.512 -1.182 1.00 0.00 C ATOM 262 CZ TYR A 18 12.209 -3.432 -0.438 1.00 0.00 C ATOM 263 OH TYR A 18 11.765 -2.167 -0.669 1.00 0.00 O ATOM 0 H TYR A 18 16.009 -7.027 -0.681 1.00 0.00 H new ATOM 0 HA TYR A 18 14.752 -7.121 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 18 13.904 -7.812 -0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 18 12.886 -8.135 0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.464 -5.159 1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.553 -6.657 -1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.571 -2.868 1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.010 -4.327 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 18 11.588 -1.721 0.186 1.00 0.00 H new ATOM 273 N GLN A 19 14.349 -9.651 2.249 1.00 0.00 N ATOM 274 CA GLN A 19 14.427 -11.029 2.721 1.00 0.00 C ATOM 275 C GLN A 19 13.319 -11.828 2.031 1.00 0.00 C ATOM 276 O GLN A 19 12.144 -11.580 2.294 1.00 0.00 O ATOM 277 CB GLN A 19 14.304 -11.059 4.256 1.00 0.00 C ATOM 278 CG GLN A 19 15.555 -10.516 4.980 1.00 0.00 C ATOM 279 CD GLN A 19 15.534 -10.722 6.506 1.00 0.00 C ATOM 280 OE1 GLN A 19 16.567 -10.707 7.176 1.00 0.00 O ATOM 281 NE2 GLN A 19 14.380 -10.898 7.133 1.00 0.00 N ATOM 0 H GLN A 19 13.617 -9.111 2.710 1.00 0.00 H new ATOM 0 HA GLN A 19 15.387 -11.481 2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.436 -10.472 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.122 -12.084 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.440 -11.003 4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.651 -9.451 4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.509 -10.915 6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.363 -11.017 8.146 1.00 0.00 H new ATOM 290 N TYR A 20 13.675 -12.725 1.111 1.00 0.00 N ATOM 291 CA TYR A 20 12.739 -13.616 0.432 1.00 0.00 C ATOM 292 C TYR A 20 12.078 -14.566 1.439 1.00 0.00 C ATOM 293 O TYR A 20 12.687 -14.921 2.450 1.00 0.00 O ATOM 294 CB TYR A 20 13.483 -14.415 -0.652 1.00 0.00 C ATOM 295 CG TYR A 20 12.593 -15.299 -1.511 1.00 0.00 C ATOM 296 CD1 TYR A 20 11.676 -14.713 -2.408 1.00 0.00 C ATOM 297 CD2 TYR A 20 12.649 -16.704 -1.390 1.00 0.00 C ATOM 298 CE1 TYR A 20 10.823 -15.527 -3.178 1.00 0.00 C ATOM 299 CE2 TYR A 20 11.819 -17.513 -2.185 1.00 0.00 C ATOM 300 CZ TYR A 20 10.893 -16.932 -3.072 1.00 0.00 C ATOM 301 OH TYR A 20 10.010 -17.720 -3.746 1.00 0.00 O ATOM 0 H TYR A 20 14.642 -12.854 0.812 1.00 0.00 H new ATOM 0 HA TYR A 20 11.957 -13.020 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.013 -13.717 -1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 20 14.237 -15.039 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 20 11.628 -13.638 -2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.330 -17.158 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.112 -15.074 -3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.892 -18.588 -2.115 1.00 0.00 H new ATOM 0 HH TYR A 20 10.204 -18.662 -3.559 1.00 0.00 H new ATOM 311 N ASP A 21 10.863 -15.024 1.133 1.00 0.00 N ATOM 312 CA ASP A 21 10.178 -16.110 1.822 1.00 0.00 C ATOM 313 C ASP A 21 9.706 -17.110 0.791 1.00 0.00 C ATOM 314 O ASP A 21 8.703 -16.877 0.114 1.00 0.00 O ATOM 315 CB ASP A 21 8.960 -15.607 2.607 1.00 0.00 C ATOM 316 CG ASP A 21 9.255 -15.389 4.078 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.592 -16.362 4.790 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.053 -14.232 4.512 1.00 0.00 O ATOM 0 H ASP A 21 10.312 -14.632 0.370 1.00 0.00 H new ATOM 0 HA ASP A 21 10.876 -16.562 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.613 -14.671 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.147 -16.327 2.507 1.00 0.00 H new ATOM 323 N GLU A 22 10.386 -18.250 0.702 1.00 0.00 N ATOM 324 CA GLU A 22 9.911 -19.379 -0.092 1.00 0.00 C ATOM 325 C GLU A 22 8.561 -19.904 0.403 1.00 0.00 C ATOM 326 O GLU A 22 7.777 -20.396 -0.405 1.00 0.00 O ATOM 327 CB GLU A 22 10.928 -20.528 -0.154 1.00 0.00 C ATOM 328 CG GLU A 22 11.606 -20.909 1.164 1.00 0.00 C ATOM 329 CD GLU A 22 11.997 -22.384 1.196 1.00 0.00 C ATOM 330 OE1 GLU A 22 12.906 -22.811 0.447 1.00 0.00 O ATOM 331 OE2 GLU A 22 11.373 -23.152 1.951 1.00 0.00 O ATOM 0 H GLU A 22 11.275 -18.417 1.174 1.00 0.00 H new ATOM 0 HA GLU A 22 9.782 -18.991 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.423 -21.411 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.703 -20.260 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.495 -20.294 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.933 -20.693 1.994 1.00 0.00 H new ATOM 338 N THR A 23 8.248 -19.740 1.689 1.00 0.00 N ATOM 339 CA THR A 23 7.010 -20.226 2.308 1.00 0.00 C ATOM 340 C THR A 23 5.752 -19.524 1.776 1.00 0.00 C ATOM 341 O THR A 23 4.642 -19.856 2.196 1.00 0.00 O ATOM 342 CB THR A 23 7.110 -20.100 3.838 1.00 0.00 C ATOM 343 OG1 THR A 23 6.003 -20.733 4.458 1.00 0.00 O ATOM 344 CG2 THR A 23 7.172 -18.646 4.313 1.00 0.00 C ATOM 0 H THR A 23 8.860 -19.255 2.345 1.00 0.00 H new ATOM 0 HA THR A 23 6.902 -21.276 2.035 1.00 0.00 H new ATOM 0 HB THR A 23 8.042 -20.588 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.230 -20.702 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.242 -18.621 5.400 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.047 -18.159 3.882 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.271 -18.121 3.995 1.00 0.00 H new ATOM 352 N SER A 24 5.906 -18.518 0.923 1.00 0.00 N ATOM 353 CA SER A 24 4.798 -17.880 0.234 1.00 0.00 C ATOM 354 C SER A 24 5.205 -17.561 -1.202 1.00 0.00 C ATOM 355 O SER A 24 4.501 -17.942 -2.140 1.00 0.00 O ATOM 356 CB SER A 24 4.345 -16.657 1.041 1.00 0.00 C ATOM 357 OG SER A 24 3.128 -16.171 0.535 1.00 0.00 O ATOM 0 H SER A 24 6.816 -18.120 0.690 1.00 0.00 H new ATOM 0 HA SER A 24 3.937 -18.545 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.230 -16.926 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.105 -15.877 0.993 1.00 0.00 H new ATOM 0 HG SER A 24 3.306 -15.522 -0.178 1.00 0.00 H new ATOM 363 N GLY A 25 6.383 -16.958 -1.377 1.00 0.00 N ATOM 364 CA GLY A 25 6.918 -16.535 -2.659 1.00 0.00 C ATOM 365 C GLY A 25 6.985 -15.015 -2.775 1.00 0.00 C ATOM 366 O GLY A 25 6.651 -14.484 -3.832 1.00 0.00 O ATOM 0 H GLY A 25 7.007 -16.747 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.916 -16.953 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.296 -16.933 -3.461 1.00 0.00 H new ATOM 370 N TYR A 26 7.438 -14.296 -1.740 1.00 0.00 N ATOM 371 CA TYR A 26 7.500 -12.827 -1.728 1.00 0.00 C ATOM 372 C TYR A 26 8.819 -12.338 -1.151 1.00 0.00 C ATOM 373 O TYR A 26 9.575 -13.128 -0.585 1.00 0.00 O ATOM 374 CB TYR A 26 6.337 -12.260 -0.897 1.00 0.00 C ATOM 375 CG TYR A 26 5.009 -12.467 -1.575 1.00 0.00 C ATOM 376 CD1 TYR A 26 4.710 -11.715 -2.721 1.00 0.00 C ATOM 377 CD2 TYR A 26 4.130 -13.470 -1.133 1.00 0.00 C ATOM 378 CE1 TYR A 26 3.561 -12.009 -3.466 1.00 0.00 C ATOM 379 CE2 TYR A 26 2.974 -13.766 -1.873 1.00 0.00 C ATOM 380 CZ TYR A 26 2.702 -13.052 -3.060 1.00 0.00 C ATOM 381 OH TYR A 26 1.632 -13.378 -3.830 1.00 0.00 O ATOM 0 H TYR A 26 7.776 -14.722 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 26 7.422 -12.478 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.323 -12.739 0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.497 -11.195 -0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.364 -10.912 -3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.343 -14.013 -0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.332 -11.436 -4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.296 -14.536 -1.536 1.00 0.00 H new ATOM 0 HH TYR A 26 1.142 -14.117 -3.413 1.00 0.00 H new ATOM 391 N TYR A 27 9.077 -11.034 -1.271 1.00 0.00 N ATOM 392 CA TYR A 27 10.215 -10.356 -0.673 1.00 0.00 C ATOM 393 C TYR A 27 9.685 -9.443 0.428 1.00 0.00 C ATOM 394 O TYR A 27 8.791 -8.636 0.175 1.00 0.00 O ATOM 395 CB TYR A 27 10.962 -9.553 -1.744 1.00 0.00 C ATOM 396 CG TYR A 27 11.731 -10.419 -2.717 1.00 0.00 C ATOM 397 CD1 TYR A 27 13.033 -10.846 -2.395 1.00 0.00 C ATOM 398 CD2 TYR A 27 11.136 -10.826 -3.925 1.00 0.00 C ATOM 399 CE1 TYR A 27 13.733 -11.695 -3.266 1.00 0.00 C ATOM 400 CE2 TYR A 27 11.828 -11.684 -4.800 1.00 0.00 C ATOM 401 CZ TYR A 27 13.128 -12.129 -4.464 1.00 0.00 C ATOM 402 OH TYR A 27 13.792 -12.995 -5.273 1.00 0.00 O ATOM 0 H TYR A 27 8.477 -10.406 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 27 10.918 -11.073 -0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.246 -8.945 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.653 -8.866 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.495 -10.519 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.146 -10.479 -4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 27 14.734 -12.016 -3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.368 -12.001 -5.724 1.00 0.00 H new ATOM 0 HH TYR A 27 13.241 -13.198 -6.057 1.00 0.00 H new ATOM 412 N TYR A 28 10.205 -9.575 1.642 1.00 0.00 N ATOM 413 CA TYR A 28 9.840 -8.756 2.783 1.00 0.00 C ATOM 414 C TYR A 28 10.735 -7.526 2.797 1.00 0.00 C ATOM 415 O TYR A 28 11.933 -7.660 2.559 1.00 0.00 O ATOM 416 CB TYR A 28 10.047 -9.584 4.055 1.00 0.00 C ATOM 417 CG TYR A 28 9.806 -8.815 5.332 1.00 0.00 C ATOM 418 CD1 TYR A 28 8.570 -8.178 5.539 1.00 0.00 C ATOM 419 CD2 TYR A 28 10.826 -8.714 6.296 1.00 0.00 C ATOM 420 CE1 TYR A 28 8.341 -7.451 6.715 1.00 0.00 C ATOM 421 CE2 TYR A 28 10.618 -7.965 7.465 1.00 0.00 C ATOM 422 CZ TYR A 28 9.371 -7.333 7.672 1.00 0.00 C ATOM 423 OH TYR A 28 9.152 -6.622 8.803 1.00 0.00 O ATOM 0 H TYR A 28 10.912 -10.276 1.862 1.00 0.00 H new ATOM 0 HA TYR A 28 8.799 -8.439 2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.379 -10.445 4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.066 -9.972 4.063 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.795 -8.249 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 28 11.770 -9.213 6.136 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.383 -6.984 6.888 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.404 -7.873 8.200 1.00 0.00 H new ATOM 0 HH TYR A 28 9.958 -6.637 9.360 1.00 0.00 H new ATOM 433 N ASP A 29 10.176 -6.356 3.111 1.00 0.00 N ATOM 434 CA ASP A 29 10.849 -5.065 3.229 1.00 0.00 C ATOM 435 C ASP A 29 11.165 -4.794 4.700 1.00 0.00 C ATOM 436 O ASP A 29 10.354 -4.188 5.399 1.00 0.00 O ATOM 437 CB ASP A 29 10.016 -3.935 2.608 1.00 0.00 C ATOM 438 CG ASP A 29 10.722 -2.571 2.592 1.00 0.00 C ATOM 439 OD1 ASP A 29 11.414 -2.238 3.583 1.00 0.00 O ATOM 440 OD2 ASP A 29 10.560 -1.808 1.615 1.00 0.00 O ATOM 0 H ASP A 29 9.177 -6.282 3.302 1.00 0.00 H new ATOM 0 HA ASP A 29 11.784 -5.100 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.756 -4.209 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.081 -3.842 3.160 1.00 0.00 H new ATOM 445 N PRO A 30 12.302 -5.262 5.235 1.00 0.00 N ATOM 446 CA PRO A 30 12.706 -4.965 6.602 1.00 0.00 C ATOM 447 C PRO A 30 13.127 -3.510 6.816 1.00 0.00 C ATOM 448 O PRO A 30 13.482 -3.137 7.936 1.00 0.00 O ATOM 449 CB PRO A 30 13.894 -5.877 6.868 1.00 0.00 C ATOM 450 CG PRO A 30 14.497 -6.124 5.496 1.00 0.00 C ATOM 451 CD PRO A 30 13.279 -6.113 4.592 1.00 0.00 C ATOM 0 HA PRO A 30 11.865 -5.125 7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.613 -5.407 7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.581 -6.809 7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.212 -5.348 5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.026 -7.076 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.533 -5.734 3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.887 -7.121 4.456 1.00 0.00 H new ATOM 459 N GLN A 31 13.190 -2.696 5.762 1.00 0.00 N ATOM 460 CA GLN A 31 13.486 -1.277 5.921 1.00 0.00 C ATOM 461 C GLN A 31 12.260 -0.564 6.503 1.00 0.00 C ATOM 462 O GLN A 31 12.413 0.474 7.150 1.00 0.00 O ATOM 463 CB GLN A 31 13.875 -0.579 4.600 1.00 0.00 C ATOM 464 CG GLN A 31 14.947 -1.281 3.745 1.00 0.00 C ATOM 465 CD GLN A 31 16.312 -0.592 3.726 1.00 0.00 C ATOM 466 OE1 GLN A 31 16.431 0.620 3.577 1.00 0.00 O ATOM 467 NE2 GLN A 31 17.384 -1.364 3.788 1.00 0.00 N ATOM 0 H GLN A 31 13.041 -2.994 4.798 1.00 0.00 H new ATOM 0 HA GLN A 31 14.344 -1.213 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.975 -0.466 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.229 0.425 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.076 -2.299 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.581 -1.357 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.281 -2.371 3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 31 18.314 -0.952 3.712 1.00 0.00 H new ATOM 476 N THR A 32 11.049 -1.076 6.244 1.00 0.00 N ATOM 477 CA THR A 32 9.809 -0.369 6.549 1.00 0.00 C ATOM 478 C THR A 32 8.680 -1.246 7.099 1.00 0.00 C ATOM 479 O THR A 32 7.796 -0.707 7.777 1.00 0.00 O ATOM 480 CB THR A 32 9.326 0.368 5.295 1.00 0.00 C ATOM 481 OG1 THR A 32 9.306 -0.488 4.170 1.00 0.00 O ATOM 482 CG2 THR A 32 10.149 1.630 5.001 1.00 0.00 C ATOM 0 H THR A 32 10.907 -1.992 5.817 1.00 0.00 H new ATOM 0 HA THR A 32 10.053 0.325 7.354 1.00 0.00 H new ATOM 0 HB THR A 32 8.305 0.690 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.481 0.033 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.765 2.114 4.103 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.074 2.318 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.193 1.356 4.848 1.00 0.00 H new ATOM 490 N GLY A 33 8.682 -2.553 6.819 1.00 0.00 N ATOM 491 CA GLY A 33 7.693 -3.503 7.328 1.00 0.00 C ATOM 492 C GLY A 33 6.661 -3.913 6.275 1.00 0.00 C ATOM 493 O GLY A 33 5.634 -4.516 6.601 1.00 0.00 O ATOM 0 H GLY A 33 9.385 -2.987 6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.206 -4.393 7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.178 -3.061 8.181 1.00 0.00 H new ATOM 497 N LEU A 34 6.887 -3.545 5.017 1.00 0.00 N ATOM 498 CA LEU A 34 6.041 -3.871 3.872 1.00 0.00 C ATOM 499 C LEU A 34 6.512 -5.202 3.262 1.00 0.00 C ATOM 500 O LEU A 34 7.474 -5.797 3.740 1.00 0.00 O ATOM 501 CB LEU A 34 6.123 -2.696 2.880 1.00 0.00 C ATOM 502 CG LEU A 34 5.523 -1.391 3.455 1.00 0.00 C ATOM 503 CD1 LEU A 34 6.102 -0.171 2.734 1.00 0.00 C ATOM 504 CD2 LEU A 34 3.996 -1.402 3.350 1.00 0.00 C ATOM 0 H LEU A 34 7.700 -2.987 4.756 1.00 0.00 H new ATOM 0 HA LEU A 34 4.998 -4.005 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.165 -2.525 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.596 -2.961 1.963 1.00 0.00 H new ATOM 0 HG LEU A 34 5.791 -1.329 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.669 0.738 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.184 -0.151 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.866 -0.230 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.596 -0.475 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.704 -1.491 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.599 -2.248 3.911 1.00 0.00 H new ATOM 516 N TYR A 35 5.863 -5.675 2.200 1.00 0.00 N ATOM 517 CA TYR A 35 6.389 -6.697 1.296 1.00 0.00 C ATOM 518 C TYR A 35 6.373 -6.149 -0.132 1.00 0.00 C ATOM 519 O TYR A 35 5.791 -5.091 -0.388 1.00 0.00 O ATOM 520 CB TYR A 35 5.554 -7.983 1.382 1.00 0.00 C ATOM 521 CG TYR A 35 5.765 -8.848 2.606 1.00 0.00 C ATOM 522 CD1 TYR A 35 5.116 -8.532 3.816 1.00 0.00 C ATOM 523 CD2 TYR A 35 6.536 -10.024 2.511 1.00 0.00 C ATOM 524 CE1 TYR A 35 5.213 -9.401 4.920 1.00 0.00 C ATOM 525 CE2 TYR A 35 6.633 -10.888 3.608 1.00 0.00 C ATOM 526 CZ TYR A 35 5.958 -10.597 4.808 1.00 0.00 C ATOM 527 OH TYR A 35 5.980 -11.505 5.817 1.00 0.00 O ATOM 0 H TYR A 35 4.933 -5.350 1.937 1.00 0.00 H new ATOM 0 HA TYR A 35 7.411 -6.943 1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.500 -7.708 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.765 -8.586 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.542 -7.621 3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.052 -10.259 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.720 -9.155 5.849 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.230 -11.785 3.533 1.00 0.00 H new ATOM 0 HH TYR A 35 6.544 -12.265 5.561 1.00 0.00 H new ATOM 537 N TYR A 36 6.985 -6.889 -1.054 1.00 0.00 N ATOM 538 CA TYR A 36 7.113 -6.627 -2.477 1.00 0.00 C ATOM 539 C TYR A 36 7.014 -7.962 -3.224 1.00 0.00 C ATOM 540 O TYR A 36 7.289 -9.028 -2.658 1.00 0.00 O ATOM 541 CB TYR A 36 8.477 -5.959 -2.698 1.00 0.00 C ATOM 542 CG TYR A 36 8.894 -5.735 -4.137 1.00 0.00 C ATOM 543 CD1 TYR A 36 8.496 -4.570 -4.821 1.00 0.00 C ATOM 544 CD2 TYR A 36 9.759 -6.653 -4.763 1.00 0.00 C ATOM 545 CE1 TYR A 36 8.956 -4.327 -6.127 1.00 0.00 C ATOM 546 CE2 TYR A 36 10.240 -6.407 -6.059 1.00 0.00 C ATOM 547 CZ TYR A 36 9.824 -5.253 -6.751 1.00 0.00 C ATOM 548 OH TYR A 36 10.281 -5.041 -8.014 1.00 0.00 O ATOM 0 H TYR A 36 7.443 -7.763 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 36 6.327 -5.969 -2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.471 -4.994 -2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.239 -6.570 -2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.836 -3.862 -4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.054 -7.552 -4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.647 -3.435 -6.653 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.926 -7.100 -6.523 1.00 0.00 H new ATOM 0 HH TYR A 36 10.867 -5.781 -8.278 1.00 0.00 H new ATOM 558 N ASP A 37 6.686 -7.904 -4.517 1.00 0.00 N ATOM 559 CA ASP A 37 6.661 -9.053 -5.418 1.00 0.00 C ATOM 560 C ASP A 37 7.500 -8.716 -6.653 1.00 0.00 C ATOM 561 O ASP A 37 7.491 -7.567 -7.106 1.00 0.00 O ATOM 562 CB ASP A 37 5.223 -9.347 -5.842 1.00 0.00 C ATOM 563 CG ASP A 37 5.130 -10.493 -6.848 1.00 0.00 C ATOM 564 OD1 ASP A 37 5.272 -10.232 -8.064 1.00 0.00 O ATOM 565 OD2 ASP A 37 4.879 -11.639 -6.432 1.00 0.00 O ATOM 0 H ASP A 37 6.424 -7.032 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 37 7.066 -9.931 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.631 -9.593 -4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.786 -8.449 -6.278 1.00 0.00 H new ATOM 570 N PRO A 38 8.220 -9.686 -7.233 1.00 0.00 N ATOM 571 CA PRO A 38 9.150 -9.411 -8.311 1.00 0.00 C ATOM 572 C PRO A 38 8.463 -9.140 -9.648 1.00 0.00 C ATOM 573 O PRO A 38 8.966 -8.323 -10.423 1.00 0.00 O ATOM 574 CB PRO A 38 10.053 -10.646 -8.389 1.00 0.00 C ATOM 575 CG PRO A 38 9.162 -11.768 -7.857 1.00 0.00 C ATOM 576 CD PRO A 38 8.355 -11.059 -6.782 1.00 0.00 C ATOM 0 HA PRO A 38 9.710 -8.498 -8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.379 -10.842 -9.410 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.952 -10.526 -7.785 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.524 -12.184 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.747 -12.593 -7.449 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.379 -11.526 -6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.861 -11.106 -5.818 1.00 0.00 H new ATOM 584 N ASN A 39 7.344 -9.802 -9.950 1.00 0.00 N ATOM 585 CA ASN A 39 6.586 -9.530 -11.167 1.00 0.00 C ATOM 586 C ASN A 39 5.657 -8.338 -10.974 1.00 0.00 C ATOM 587 O ASN A 39 5.258 -7.724 -11.962 1.00 0.00 O ATOM 588 CB ASN A 39 5.780 -10.765 -11.603 1.00 0.00 C ATOM 589 CG ASN A 39 6.476 -11.442 -12.769 1.00 0.00 C ATOM 590 OD1 ASN A 39 6.436 -10.950 -13.894 1.00 0.00 O ATOM 591 ND2 ASN A 39 7.165 -12.538 -12.515 1.00 0.00 N ATOM 0 H ASN A 39 6.943 -10.534 -9.363 1.00 0.00 H new ATOM 0 HA ASN A 39 7.300 -9.289 -11.954 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.684 -11.461 -10.770 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.771 -10.470 -11.890 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.683 -13.000 -13.263 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.180 -12.924 -11.571 1.00 0.00 H new ATOM 598 N SER A 40 5.303 -7.993 -9.739 1.00 0.00 N ATOM 599 CA SER A 40 4.231 -7.073 -9.414 1.00 0.00 C ATOM 600 C SER A 40 4.780 -6.068 -8.420 1.00 0.00 C ATOM 601 O SER A 40 4.677 -6.253 -7.207 1.00 0.00 O ATOM 602 CB SER A 40 3.026 -7.886 -8.927 1.00 0.00 C ATOM 603 OG SER A 40 1.911 -7.121 -8.526 1.00 0.00 O ATOM 0 H SER A 40 5.774 -8.362 -8.913 1.00 0.00 H new ATOM 0 HA SER A 40 3.871 -6.500 -10.268 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.716 -8.561 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.341 -8.507 -8.089 1.00 0.00 H new ATOM 0 HG SER A 40 2.009 -6.203 -8.855 1.00 0.00 H new ATOM 609 N GLN A 41 5.338 -4.978 -8.955 1.00 0.00 N ATOM 610 CA GLN A 41 5.971 -3.902 -8.192 1.00 0.00 C ATOM 611 C GLN A 41 5.041 -3.278 -7.134 1.00 0.00 C ATOM 612 O GLN A 41 5.494 -2.465 -6.330 1.00 0.00 O ATOM 613 CB GLN A 41 6.507 -2.809 -9.135 1.00 0.00 C ATOM 614 CG GLN A 41 7.888 -3.091 -9.740 1.00 0.00 C ATOM 615 CD GLN A 41 7.911 -4.215 -10.767 1.00 0.00 C ATOM 616 OE1 GLN A 41 7.686 -3.981 -11.956 1.00 0.00 O ATOM 617 NE2 GLN A 41 8.119 -5.449 -10.337 1.00 0.00 N ATOM 0 H GLN A 41 5.362 -4.817 -9.962 1.00 0.00 H new ATOM 0 HA GLN A 41 6.801 -4.359 -7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.793 -2.670 -9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.553 -1.868 -8.586 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.258 -2.179 -10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.580 -3.338 -8.935 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.304 -5.620 -9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.095 -6.229 -10.994 1.00 0.00 H new ATOM 626 N TYR A 42 3.751 -3.613 -7.131 1.00 0.00 N ATOM 627 CA TYR A 42 2.805 -3.264 -6.090 1.00 0.00 C ATOM 628 C TYR A 42 3.246 -3.925 -4.780 1.00 0.00 C ATOM 629 O TYR A 42 3.158 -5.148 -4.615 1.00 0.00 O ATOM 630 CB TYR A 42 1.380 -3.643 -6.527 1.00 0.00 C ATOM 631 CG TYR A 42 1.048 -3.195 -7.938 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.298 -1.866 -8.327 1.00 0.00 C ATOM 633 CD2 TYR A 42 0.572 -4.122 -8.882 1.00 0.00 C ATOM 634 CE1 TYR A 42 1.132 -1.471 -9.662 1.00 0.00 C ATOM 635 CE2 TYR A 42 0.348 -3.723 -10.207 1.00 0.00 C ATOM 636 CZ TYR A 42 0.666 -2.409 -10.619 1.00 0.00 C ATOM 637 OH TYR A 42 0.477 -2.053 -11.917 1.00 0.00 O ATOM 0 H TYR A 42 3.328 -4.155 -7.885 1.00 0.00 H new ATOM 0 HA TYR A 42 2.789 -2.188 -5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.262 -4.724 -6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.665 -3.200 -5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.620 -1.144 -7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.379 -5.142 -8.586 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.358 -0.458 -9.960 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.069 -4.423 -10.916 1.00 0.00 H new ATOM 0 HH TYR A 42 0.156 -2.827 -12.425 1.00 0.00 H new ATOM 647 N TYR A 43 3.760 -3.110 -3.864 1.00 0.00 N ATOM 648 CA TYR A 43 4.064 -3.489 -2.497 1.00 0.00 C ATOM 649 C TYR A 43 2.786 -3.957 -1.808 1.00 0.00 C ATOM 650 O TYR A 43 1.680 -3.548 -2.170 1.00 0.00 O ATOM 651 CB TYR A 43 4.660 -2.290 -1.743 1.00 0.00 C ATOM 652 CG TYR A 43 6.121 -2.003 -2.042 1.00 0.00 C ATOM 653 CD1 TYR A 43 6.508 -1.475 -3.287 1.00 0.00 C ATOM 654 CD2 TYR A 43 7.105 -2.263 -1.069 1.00 0.00 C ATOM 655 CE1 TYR A 43 7.861 -1.216 -3.561 1.00 0.00 C ATOM 656 CE2 TYR A 43 8.460 -1.999 -1.332 1.00 0.00 C ATOM 657 CZ TYR A 43 8.848 -1.477 -2.587 1.00 0.00 C ATOM 658 OH TYR A 43 10.154 -1.224 -2.883 1.00 0.00 O ATOM 0 H TYR A 43 3.982 -2.135 -4.065 1.00 0.00 H new ATOM 0 HA TYR A 43 4.792 -4.300 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.075 -1.402 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.551 -2.463 -0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.760 -1.267 -4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.816 -2.669 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.147 -0.815 -4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.205 -2.195 -0.575 1.00 0.00 H new ATOM 0 HH TYR A 43 10.722 -1.534 -2.147 1.00 0.00 H new ATOM 668 N TYR A 44 2.952 -4.762 -0.766 1.00 0.00 N ATOM 669 CA TYR A 44 1.875 -5.278 0.051 1.00 0.00 C ATOM 670 C TYR A 44 2.061 -4.752 1.466 1.00 0.00 C ATOM 671 O TYR A 44 3.120 -4.892 2.081 1.00 0.00 O ATOM 672 CB TYR A 44 1.834 -6.803 -0.019 1.00 0.00 C ATOM 673 CG TYR A 44 0.814 -7.419 0.913 1.00 0.00 C ATOM 674 CD1 TYR A 44 -0.556 -7.346 0.598 1.00 0.00 C ATOM 675 CD2 TYR A 44 1.233 -8.066 2.092 1.00 0.00 C ATOM 676 CE1 TYR A 44 -1.506 -7.956 1.434 1.00 0.00 C ATOM 677 CE2 TYR A 44 0.285 -8.677 2.932 1.00 0.00 C ATOM 678 CZ TYR A 44 -1.086 -8.631 2.602 1.00 0.00 C ATOM 679 OH TYR A 44 -2.004 -9.239 3.401 1.00 0.00 O ATOM 0 H TYR A 44 3.872 -5.080 -0.461 1.00 0.00 H new ATOM 0 HA TYR A 44 0.908 -4.937 -0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.611 -7.107 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.821 -7.197 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.878 -6.820 -0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.281 -8.093 2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.556 -7.909 1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.607 -9.182 3.831 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.549 -9.658 4.161 1.00 0.00 H new ATOM 689 N ASN A 45 1.021 -4.097 1.960 1.00 0.00 N ATOM 690 CA ASN A 45 0.891 -3.562 3.297 1.00 0.00 C ATOM 691 C ASN A 45 0.091 -4.558 4.121 1.00 0.00 C ATOM 692 O ASN A 45 -1.122 -4.404 4.274 1.00 0.00 O ATOM 693 CB ASN A 45 0.187 -2.204 3.231 1.00 0.00 C ATOM 694 CG ASN A 45 -0.101 -1.668 4.620 1.00 0.00 C ATOM 695 OD1 ASN A 45 0.763 -1.617 5.484 1.00 0.00 O ATOM 696 ND2 ASN A 45 -1.343 -1.300 4.874 1.00 0.00 N ATOM 0 H ASN A 45 0.192 -3.916 1.394 1.00 0.00 H new ATOM 0 HA ASN A 45 1.866 -3.412 3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.810 -1.494 2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.746 -2.301 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.596 -0.966 5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.050 -1.350 4.140 1.00 0.00 H new ATOM 703 N ALA A 46 0.767 -5.564 4.675 1.00 0.00 N ATOM 704 CA ALA A 46 0.178 -6.559 5.571 1.00 0.00 C ATOM 705 C ALA A 46 -0.551 -5.912 6.756 1.00 0.00 C ATOM 706 O ALA A 46 -1.493 -6.485 7.304 1.00 0.00 O ATOM 707 CB ALA A 46 1.290 -7.458 6.110 1.00 0.00 C ATOM 0 H ALA A 46 1.762 -5.713 4.510 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.553 -7.132 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.862 -8.204 6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.788 -7.959 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.014 -6.853 6.656 1.00 0.00 H new ATOM 713 N GLN A 47 -0.139 -4.702 7.145 1.00 0.00 N ATOM 714 CA GLN A 47 -0.756 -3.926 8.198 1.00 0.00 C ATOM 715 C GLN A 47 -2.267 -3.771 7.991 1.00 0.00 C ATOM 716 O GLN A 47 -3.013 -3.951 8.954 1.00 0.00 O ATOM 717 CB GLN A 47 -0.044 -2.570 8.273 1.00 0.00 C ATOM 718 CG GLN A 47 0.244 -2.204 9.718 1.00 0.00 C ATOM 719 CD GLN A 47 1.069 -0.917 9.826 1.00 0.00 C ATOM 720 OE1 GLN A 47 2.153 -0.911 10.407 1.00 0.00 O ATOM 721 NE2 GLN A 47 0.625 0.172 9.218 1.00 0.00 N ATOM 0 H GLN A 47 0.658 -4.231 6.716 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.646 -4.450 9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.888 -2.609 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.664 -1.800 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.696 -2.079 10.256 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.781 -3.021 10.200 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.275 0.157 8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.183 1.026 9.229 1.00 0.00 H new ATOM 730 N SER A 48 -2.705 -3.526 6.752 1.00 0.00 N ATOM 731 CA SER A 48 -4.105 -3.346 6.375 1.00 0.00 C ATOM 732 C SER A 48 -4.498 -4.252 5.200 1.00 0.00 C ATOM 733 O SER A 48 -5.467 -3.966 4.501 1.00 0.00 O ATOM 734 CB SER A 48 -4.345 -1.886 5.985 1.00 0.00 C ATOM 735 OG SER A 48 -3.865 -0.979 6.961 1.00 0.00 O ATOM 0 H SER A 48 -2.070 -3.445 5.958 1.00 0.00 H new ATOM 0 HA SER A 48 -4.719 -3.617 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.856 -1.682 5.032 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.413 -1.724 5.836 1.00 0.00 H new ATOM 0 HG SER A 48 -4.039 -0.060 6.667 1.00 0.00 H new ATOM 741 N GLN A 49 -3.687 -5.270 4.901 1.00 0.00 N ATOM 742 CA GLN A 49 -3.770 -6.153 3.734 1.00 0.00 C ATOM 743 C GLN A 49 -3.880 -5.416 2.387 1.00 0.00 C ATOM 744 O GLN A 49 -4.329 -5.984 1.394 1.00 0.00 O ATOM 745 CB GLN A 49 -4.897 -7.184 3.938 1.00 0.00 C ATOM 746 CG GLN A 49 -4.872 -7.797 5.346 1.00 0.00 C ATOM 747 CD GLN A 49 -5.847 -8.953 5.502 1.00 0.00 C ATOM 748 OE1 GLN A 49 -7.012 -8.884 5.121 1.00 0.00 O ATOM 749 NE2 GLN A 49 -5.401 -10.033 6.119 1.00 0.00 N ATOM 0 H GLN A 49 -2.904 -5.516 5.507 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.818 -6.679 3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.861 -6.705 3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.801 -7.977 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.863 -8.146 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.110 -7.025 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.431 -10.078 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.027 -10.821 6.283 1.00 0.00 H new ATOM 758 N GLN A 50 -3.507 -4.136 2.351 1.00 0.00 N ATOM 759 CA GLN A 50 -3.724 -3.257 1.213 1.00 0.00 C ATOM 760 C GLN A 50 -2.513 -3.306 0.283 1.00 0.00 C ATOM 761 O GLN A 50 -1.414 -3.659 0.713 1.00 0.00 O ATOM 762 CB GLN A 50 -4.042 -1.839 1.730 1.00 0.00 C ATOM 763 CG GLN A 50 -5.301 -1.222 1.096 1.00 0.00 C ATOM 764 CD GLN A 50 -6.622 -1.979 1.307 1.00 0.00 C ATOM 765 OE1 GLN A 50 -7.650 -1.621 0.740 1.00 0.00 O ATOM 766 NE2 GLN A 50 -6.694 -2.989 2.156 1.00 0.00 N ATOM 0 H GLN A 50 -3.036 -3.677 3.131 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.579 -3.586 0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.170 -1.876 2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.190 -1.189 1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.421 -0.213 1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.131 -1.128 0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.856 -3.308 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.588 -3.450 2.326 1.00 0.00 H new ATOM 775 N TYR A 51 -2.678 -2.925 -0.980 1.00 0.00 N ATOM 776 CA TYR A 51 -1.579 -2.824 -1.931 1.00 0.00 C ATOM 777 C TYR A 51 -1.143 -1.366 -2.015 1.00 0.00 C ATOM 778 O TYR A 51 -1.953 -0.447 -1.901 1.00 0.00 O ATOM 779 CB TYR A 51 -2.008 -3.349 -3.310 1.00 0.00 C ATOM 780 CG TYR A 51 -1.995 -4.862 -3.514 1.00 0.00 C ATOM 781 CD1 TYR A 51 -2.464 -5.763 -2.532 1.00 0.00 C ATOM 782 CD2 TYR A 51 -1.531 -5.372 -4.743 1.00 0.00 C ATOM 783 CE1 TYR A 51 -2.473 -7.148 -2.781 1.00 0.00 C ATOM 784 CE2 TYR A 51 -1.546 -6.753 -5.002 1.00 0.00 C ATOM 785 CZ TYR A 51 -2.039 -7.648 -4.030 1.00 0.00 C ATOM 786 OH TYR A 51 -2.209 -8.963 -4.333 1.00 0.00 O ATOM 0 H TYR A 51 -3.585 -2.676 -1.374 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.741 -3.435 -1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.018 -2.990 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.356 -2.901 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.818 -5.386 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.159 -4.693 -5.496 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.812 -7.831 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.180 -7.129 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.857 -9.140 -5.230 1.00 0.00 H new ATOM 796 N LEU A 52 0.147 -1.145 -2.231 1.00 0.00 N ATOM 797 CA LEU A 52 0.776 0.163 -2.333 1.00 0.00 C ATOM 798 C LEU A 52 1.816 0.100 -3.459 1.00 0.00 C ATOM 799 O LEU A 52 1.973 -0.937 -4.100 1.00 0.00 O ATOM 800 CB LEU A 52 1.440 0.551 -0.999 1.00 0.00 C ATOM 801 CG LEU A 52 0.551 0.614 0.259 1.00 0.00 C ATOM 802 CD1 LEU A 52 1.443 0.908 1.460 1.00 0.00 C ATOM 803 CD2 LEU A 52 -0.528 1.701 0.246 1.00 0.00 C ATOM 0 H LEU A 52 0.813 -1.909 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 52 0.028 0.924 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.243 -0.161 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.905 1.528 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 52 0.040 -0.348 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.834 0.957 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.184 0.116 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.950 1.862 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.097 1.660 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.057 2.680 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.199 1.538 -0.598 1.00 0.00 H new ATOM 815 N TYR A 53 2.547 1.180 -3.706 1.00 0.00 N ATOM 816 CA TYR A 53 3.727 1.217 -4.555 1.00 0.00 C ATOM 817 C TYR A 53 4.731 2.186 -3.934 1.00 0.00 C ATOM 818 O TYR A 53 4.330 3.135 -3.252 1.00 0.00 O ATOM 819 CB TYR A 53 3.344 1.587 -5.998 1.00 0.00 C ATOM 820 CG TYR A 53 2.817 2.989 -6.261 1.00 0.00 C ATOM 821 CD1 TYR A 53 1.497 3.329 -5.912 1.00 0.00 C ATOM 822 CD2 TYR A 53 3.610 3.923 -6.955 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.956 4.572 -6.273 1.00 0.00 C ATOM 824 CE2 TYR A 53 3.080 5.175 -7.319 1.00 0.00 C ATOM 825 CZ TYR A 53 1.745 5.498 -6.990 1.00 0.00 C ATOM 826 OH TYR A 53 1.193 6.679 -7.383 1.00 0.00 O ATOM 0 H TYR A 53 2.323 2.090 -3.303 1.00 0.00 H new ATOM 0 HA TYR A 53 4.194 0.234 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.223 1.438 -6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.588 0.878 -6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.893 2.625 -5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.630 3.677 -7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.060 4.820 -6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.694 5.888 -7.849 1.00 0.00 H new ATOM 0 HH TYR A 53 1.862 7.209 -7.865 1.00 0.00 H new ATOM 836 N TRP A 54 6.027 1.936 -4.139 1.00 0.00 N ATOM 837 CA TRP A 54 7.075 2.898 -3.821 1.00 0.00 C ATOM 838 C TRP A 54 7.207 3.811 -5.030 1.00 0.00 C ATOM 839 O TRP A 54 7.179 3.331 -6.168 1.00 0.00 O ATOM 840 CB TRP A 54 8.414 2.197 -3.542 1.00 0.00 C ATOM 841 CG TRP A 54 9.610 3.104 -3.555 1.00 0.00 C ATOM 842 CD1 TRP A 54 10.524 3.176 -4.549 1.00 0.00 C ATOM 843 CD2 TRP A 54 9.981 4.152 -2.610 1.00 0.00 C ATOM 844 NE1 TRP A 54 11.446 4.162 -4.272 1.00 0.00 N ATOM 845 CE2 TRP A 54 11.162 4.802 -3.081 1.00 0.00 C ATOM 846 CE3 TRP A 54 9.413 4.635 -1.415 1.00 0.00 C ATOM 847 CZ2 TRP A 54 11.767 5.855 -2.375 1.00 0.00 C ATOM 848 CZ3 TRP A 54 10.008 5.684 -0.694 1.00 0.00 C ATOM 849 CH2 TRP A 54 11.190 6.285 -1.165 1.00 0.00 C ATOM 0 H TRP A 54 6.375 1.060 -4.530 1.00 0.00 H new ATOM 0 HA TRP A 54 6.816 3.456 -2.921 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.357 1.707 -2.570 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.561 1.414 -4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.530 2.552 -5.431 1.00 0.00 H new ATOM 0 HE1 TRP A 54 12.239 4.391 -4.871 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.501 4.190 -1.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.661 6.327 -2.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.557 6.030 0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.655 7.077 -0.597 1.00 0.00 H new ATOM 860 N ASP A 55 7.383 5.106 -4.791 1.00 0.00 N ATOM 861 CA ASP A 55 7.436 6.100 -5.843 1.00 0.00 C ATOM 862 C ASP A 55 8.594 7.057 -5.599 1.00 0.00 C ATOM 863 O ASP A 55 8.569 7.834 -4.643 1.00 0.00 O ATOM 864 CB ASP A 55 6.119 6.873 -5.887 1.00 0.00 C ATOM 865 CG ASP A 55 6.286 8.085 -6.788 1.00 0.00 C ATOM 866 OD1 ASP A 55 6.868 7.920 -7.884 1.00 0.00 O ATOM 867 OD2 ASP A 55 5.916 9.189 -6.320 1.00 0.00 O ATOM 0 H ASP A 55 7.493 5.492 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 55 7.590 5.600 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.319 6.233 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.833 7.187 -4.883 1.00 0.00 H new ATOM 872 N GLY A 56 9.597 7.035 -6.475 1.00 0.00 N ATOM 873 CA GLY A 56 10.732 7.942 -6.423 1.00 0.00 C ATOM 874 C GLY A 56 10.397 9.367 -6.878 1.00 0.00 C ATOM 875 O GLY A 56 11.205 10.275 -6.655 1.00 0.00 O ATOM 0 H GLY A 56 9.640 6.375 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.114 7.975 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.531 7.547 -7.050 1.00 0.00 H new ATOM 879 N GLU A 57 9.232 9.610 -7.494 1.00 0.00 N ATOM 880 CA GLU A 57 8.826 10.961 -7.880 1.00 0.00 C ATOM 881 C GLU A 57 8.574 11.785 -6.614 1.00 0.00 C ATOM 882 O GLU A 57 8.909 12.969 -6.569 1.00 0.00 O ATOM 883 CB GLU A 57 7.575 10.964 -8.775 1.00 0.00 C ATOM 884 CG GLU A 57 7.673 10.081 -10.035 1.00 0.00 C ATOM 885 CD GLU A 57 7.687 10.888 -11.327 1.00 0.00 C ATOM 886 OE1 GLU A 57 6.669 11.532 -11.639 1.00 0.00 O ATOM 887 OE2 GLU A 57 8.687 10.794 -12.083 1.00 0.00 O ATOM 0 H GLU A 57 8.556 8.885 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 57 9.632 11.403 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.722 10.632 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.370 11.989 -9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.579 9.478 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.831 9.390 -10.054 1.00 0.00 H new ATOM 894 N ARG A 58 8.047 11.152 -5.561 1.00 0.00 N ATOM 895 CA ARG A 58 7.696 11.797 -4.295 1.00 0.00 C ATOM 896 C ARG A 58 8.453 11.208 -3.100 1.00 0.00 C ATOM 897 O ARG A 58 8.338 11.754 -2.004 1.00 0.00 O ATOM 898 CB ARG A 58 6.173 11.705 -4.117 1.00 0.00 C ATOM 899 CG ARG A 58 5.400 12.456 -5.220 1.00 0.00 C ATOM 900 CD ARG A 58 3.912 12.125 -5.092 1.00 0.00 C ATOM 901 NE ARG A 58 3.010 13.153 -5.625 1.00 0.00 N ATOM 902 CZ ARG A 58 2.375 13.101 -6.802 1.00 0.00 C ATOM 903 NH1 ARG A 58 2.689 12.202 -7.729 1.00 0.00 N ATOM 904 NH2 ARG A 58 1.397 13.960 -7.043 1.00 0.00 N ATOM 0 H ARG A 58 7.848 10.152 -5.567 1.00 0.00 H new ATOM 0 HA ARG A 58 8.000 12.843 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.874 10.657 -4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.899 12.114 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.557 13.531 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.768 12.165 -6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.716 11.185 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.678 11.965 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 58 2.853 13.979 -5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.432 11.526 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.186 12.188 -8.617 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.137 14.648 -6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.903 13.933 -7.935 1.00 0.00 H new ATOM 918 N ARG A 59 9.255 10.154 -3.295 1.00 0.00 N ATOM 919 CA ARG A 59 9.947 9.374 -2.260 1.00 0.00 C ATOM 920 C ARG A 59 8.975 8.976 -1.152 1.00 0.00 C ATOM 921 O ARG A 59 9.240 9.217 0.025 1.00 0.00 O ATOM 922 CB ARG A 59 11.199 10.104 -1.728 1.00 0.00 C ATOM 923 CG ARG A 59 12.211 10.463 -2.825 1.00 0.00 C ATOM 924 CD ARG A 59 13.346 11.331 -2.262 1.00 0.00 C ATOM 925 NE ARG A 59 14.609 10.589 -2.122 1.00 0.00 N ATOM 926 CZ ARG A 59 15.604 10.558 -3.020 1.00 0.00 C ATOM 927 NH1 ARG A 59 15.502 11.126 -4.218 1.00 0.00 N ATOM 928 NH2 ARG A 59 16.738 9.945 -2.712 1.00 0.00 N ATOM 0 H ARG A 59 9.450 9.802 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 59 10.315 8.453 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.889 11.016 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.689 9.474 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.625 9.551 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.706 10.996 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.503 12.188 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.050 11.724 -1.289 1.00 0.00 H new ATOM 0 HE ARG A 59 14.739 10.050 -1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.643 11.608 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.283 11.080 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.847 9.503 -1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.502 9.915 -3.388 1.00 0.00 H new ATOM 942 N THR A 60 7.837 8.380 -1.497 1.00 0.00 N ATOM 943 CA THR A 60 6.859 7.973 -0.499 1.00 0.00 C ATOM 944 C THR A 60 6.169 6.687 -0.978 1.00 0.00 C ATOM 945 O THR A 60 6.407 6.225 -2.099 1.00 0.00 O ATOM 946 CB THR A 60 5.942 9.186 -0.203 1.00 0.00 C ATOM 947 OG1 THR A 60 5.366 9.113 1.089 1.00 0.00 O ATOM 948 CG2 THR A 60 4.833 9.373 -1.239 1.00 0.00 C ATOM 0 H THR A 60 7.572 8.169 -2.459 1.00 0.00 H new ATOM 0 HA THR A 60 7.299 7.705 0.462 1.00 0.00 H new ATOM 0 HB THR A 60 6.600 10.054 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.796 9.896 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.228 10.239 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.276 9.529 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.203 8.484 -1.262 1.00 0.00 H new ATOM 956 N TYR A 61 5.331 6.108 -0.119 1.00 0.00 N ATOM 957 CA TYR A 61 4.586 4.877 -0.374 1.00 0.00 C ATOM 958 C TYR A 61 3.102 5.223 -0.495 1.00 0.00 C ATOM 959 O TYR A 61 2.520 5.803 0.426 1.00 0.00 O ATOM 960 CB TYR A 61 4.835 3.850 0.736 1.00 0.00 C ATOM 961 CG TYR A 61 6.268 3.357 0.871 1.00 0.00 C ATOM 962 CD1 TYR A 61 6.742 2.308 0.057 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.113 3.902 1.855 1.00 0.00 C ATOM 964 CE1 TYR A 61 7.993 1.715 0.309 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.390 3.355 2.072 1.00 0.00 C ATOM 966 CZ TYR A 61 8.814 2.221 1.342 1.00 0.00 C ATOM 967 OH TYR A 61 9.993 1.615 1.653 1.00 0.00 O ATOM 0 H TYR A 61 5.146 6.497 0.806 1.00 0.00 H new ATOM 0 HA TYR A 61 4.925 4.424 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.530 4.289 1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.189 2.989 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.139 1.956 -0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.780 4.743 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.325 0.876 -0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.050 3.803 2.800 1.00 0.00 H new ATOM 0 HH TYR A 61 10.618 2.280 2.010 1.00 0.00 H new ATOM 977 N VAL A 62 2.502 4.937 -1.645 1.00 0.00 N ATOM 978 CA VAL A 62 1.157 5.370 -2.047 1.00 0.00 C ATOM 979 C VAL A 62 0.280 4.188 -2.471 1.00 0.00 C ATOM 980 O VAL A 62 0.825 3.153 -2.827 1.00 0.00 O ATOM 981 CB VAL A 62 1.256 6.456 -3.137 1.00 0.00 C ATOM 982 CG1 VAL A 62 1.179 7.843 -2.492 1.00 0.00 C ATOM 983 CG2 VAL A 62 2.543 6.377 -3.975 1.00 0.00 C ATOM 0 H VAL A 62 2.957 4.370 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 62 0.661 5.811 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 62 0.419 6.282 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.249 8.608 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.231 7.947 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.002 7.963 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.541 7.172 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.409 6.492 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.592 5.410 -4.476 1.00 0.00 H new ATOM 993 N PRO A 63 -1.061 4.293 -2.422 1.00 0.00 N ATOM 994 CA PRO A 63 -1.945 3.172 -2.721 1.00 0.00 C ATOM 995 C PRO A 63 -2.008 2.878 -4.220 1.00 0.00 C ATOM 996 O PRO A 63 -2.491 3.697 -5.000 1.00 0.00 O ATOM 997 CB PRO A 63 -3.309 3.567 -2.157 1.00 0.00 C ATOM 998 CG PRO A 63 -3.299 5.094 -2.200 1.00 0.00 C ATOM 999 CD PRO A 63 -1.833 5.431 -1.939 1.00 0.00 C ATOM 0 HA PRO A 63 -1.582 2.248 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.122 3.156 -2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.443 3.197 -1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.636 5.474 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.954 5.524 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.545 6.345 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.655 5.599 -0.877 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.592 1.678 -4.637 1.00 0.00 N ATOM 1008 CA ALA A 64 -1.641 1.266 -6.043 1.00 0.00 C ATOM 1009 C ALA A 64 -3.032 0.769 -6.449 1.00 0.00 C ATOM 1010 O ALA A 64 -3.163 -0.076 -7.327 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.556 0.222 -6.329 1.00 0.00 C ATOM 0 H ALA A 64 -1.213 0.967 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.439 2.143 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.604 -0.075 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.424 0.649 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.716 -0.651 -5.697 1.00 0.00 H new