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= -0.248 K(o=-0.24,f=-1.4) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0.00579 USER MOD Set 2.1: A 18 TYR OH : rot -15:sc= 0.0726 USER MOD Set 2.2: A 43 TYR OH : rot -165:sc= 0.0746 USER MOD Set 2.3: A 61 TYR OH : rot 154:sc= 0.106 USER MOD Set 3.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 41 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -36:sc= 0.506 USER MOD Single : A 17 THR OG1 : rot -65:sc= 1.28 USER MOD Single : A 19 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 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= -0.105 K(o=-0.11,f=-3.1!) USER MOD Single : A 32 THR OG1 : rot -150:sc= 0 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 180:sc= 0 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= -0.35 K(o=-0.35,f=-1.6) 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 14.463 6.963 0.335 1.00 0.00 N ATOM 135 CA TYR A 10 14.787 5.558 0.086 1.00 0.00 C ATOM 136 C TYR A 10 15.469 5.439 -1.290 1.00 0.00 C ATOM 137 O TYR A 10 15.533 6.426 -2.036 1.00 0.00 O ATOM 138 CB TYR A 10 13.506 4.729 0.232 1.00 0.00 C ATOM 139 CG TYR A 10 13.240 4.299 1.662 1.00 0.00 C ATOM 140 CD1 TYR A 10 12.717 5.222 2.588 1.00 0.00 C ATOM 141 CD2 TYR A 10 13.545 2.988 2.080 1.00 0.00 C ATOM 142 CE1 TYR A 10 12.471 4.838 3.917 1.00 0.00 C ATOM 143 CE2 TYR A 10 13.326 2.603 3.413 1.00 0.00 C ATOM 144 CZ TYR A 10 12.787 3.524 4.337 1.00 0.00 C ATOM 145 OH TYR A 10 12.571 3.126 5.619 1.00 0.00 O ATOM 0 HA TYR A 10 15.497 5.162 0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.659 5.312 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 10 13.578 3.844 -0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 10 12.503 6.233 2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.948 2.278 1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 10 12.043 5.542 4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 10 13.570 1.600 3.732 1.00 0.00 H new ATOM 0 HH TYR A 10 12.847 2.191 5.722 1.00 0.00 H new ATOM 155 N PRO A 11 16.092 4.288 -1.604 1.00 0.00 N ATOM 156 CA PRO A 11 16.578 3.970 -2.947 1.00 0.00 C ATOM 157 C PRO A 11 15.421 3.831 -3.949 1.00 0.00 C ATOM 158 O PRO A 11 14.262 4.043 -3.609 1.00 0.00 O ATOM 159 CB PRO A 11 17.365 2.666 -2.786 1.00 0.00 C ATOM 160 CG PRO A 11 16.600 1.980 -1.662 1.00 0.00 C ATOM 161 CD PRO A 11 16.282 3.140 -0.731 1.00 0.00 C ATOM 0 HA PRO A 11 17.204 4.764 -3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 11 17.367 2.073 -3.701 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.407 2.847 -2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.696 1.490 -2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.201 1.216 -1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.386 2.939 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.094 3.312 -0.025 1.00 0.00 H new ATOM 169 N VAL A 12 15.739 3.462 -5.190 1.00 0.00 N ATOM 170 CA VAL A 12 14.783 3.238 -6.270 1.00 0.00 C ATOM 171 C VAL A 12 14.836 1.737 -6.614 1.00 0.00 C ATOM 172 O VAL A 12 15.649 1.340 -7.450 1.00 0.00 O ATOM 173 CB VAL A 12 15.081 4.199 -7.443 1.00 0.00 C ATOM 174 CG1 VAL A 12 14.070 4.057 -8.586 1.00 0.00 C ATOM 175 CG2 VAL A 12 15.033 5.664 -6.970 1.00 0.00 C ATOM 0 H VAL A 12 16.705 3.306 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 12 13.756 3.469 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 12 16.075 3.933 -7.803 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.324 4.754 -9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.097 3.038 -8.971 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.069 4.278 -8.216 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.245 6.325 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.042 5.887 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 12 15.778 5.819 -6.189 1.00 0.00 H new ATOM 185 N PRO A 13 14.073 0.877 -5.907 1.00 0.00 N ATOM 186 CA PRO A 13 14.097 -0.567 -6.106 1.00 0.00 C ATOM 187 C PRO A 13 13.540 -0.970 -7.475 1.00 0.00 C ATOM 188 O PRO A 13 13.000 -0.149 -8.226 1.00 0.00 O ATOM 189 CB PRO A 13 13.250 -1.158 -4.967 1.00 0.00 C ATOM 190 CG PRO A 13 12.274 -0.034 -4.638 1.00 0.00 C ATOM 191 CD PRO A 13 13.141 1.207 -4.840 1.00 0.00 C ATOM 0 HA PRO A 13 15.120 -0.944 -6.088 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.730 -2.064 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.863 -1.424 -4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.408 -0.039 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.897 -0.107 -3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.531 2.070 -5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.672 1.465 -3.924 1.00 0.00 H new ATOM 199 N ASP A 14 13.621 -2.270 -7.755 1.00 0.00 N ATOM 200 CA ASP A 14 12.943 -2.981 -8.832 1.00 0.00 C ATOM 201 C ASP A 14 12.561 -4.335 -8.238 1.00 0.00 C ATOM 202 O ASP A 14 13.439 -5.035 -7.718 1.00 0.00 O ATOM 203 CB ASP A 14 13.890 -3.161 -10.033 1.00 0.00 C ATOM 204 CG ASP A 14 13.270 -3.865 -11.243 1.00 0.00 C ATOM 205 OD1 ASP A 14 12.162 -4.426 -11.122 1.00 0.00 O ATOM 206 OD2 ASP A 14 13.953 -3.944 -12.295 1.00 0.00 O ATOM 0 H ASP A 14 14.202 -2.894 -7.196 1.00 0.00 H new ATOM 0 HA ASP A 14 12.071 -2.439 -9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.247 -2.180 -10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.762 -3.729 -9.708 1.00 0.00 H new ATOM 211 N VAL A 15 11.285 -4.720 -8.289 1.00 0.00 N ATOM 212 CA VAL A 15 10.810 -6.033 -7.840 1.00 0.00 C ATOM 213 C VAL A 15 11.561 -7.174 -8.543 1.00 0.00 C ATOM 214 O VAL A 15 11.697 -8.259 -7.984 1.00 0.00 O ATOM 215 CB VAL A 15 9.277 -6.125 -8.013 1.00 0.00 C ATOM 216 CG1 VAL A 15 8.823 -5.807 -9.448 1.00 0.00 C ATOM 217 CG2 VAL A 15 8.697 -7.482 -7.597 1.00 0.00 C ATOM 0 H VAL A 15 10.541 -4.122 -8.648 1.00 0.00 H new ATOM 0 HA VAL A 15 11.027 -6.146 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 15 8.885 -5.364 -7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.738 -5.887 -9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.129 -4.794 -9.710 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.280 -6.515 -10.140 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.617 -7.477 -7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.142 -8.270 -8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.919 -7.666 -6.546 1.00 0.00 H new ATOM 227 N SER A 16 12.144 -6.931 -9.720 1.00 0.00 N ATOM 228 CA SER A 16 12.961 -7.894 -10.443 1.00 0.00 C ATOM 229 C SER A 16 14.283 -8.200 -9.715 1.00 0.00 C ATOM 230 O SER A 16 15.105 -8.938 -10.264 1.00 0.00 O ATOM 231 CB SER A 16 13.207 -7.307 -11.832 1.00 0.00 C ATOM 232 OG SER A 16 13.909 -8.189 -12.690 1.00 0.00 O ATOM 0 H SER A 16 12.056 -6.037 -10.203 1.00 0.00 H new ATOM 0 HA SER A 16 12.444 -8.851 -10.511 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.250 -7.052 -12.287 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.771 -6.379 -11.734 1.00 0.00 H new ATOM 0 HG SER A 16 14.571 -8.692 -12.171 1.00 0.00 H new ATOM 238 N THR A 17 14.521 -7.624 -8.533 1.00 0.00 N ATOM 239 CA THR A 17 15.667 -7.900 -7.679 1.00 0.00 C ATOM 240 C THR A 17 15.222 -8.555 -6.358 1.00 0.00 C ATOM 241 O THR A 17 16.045 -8.736 -5.457 1.00 0.00 O ATOM 242 CB THR A 17 16.496 -6.613 -7.484 1.00 0.00 C ATOM 243 OG1 THR A 17 15.801 -5.612 -6.754 1.00 0.00 O ATOM 244 CG2 THR A 17 16.946 -5.983 -8.805 1.00 0.00 C ATOM 0 H THR A 17 13.893 -6.926 -8.134 1.00 0.00 H new ATOM 0 HA THR A 17 16.321 -8.626 -8.161 1.00 0.00 H new ATOM 0 HB THR A 17 17.366 -6.948 -6.920 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.024 -5.311 -7.270 1.00 0.00 H new ATOM 0 HG21 THR A 17 17.524 -5.082 -8.600 1.00 0.00 H new ATOM 0 HG22 THR A 17 17.563 -6.693 -9.355 1.00 0.00 H new ATOM 0 HG23 THR A 17 16.071 -5.725 -9.402 1.00 0.00 H new ATOM 252 N TYR A 18 13.926 -8.844 -6.178 1.00 0.00 N ATOM 253 CA TYR A 18 13.397 -9.453 -4.958 1.00 0.00 C ATOM 254 C TYR A 18 13.527 -10.968 -5.046 1.00 0.00 C ATOM 255 O TYR A 18 13.940 -11.517 -6.074 1.00 0.00 O ATOM 256 CB TYR A 18 11.934 -9.036 -4.745 1.00 0.00 C ATOM 257 CG TYR A 18 11.711 -7.571 -4.441 1.00 0.00 C ATOM 258 CD1 TYR A 18 12.786 -6.681 -4.270 1.00 0.00 C ATOM 259 CD2 TYR A 18 10.398 -7.100 -4.319 1.00 0.00 C ATOM 260 CE1 TYR A 18 12.553 -5.316 -4.062 1.00 0.00 C ATOM 261 CE2 TYR A 18 10.145 -5.735 -4.107 1.00 0.00 C ATOM 262 CZ TYR A 18 11.227 -4.838 -3.964 1.00 0.00 C ATOM 263 OH TYR A 18 11.004 -3.523 -3.707 1.00 0.00 O ATOM 0 H TYR A 18 13.213 -8.659 -6.883 1.00 0.00 H new ATOM 0 HA TYR A 18 13.972 -9.104 -4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.367 -9.294 -5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.522 -9.626 -3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 18 13.799 -7.053 -4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.572 -7.793 -4.389 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.384 -4.631 -3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.129 -5.373 -4.054 1.00 0.00 H new ATOM 0 HH TYR A 18 11.831 -3.108 -3.385 1.00 0.00 H new ATOM 273 N GLN A 19 13.164 -11.650 -3.967 1.00 0.00 N ATOM 274 CA GLN A 19 13.248 -13.097 -3.846 1.00 0.00 C ATOM 275 C GLN A 19 11.864 -13.683 -3.588 1.00 0.00 C ATOM 276 O GLN A 19 11.263 -13.397 -2.562 1.00 0.00 O ATOM 277 CB GLN A 19 14.208 -13.454 -2.713 1.00 0.00 C ATOM 278 CG GLN A 19 15.674 -13.142 -3.041 1.00 0.00 C ATOM 279 CD GLN A 19 16.686 -13.923 -2.197 1.00 0.00 C ATOM 280 OE1 GLN A 19 17.843 -14.040 -2.596 1.00 0.00 O ATOM 281 NE2 GLN A 19 16.339 -14.422 -1.018 1.00 0.00 N ATOM 0 H GLN A 19 12.793 -11.199 -3.131 1.00 0.00 H new ATOM 0 HA GLN A 19 13.626 -13.521 -4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.919 -12.907 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.112 -14.515 -2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.853 -13.358 -4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.847 -12.075 -2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.379 -14.326 -0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.032 -14.902 -0.444 1.00 0.00 H new ATOM 290 N TYR A 20 11.326 -14.465 -4.521 1.00 0.00 N ATOM 291 CA TYR A 20 10.058 -15.165 -4.347 1.00 0.00 C ATOM 292 C TYR A 20 10.223 -16.332 -3.377 1.00 0.00 C ATOM 293 O TYR A 20 11.174 -17.109 -3.509 1.00 0.00 O ATOM 294 CB TYR A 20 9.587 -15.658 -5.711 1.00 0.00 C ATOM 295 CG TYR A 20 8.205 -16.268 -5.748 1.00 0.00 C ATOM 296 CD1 TYR A 20 7.078 -15.437 -5.647 1.00 0.00 C ATOM 297 CD2 TYR A 20 8.040 -17.657 -5.877 1.00 0.00 C ATOM 298 CE1 TYR A 20 5.787 -15.988 -5.755 1.00 0.00 C ATOM 299 CE2 TYR A 20 6.756 -18.222 -5.939 1.00 0.00 C ATOM 300 CZ TYR A 20 5.614 -17.384 -5.920 1.00 0.00 C ATOM 301 OH TYR A 20 4.353 -17.896 -5.948 1.00 0.00 O ATOM 0 H TYR A 20 11.763 -14.631 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 20 9.314 -14.488 -3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.613 -14.820 -6.408 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.300 -16.398 -6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.201 -14.376 -5.487 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.909 -18.296 -5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.923 -15.342 -5.712 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.639 -19.294 -6.001 1.00 0.00 H new ATOM 0 HH TYR A 20 4.397 -18.868 -6.068 1.00 0.00 H new ATOM 311 N ASP A 21 9.271 -16.477 -2.458 1.00 0.00 N ATOM 312 CA ASP A 21 9.297 -17.443 -1.348 1.00 0.00 C ATOM 313 C ASP A 21 8.105 -18.387 -1.494 1.00 0.00 C ATOM 314 O ASP A 21 7.076 -18.241 -0.829 1.00 0.00 O ATOM 315 CB ASP A 21 9.335 -16.746 0.030 1.00 0.00 C ATOM 316 CG ASP A 21 10.544 -17.213 0.837 1.00 0.00 C ATOM 317 OD1 ASP A 21 10.520 -18.357 1.348 1.00 0.00 O ATOM 318 OD2 ASP A 21 11.538 -16.460 0.933 1.00 0.00 O ATOM 0 H ASP A 21 8.426 -15.906 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 21 10.217 -18.025 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.377 -15.665 -0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.419 -16.964 0.579 1.00 0.00 H new ATOM 323 N GLU A 22 8.213 -19.328 -2.436 1.00 0.00 N ATOM 324 CA GLU A 22 7.112 -20.168 -2.929 1.00 0.00 C ATOM 325 C GLU A 22 6.389 -20.969 -1.849 1.00 0.00 C ATOM 326 O GLU A 22 5.248 -21.397 -2.034 1.00 0.00 O ATOM 327 CB GLU A 22 7.610 -21.102 -4.028 1.00 0.00 C ATOM 328 CG GLU A 22 8.852 -21.961 -3.794 1.00 0.00 C ATOM 329 CD GLU A 22 8.616 -23.418 -3.363 1.00 0.00 C ATOM 330 OE1 GLU A 22 7.576 -23.748 -2.750 1.00 0.00 O ATOM 331 OE2 GLU A 22 9.481 -24.273 -3.671 1.00 0.00 O ATOM 0 H GLU A 22 9.100 -19.535 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 22 6.372 -19.473 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.791 -21.777 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.799 -20.492 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.437 -21.969 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.462 -21.476 -3.032 1.00 0.00 H new ATOM 338 N THR A 23 7.050 -21.139 -0.712 1.00 0.00 N ATOM 339 CA THR A 23 6.477 -21.691 0.503 1.00 0.00 C ATOM 340 C THR A 23 5.207 -20.893 0.909 1.00 0.00 C ATOM 341 O THR A 23 4.266 -21.502 1.424 1.00 0.00 O ATOM 342 CB THR A 23 7.604 -21.769 1.564 1.00 0.00 C ATOM 343 OG1 THR A 23 7.415 -22.768 2.557 1.00 0.00 O ATOM 344 CG2 THR A 23 7.874 -20.449 2.286 1.00 0.00 C ATOM 0 H THR A 23 8.033 -20.887 -0.609 1.00 0.00 H new ATOM 0 HA THR A 23 6.110 -22.709 0.371 1.00 0.00 H new ATOM 0 HB THR A 23 8.465 -22.035 0.951 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.168 -22.752 3.184 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.676 -20.588 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.169 -19.691 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.970 -20.125 2.802 1.00 0.00 H new ATOM 352 N SER A 24 5.113 -19.583 0.614 1.00 0.00 N ATOM 353 CA SER A 24 3.958 -18.760 0.986 1.00 0.00 C ATOM 354 C SER A 24 3.381 -17.882 -0.133 1.00 0.00 C ATOM 355 O SER A 24 2.238 -17.439 0.022 1.00 0.00 O ATOM 356 CB SER A 24 4.332 -17.892 2.185 1.00 0.00 C ATOM 357 OG SER A 24 4.750 -18.682 3.279 1.00 0.00 O ATOM 0 H SER A 24 5.837 -19.070 0.111 1.00 0.00 H new ATOM 0 HA SER A 24 3.161 -19.463 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.130 -17.204 1.904 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.476 -17.284 2.478 1.00 0.00 H new ATOM 0 HG SER A 24 4.985 -18.100 4.032 1.00 0.00 H new ATOM 363 N GLY A 25 4.092 -17.623 -1.240 1.00 0.00 N ATOM 364 CA GLY A 25 3.501 -16.928 -2.394 1.00 0.00 C ATOM 365 C GLY A 25 3.841 -15.433 -2.473 1.00 0.00 C ATOM 366 O GLY A 25 3.373 -14.752 -3.387 1.00 0.00 O ATOM 0 H GLY A 25 5.071 -17.882 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.840 -17.414 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.418 -17.041 -2.355 1.00 0.00 H new ATOM 370 N TYR A 26 4.658 -14.922 -1.545 1.00 0.00 N ATOM 371 CA TYR A 26 5.113 -13.533 -1.498 1.00 0.00 C ATOM 372 C TYR A 26 6.476 -13.389 -2.174 1.00 0.00 C ATOM 373 O TYR A 26 7.144 -14.383 -2.479 1.00 0.00 O ATOM 374 CB TYR A 26 5.153 -13.078 -0.027 1.00 0.00 C ATOM 375 CG TYR A 26 3.748 -12.939 0.529 1.00 0.00 C ATOM 376 CD1 TYR A 26 2.997 -11.790 0.224 1.00 0.00 C ATOM 377 CD2 TYR A 26 3.136 -14.017 1.198 1.00 0.00 C ATOM 378 CE1 TYR A 26 1.628 -11.733 0.539 1.00 0.00 C ATOM 379 CE2 TYR A 26 1.764 -13.971 1.503 1.00 0.00 C ATOM 380 CZ TYR A 26 0.998 -12.838 1.150 1.00 0.00 C ATOM 381 OH TYR A 26 -0.342 -12.820 1.385 1.00 0.00 O ATOM 0 H TYR A 26 5.032 -15.485 -0.781 1.00 0.00 H new ATOM 0 HA TYR A 26 4.421 -12.894 -2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.715 -13.799 0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.676 -12.125 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.474 -10.947 -0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.722 -14.880 1.477 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.059 -10.844 0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.295 -14.803 2.008 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.611 -13.661 1.810 1.00 0.00 H new ATOM 391 N TYR A 27 6.902 -12.149 -2.395 1.00 0.00 N ATOM 392 CA TYR A 27 8.291 -11.798 -2.635 1.00 0.00 C ATOM 393 C TYR A 27 8.820 -11.215 -1.324 1.00 0.00 C ATOM 394 O TYR A 27 8.046 -10.663 -0.542 1.00 0.00 O ATOM 395 CB TYR A 27 8.399 -10.786 -3.785 1.00 0.00 C ATOM 396 CG TYR A 27 8.001 -11.354 -5.137 1.00 0.00 C ATOM 397 CD1 TYR A 27 6.640 -11.470 -5.472 1.00 0.00 C ATOM 398 CD2 TYR A 27 8.981 -11.819 -6.036 1.00 0.00 C ATOM 399 CE1 TYR A 27 6.254 -12.096 -6.671 1.00 0.00 C ATOM 400 CE2 TYR A 27 8.598 -12.427 -7.246 1.00 0.00 C ATOM 401 CZ TYR A 27 7.231 -12.590 -7.559 1.00 0.00 C ATOM 402 OH TYR A 27 6.844 -13.286 -8.665 1.00 0.00 O ATOM 0 H TYR A 27 6.274 -11.345 -2.412 1.00 0.00 H new ATOM 0 HA TYR A 27 8.878 -12.667 -2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.767 -9.926 -3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.425 -10.421 -3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.887 -11.076 -4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.028 -11.709 -5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.206 -12.198 -6.912 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.353 -12.770 -7.938 1.00 0.00 H new ATOM 0 HH TYR A 27 7.636 -13.557 -9.175 1.00 0.00 H new ATOM 412 N TYR A 28 10.118 -11.345 -1.081 1.00 0.00 N ATOM 413 CA TYR A 28 10.832 -10.787 0.052 1.00 0.00 C ATOM 414 C TYR A 28 11.828 -9.776 -0.490 1.00 0.00 C ATOM 415 O TYR A 28 12.480 -10.025 -1.516 1.00 0.00 O ATOM 416 CB TYR A 28 11.549 -11.910 0.810 1.00 0.00 C ATOM 417 CG TYR A 28 12.450 -11.430 1.936 1.00 0.00 C ATOM 418 CD1 TYR A 28 11.911 -10.686 3.002 1.00 0.00 C ATOM 419 CD2 TYR A 28 13.830 -11.711 1.912 1.00 0.00 C ATOM 420 CE1 TYR A 28 12.737 -10.249 4.050 1.00 0.00 C ATOM 421 CE2 TYR A 28 14.665 -11.285 2.960 1.00 0.00 C ATOM 422 CZ TYR A 28 14.113 -10.568 4.044 1.00 0.00 C ATOM 423 OH TYR A 28 14.908 -10.218 5.094 1.00 0.00 O ATOM 0 H TYR A 28 10.730 -11.871 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 28 10.149 -10.299 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.802 -12.588 1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 28 12.146 -12.486 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.857 -10.450 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.250 -12.258 1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.320 -9.669 4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.722 -11.505 2.936 1.00 0.00 H new ATOM 0 HH TYR A 28 15.826 -10.517 4.923 1.00 0.00 H new ATOM 433 N ASP A 29 11.967 -8.661 0.224 1.00 0.00 N ATOM 434 CA ASP A 29 12.489 -7.428 -0.316 1.00 0.00 C ATOM 435 C ASP A 29 13.713 -7.060 0.533 1.00 0.00 C ATOM 436 O ASP A 29 13.629 -6.196 1.409 1.00 0.00 O ATOM 437 CB ASP A 29 11.420 -6.317 -0.261 1.00 0.00 C ATOM 438 CG ASP A 29 9.979 -6.639 -0.660 1.00 0.00 C ATOM 439 OD1 ASP A 29 9.710 -7.669 -1.310 1.00 0.00 O ATOM 440 OD2 ASP A 29 9.126 -5.834 -0.216 1.00 0.00 O ATOM 0 H ASP A 29 11.713 -8.598 1.210 1.00 0.00 H new ATOM 0 HA ASP A 29 12.768 -7.543 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.399 -5.934 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.762 -5.503 -0.900 1.00 0.00 H new ATOM 445 N PRO A 30 14.879 -7.704 0.366 1.00 0.00 N ATOM 446 CA PRO A 30 15.993 -7.565 1.304 1.00 0.00 C ATOM 447 C PRO A 30 16.533 -6.132 1.439 1.00 0.00 C ATOM 448 O PRO A 30 17.192 -5.809 2.436 1.00 0.00 O ATOM 449 CB PRO A 30 17.070 -8.526 0.794 1.00 0.00 C ATOM 450 CG PRO A 30 16.713 -8.765 -0.674 1.00 0.00 C ATOM 451 CD PRO A 30 15.193 -8.670 -0.669 1.00 0.00 C ATOM 0 HA PRO A 30 15.659 -7.803 2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 30 18.066 -8.094 0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 30 17.069 -9.458 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.163 -8.017 -1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.057 -9.740 -1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.815 -8.346 -1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.738 -9.637 -0.457 1.00 0.00 H new ATOM 459 N GLN A 31 16.261 -5.258 0.471 1.00 0.00 N ATOM 460 CA GLN A 31 16.687 -3.861 0.473 1.00 0.00 C ATOM 461 C GLN A 31 15.967 -3.058 1.570 1.00 0.00 C ATOM 462 O GLN A 31 16.473 -2.032 2.038 1.00 0.00 O ATOM 463 CB GLN A 31 16.353 -3.308 -0.920 1.00 0.00 C ATOM 464 CG GLN A 31 17.087 -2.030 -1.331 1.00 0.00 C ATOM 465 CD GLN A 31 16.808 -1.688 -2.800 1.00 0.00 C ATOM 466 OE1 GLN A 31 16.173 -0.683 -3.100 1.00 0.00 O ATOM 467 NE2 GLN A 31 17.272 -2.491 -3.745 1.00 0.00 N ATOM 0 H GLN A 31 15.724 -5.510 -0.358 1.00 0.00 H new ATOM 0 HA GLN A 31 17.753 -3.780 0.686 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.571 -4.081 -1.657 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.281 -3.117 -0.965 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.771 -1.203 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.159 -2.157 -1.180 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.800 -3.326 -3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.102 -2.275 -4.727 1.00 0.00 H new ATOM 476 N THR A 32 14.807 -3.541 2.006 1.00 0.00 N ATOM 477 CA THR A 32 13.919 -2.961 3.003 1.00 0.00 C ATOM 478 C THR A 32 13.868 -3.938 4.184 1.00 0.00 C ATOM 479 O THR A 32 14.301 -3.595 5.288 1.00 0.00 O ATOM 480 CB THR A 32 12.559 -2.633 2.313 1.00 0.00 C ATOM 481 OG1 THR A 32 12.353 -3.442 1.166 1.00 0.00 O ATOM 482 CG2 THR A 32 12.686 -1.199 1.777 1.00 0.00 C ATOM 0 H THR A 32 14.436 -4.418 1.641 1.00 0.00 H new ATOM 0 HA THR A 32 14.259 -2.011 3.414 1.00 0.00 H new ATOM 0 HB THR A 32 11.750 -2.786 3.028 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.810 -2.952 0.514 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.759 -0.913 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.880 -0.517 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.509 -1.148 1.065 1.00 0.00 H new ATOM 490 N GLY A 33 13.457 -5.177 3.928 1.00 0.00 N ATOM 491 CA GLY A 33 13.130 -6.223 4.896 1.00 0.00 C ATOM 492 C GLY A 33 11.640 -6.567 4.844 1.00 0.00 C ATOM 493 O GLY A 33 11.201 -7.525 5.489 1.00 0.00 O ATOM 0 H GLY A 33 13.334 -5.501 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.721 -7.115 4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.396 -5.892 5.900 1.00 0.00 H new ATOM 497 N LEU A 34 10.887 -5.775 4.073 1.00 0.00 N ATOM 498 CA LEU A 34 9.517 -5.933 3.679 1.00 0.00 C ATOM 499 C LEU A 34 9.313 -7.238 2.910 1.00 0.00 C ATOM 500 O LEU A 34 10.263 -7.874 2.454 1.00 0.00 O ATOM 501 CB LEU A 34 9.234 -4.734 2.755 1.00 0.00 C ATOM 502 CG LEU A 34 9.199 -3.343 3.422 1.00 0.00 C ATOM 503 CD1 LEU A 34 9.810 -3.133 4.815 1.00 0.00 C ATOM 504 CD2 LEU A 34 9.314 -2.154 2.449 1.00 0.00 C ATOM 0 H LEU A 34 11.282 -4.922 3.677 1.00 0.00 H new ATOM 0 HA LEU A 34 8.852 -5.969 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.994 -4.719 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.275 -4.901 2.264 1.00 0.00 H new ATOM 0 HG LEU A 34 8.160 -3.358 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.688 -2.092 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.305 -3.778 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.871 -3.380 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.280 -1.220 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.258 -2.217 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.486 -2.182 1.741 1.00 0.00 H new ATOM 516 N TYR A 35 8.044 -7.569 2.718 1.00 0.00 N ATOM 517 CA TYR A 35 7.574 -8.476 1.686 1.00 0.00 C ATOM 518 C TYR A 35 6.685 -7.703 0.728 1.00 0.00 C ATOM 519 O TYR A 35 5.812 -6.948 1.176 1.00 0.00 O ATOM 520 CB TYR A 35 6.760 -9.625 2.293 1.00 0.00 C ATOM 521 CG TYR A 35 7.576 -10.634 3.070 1.00 0.00 C ATOM 522 CD1 TYR A 35 7.982 -10.346 4.385 1.00 0.00 C ATOM 523 CD2 TYR A 35 7.953 -11.848 2.466 1.00 0.00 C ATOM 524 CE1 TYR A 35 8.789 -11.259 5.081 1.00 0.00 C ATOM 525 CE2 TYR A 35 8.754 -12.774 3.153 1.00 0.00 C ATOM 526 CZ TYR A 35 9.191 -12.468 4.467 1.00 0.00 C ATOM 527 OH TYR A 35 10.010 -13.298 5.167 1.00 0.00 O ATOM 0 H TYR A 35 7.290 -7.200 3.297 1.00 0.00 H new ATOM 0 HA TYR A 35 8.437 -8.894 1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.001 -9.206 2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.234 -10.143 1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.674 -9.425 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.622 -12.070 1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.104 -11.037 6.090 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.034 -13.707 2.687 1.00 0.00 H new ATOM 0 HH TYR A 35 10.208 -14.093 4.629 1.00 0.00 H new ATOM 537 N TYR A 36 6.798 -7.982 -0.562 1.00 0.00 N ATOM 538 CA TYR A 36 5.923 -7.488 -1.608 1.00 0.00 C ATOM 539 C TYR A 36 5.008 -8.639 -2.047 1.00 0.00 C ATOM 540 O TYR A 36 5.335 -9.815 -1.880 1.00 0.00 O ATOM 541 CB TYR A 36 6.792 -6.905 -2.733 1.00 0.00 C ATOM 542 CG TYR A 36 6.071 -6.576 -4.027 1.00 0.00 C ATOM 543 CD1 TYR A 36 5.386 -5.353 -4.188 1.00 0.00 C ATOM 544 CD2 TYR A 36 6.119 -7.496 -5.089 1.00 0.00 C ATOM 545 CE1 TYR A 36 4.741 -5.059 -5.408 1.00 0.00 C ATOM 546 CE2 TYR A 36 5.470 -7.211 -6.300 1.00 0.00 C ATOM 547 CZ TYR A 36 4.777 -5.990 -6.472 1.00 0.00 C ATOM 548 OH TYR A 36 4.168 -5.704 -7.661 1.00 0.00 O ATOM 0 H TYR A 36 7.537 -8.587 -0.922 1.00 0.00 H new ATOM 0 HA TYR A 36 5.273 -6.681 -1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.268 -5.996 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.589 -7.615 -2.955 1.00 0.00 H new ATOM 0 HD1 TYR A 36 5.355 -4.641 -3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.657 -8.425 -4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 36 4.219 -4.121 -5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.500 -7.929 -7.106 1.00 0.00 H new ATOM 0 HH TYR A 36 4.292 -6.453 -8.280 1.00 0.00 H new ATOM 558 N ASP A 37 3.825 -8.336 -2.571 1.00 0.00 N ATOM 559 CA ASP A 37 2.931 -9.309 -3.198 1.00 0.00 C ATOM 560 C ASP A 37 2.748 -8.840 -4.642 1.00 0.00 C ATOM 561 O ASP A 37 2.618 -7.637 -4.876 1.00 0.00 O ATOM 562 CB ASP A 37 1.594 -9.314 -2.440 1.00 0.00 C ATOM 563 CG ASP A 37 0.548 -10.292 -2.979 1.00 0.00 C ATOM 564 OD1 ASP A 37 0.164 -10.205 -4.168 1.00 0.00 O ATOM 565 OD2 ASP A 37 0.091 -11.181 -2.229 1.00 0.00 O ATOM 0 H ASP A 37 3.451 -7.387 -2.573 1.00 0.00 H new ATOM 0 HA ASP A 37 3.327 -10.324 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.788 -9.553 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.176 -8.308 -2.465 1.00 0.00 H new ATOM 570 N PRO A 38 2.668 -9.749 -5.625 1.00 0.00 N ATOM 571 CA PRO A 38 2.616 -9.350 -7.023 1.00 0.00 C ATOM 572 C PRO A 38 1.271 -8.754 -7.423 1.00 0.00 C ATOM 573 O PRO A 38 1.219 -7.948 -8.350 1.00 0.00 O ATOM 574 CB PRO A 38 2.917 -10.620 -7.824 1.00 0.00 C ATOM 575 CG PRO A 38 2.451 -11.728 -6.879 1.00 0.00 C ATOM 576 CD PRO A 38 2.812 -11.189 -5.503 1.00 0.00 C ATOM 0 HA PRO A 38 3.339 -8.558 -7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.376 -10.640 -8.770 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.977 -10.708 -8.061 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.380 -11.911 -6.971 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.955 -12.672 -7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.151 -11.590 -4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.829 -11.464 -5.224 1.00 0.00 H new ATOM 584 N ASN A 39 0.194 -9.168 -6.757 1.00 0.00 N ATOM 585 CA ASN A 39 -1.173 -8.764 -7.014 1.00 0.00 C ATOM 586 C ASN A 39 -1.569 -7.610 -6.099 1.00 0.00 C ATOM 587 O ASN A 39 -2.457 -6.831 -6.439 1.00 0.00 O ATOM 588 CB ASN A 39 -2.073 -9.971 -6.750 1.00 0.00 C ATOM 589 CG ASN A 39 -2.026 -10.949 -7.912 1.00 0.00 C ATOM 590 OD1 ASN A 39 -2.540 -10.668 -8.986 1.00 0.00 O ATOM 591 ND2 ASN A 39 -1.365 -12.085 -7.767 1.00 0.00 N ATOM 0 H ASN A 39 0.264 -9.830 -5.984 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.276 -8.426 -8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.757 -10.472 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.099 -9.637 -6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.282 -12.731 -8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.938 -12.316 -6.870 1.00 0.00 H new ATOM 598 N SER A 40 -0.923 -7.491 -4.944 1.00 0.00 N ATOM 599 CA SER A 40 -1.197 -6.465 -3.946 1.00 0.00 C ATOM 600 C SER A 40 0.071 -5.656 -3.716 1.00 0.00 C ATOM 601 O SER A 40 0.927 -6.020 -2.922 1.00 0.00 O ATOM 602 CB SER A 40 -1.726 -7.098 -2.655 1.00 0.00 C ATOM 603 OG SER A 40 -2.689 -8.093 -2.957 1.00 0.00 O ATOM 0 H SER A 40 -0.172 -8.125 -4.669 1.00 0.00 H new ATOM 0 HA SER A 40 -1.976 -5.791 -4.302 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.902 -7.538 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.171 -6.331 -2.021 1.00 0.00 H new ATOM 0 HG SER A 40 -3.019 -8.492 -2.125 1.00 0.00 H new ATOM 609 N GLN A 41 0.203 -4.526 -4.396 1.00 0.00 N ATOM 610 CA GLN A 41 1.332 -3.608 -4.308 1.00 0.00 C ATOM 611 C GLN A 41 1.504 -2.948 -2.918 1.00 0.00 C ATOM 612 O GLN A 41 2.411 -2.132 -2.740 1.00 0.00 O ATOM 613 CB GLN A 41 1.200 -2.559 -5.422 1.00 0.00 C ATOM 614 CG GLN A 41 1.326 -3.152 -6.834 1.00 0.00 C ATOM 615 CD GLN A 41 0.111 -3.948 -7.318 1.00 0.00 C ATOM 616 OE1 GLN A 41 -1.015 -3.457 -7.341 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.304 -5.196 -7.707 1.00 0.00 N ATOM 0 H GLN A 41 -0.507 -4.208 -5.056 1.00 0.00 H new ATOM 0 HA GLN A 41 2.243 -4.191 -4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.235 -2.061 -5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.967 -1.796 -5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.511 -2.340 -7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.200 -3.802 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.241 -5.598 -7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.484 -5.758 -8.029 1.00 0.00 H new ATOM 626 N TYR A 42 0.654 -3.276 -1.941 1.00 0.00 N ATOM 627 CA TYR A 42 0.789 -2.924 -0.534 1.00 0.00 C ATOM 628 C TYR A 42 1.828 -3.841 0.110 1.00 0.00 C ATOM 629 O TYR A 42 1.609 -5.049 0.234 1.00 0.00 O ATOM 630 CB TYR A 42 -0.571 -3.032 0.170 1.00 0.00 C ATOM 631 CG TYR A 42 -1.668 -2.202 -0.466 1.00 0.00 C ATOM 632 CD1 TYR A 42 -1.449 -0.835 -0.704 1.00 0.00 C ATOM 633 CD2 TYR A 42 -2.883 -2.796 -0.860 1.00 0.00 C ATOM 634 CE1 TYR A 42 -2.421 -0.057 -1.344 1.00 0.00 C ATOM 635 CE2 TYR A 42 -3.872 -2.021 -1.492 1.00 0.00 C ATOM 636 CZ TYR A 42 -3.633 -0.652 -1.753 1.00 0.00 C ATOM 637 OH TYR A 42 -4.566 0.086 -2.402 1.00 0.00 O ATOM 0 H TYR A 42 -0.188 -3.822 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 42 1.127 -1.892 -0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.881 -4.077 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.455 -2.725 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.521 -0.380 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.055 -3.846 -0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.244 0.993 -1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.812 -2.470 -1.777 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.340 -0.477 -2.613 1.00 0.00 H new ATOM 647 N TYR A 43 2.991 -3.285 0.440 1.00 0.00 N ATOM 648 CA TYR A 43 4.110 -3.975 1.063 1.00 0.00 C ATOM 649 C TYR A 43 3.724 -4.392 2.484 1.00 0.00 C ATOM 650 O TYR A 43 2.903 -3.741 3.133 1.00 0.00 O ATOM 651 CB TYR A 43 5.324 -3.034 1.124 1.00 0.00 C ATOM 652 CG TYR A 43 6.067 -2.781 -0.176 1.00 0.00 C ATOM 653 CD1 TYR A 43 5.457 -2.087 -1.237 1.00 0.00 C ATOM 654 CD2 TYR A 43 7.404 -3.195 -0.307 1.00 0.00 C ATOM 655 CE1 TYR A 43 6.187 -1.782 -2.395 1.00 0.00 C ATOM 656 CE2 TYR A 43 8.147 -2.892 -1.456 1.00 0.00 C ATOM 657 CZ TYR A 43 7.545 -2.159 -2.495 1.00 0.00 C ATOM 658 OH TYR A 43 8.297 -1.761 -3.552 1.00 0.00 O ATOM 0 H TYR A 43 3.184 -2.298 0.272 1.00 0.00 H new ATOM 0 HA TYR A 43 4.362 -4.859 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.988 -2.073 1.515 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.032 -3.442 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.422 -1.788 -1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.867 -3.756 0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.711 -1.259 -3.211 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.173 -3.218 -1.543 1.00 0.00 H new ATOM 0 HH TYR A 43 9.116 -2.298 -3.592 1.00 0.00 H new ATOM 668 N TYR A 44 4.406 -5.399 3.022 1.00 0.00 N ATOM 669 CA TYR A 44 4.211 -5.928 4.359 1.00 0.00 C ATOM 670 C TYR A 44 5.507 -5.747 5.125 1.00 0.00 C ATOM 671 O TYR A 44 6.495 -6.443 4.895 1.00 0.00 O ATOM 672 CB TYR A 44 3.773 -7.398 4.278 1.00 0.00 C ATOM 673 CG TYR A 44 3.840 -8.169 5.586 1.00 0.00 C ATOM 674 CD1 TYR A 44 3.317 -7.619 6.771 1.00 0.00 C ATOM 675 CD2 TYR A 44 4.474 -9.426 5.627 1.00 0.00 C ATOM 676 CE1 TYR A 44 3.429 -8.325 7.979 1.00 0.00 C ATOM 677 CE2 TYR A 44 4.565 -10.147 6.829 1.00 0.00 C ATOM 678 CZ TYR A 44 4.025 -9.604 8.010 1.00 0.00 C ATOM 679 OH TYR A 44 4.128 -10.251 9.201 1.00 0.00 O ATOM 0 H TYR A 44 5.142 -5.887 2.511 1.00 0.00 H new ATOM 0 HA TYR A 44 3.419 -5.396 4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.749 -7.435 3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.398 -7.906 3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.830 -6.655 6.751 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.895 -9.841 4.723 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.056 -7.886 8.892 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.047 -11.113 6.847 1.00 0.00 H new ATOM 0 HH TYR A 44 4.559 -11.121 9.065 1.00 0.00 H new ATOM 689 N ASN A 45 5.516 -4.772 6.029 1.00 0.00 N ATOM 690 CA ASN A 45 6.564 -4.619 7.012 1.00 0.00 C ATOM 691 C ASN A 45 6.317 -5.612 8.141 1.00 0.00 C ATOM 692 O ASN A 45 5.589 -5.315 9.094 1.00 0.00 O ATOM 693 CB ASN A 45 6.612 -3.184 7.520 1.00 0.00 C ATOM 694 CG ASN A 45 7.636 -3.085 8.643 1.00 0.00 C ATOM 695 OD1 ASN A 45 8.779 -3.509 8.486 1.00 0.00 O ATOM 696 ND2 ASN A 45 7.240 -2.574 9.794 1.00 0.00 N ATOM 0 H ASN A 45 4.785 -4.063 6.094 1.00 0.00 H new ATOM 0 HA ASN A 45 7.536 -4.829 6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.878 -2.507 6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.629 -2.880 7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.888 -2.524 10.580 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.286 -2.229 9.897 1.00 0.00 H new ATOM 703 N ALA A 46 6.921 -6.794 8.015 1.00 0.00 N ATOM 704 CA ALA A 46 6.814 -7.872 8.988 1.00 0.00 C ATOM 705 C ALA A 46 7.248 -7.441 10.387 1.00 0.00 C ATOM 706 O ALA A 46 6.657 -7.880 11.373 1.00 0.00 O ATOM 707 CB ALA A 46 7.663 -9.053 8.513 1.00 0.00 C ATOM 0 H ALA A 46 7.509 -7.030 7.216 1.00 0.00 H new ATOM 0 HA ALA A 46 5.765 -8.160 9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.590 -9.867 9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.301 -9.395 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.703 -8.740 8.422 1.00 0.00 H new ATOM 713 N GLN A 47 8.254 -6.569 10.467 1.00 0.00 N ATOM 714 CA GLN A 47 8.865 -6.075 11.689 1.00 0.00 C ATOM 715 C GLN A 47 7.818 -5.674 12.716 1.00 0.00 C ATOM 716 O GLN A 47 7.790 -6.205 13.824 1.00 0.00 O ATOM 717 CB GLN A 47 9.783 -4.897 11.322 1.00 0.00 C ATOM 718 CG GLN A 47 11.157 -4.999 11.972 1.00 0.00 C ATOM 719 CD GLN A 47 12.133 -4.106 11.224 1.00 0.00 C ATOM 720 OE1 GLN A 47 12.490 -3.013 11.664 1.00 0.00 O ATOM 721 NE2 GLN A 47 12.566 -4.539 10.053 1.00 0.00 N ATOM 0 H GLN A 47 8.683 -6.170 9.632 1.00 0.00 H new ATOM 0 HA GLN A 47 9.453 -6.867 12.153 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.900 -4.856 10.239 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.310 -3.964 11.627 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.100 -4.699 13.018 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.505 -6.032 11.955 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.262 -5.447 9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.204 -3.966 9.501 1.00 0.00 H new ATOM 730 N SER A 48 6.924 -4.779 12.311 1.00 0.00 N ATOM 731 CA SER A 48 5.945 -4.164 13.188 1.00 0.00 C ATOM 732 C SER A 48 4.531 -4.657 12.877 1.00 0.00 C ATOM 733 O SER A 48 3.578 -4.247 13.534 1.00 0.00 O ATOM 734 CB SER A 48 6.056 -2.645 12.998 1.00 0.00 C ATOM 735 OG SER A 48 7.407 -2.216 12.868 1.00 0.00 O ATOM 0 H SER A 48 6.861 -4.457 11.345 1.00 0.00 H new ATOM 0 HA SER A 48 6.143 -4.435 14.225 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.496 -2.350 12.111 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.596 -2.140 13.848 1.00 0.00 H new ATOM 0 HG SER A 48 7.431 -1.244 12.747 1.00 0.00 H new ATOM 741 N GLN A 49 4.384 -5.515 11.865 1.00 0.00 N ATOM 742 CA GLN A 49 3.140 -5.848 11.194 1.00 0.00 C ATOM 743 C GLN A 49 2.422 -4.562 10.786 1.00 0.00 C ATOM 744 O GLN A 49 1.302 -4.277 11.215 1.00 0.00 O ATOM 745 CB GLN A 49 2.304 -6.834 12.024 1.00 0.00 C ATOM 746 CG GLN A 49 3.063 -8.143 12.271 1.00 0.00 C ATOM 747 CD GLN A 49 2.343 -9.027 13.280 1.00 0.00 C ATOM 748 OE1 GLN A 49 2.738 -9.067 14.443 1.00 0.00 O ATOM 749 NE2 GLN A 49 1.318 -9.761 12.887 1.00 0.00 N ATOM 0 H GLN A 49 5.179 -6.021 11.475 1.00 0.00 H new ATOM 0 HA GLN A 49 3.338 -6.388 10.268 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.043 -6.378 12.979 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.369 -7.046 11.506 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.176 -8.682 11.330 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.067 -7.920 12.633 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.001 -9.717 11.918 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.843 -10.371 13.552 1.00 0.00 H new ATOM 758 N GLN A 50 3.087 -3.768 9.945 1.00 0.00 N ATOM 759 CA GLN A 50 2.479 -2.650 9.237 1.00 0.00 C ATOM 760 C GLN A 50 2.327 -3.046 7.775 1.00 0.00 C ATOM 761 O GLN A 50 3.139 -3.810 7.249 1.00 0.00 O ATOM 762 CB GLN A 50 3.315 -1.367 9.389 1.00 0.00 C ATOM 763 CG GLN A 50 2.821 -0.426 10.501 1.00 0.00 C ATOM 764 CD GLN A 50 3.232 -0.862 11.905 1.00 0.00 C ATOM 765 OE1 GLN A 50 4.171 -0.329 12.490 1.00 0.00 O ATOM 766 NE2 GLN A 50 2.582 -1.863 12.470 1.00 0.00 N ATOM 0 H GLN A 50 4.078 -3.889 9.736 1.00 0.00 H new ATOM 0 HA GLN A 50 1.501 -2.429 9.664 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.350 -1.642 9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.309 -0.828 8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.207 0.576 10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.734 -0.363 10.454 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.802 -2.305 11.983 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.860 -2.195 13.394 1.00 0.00 H new ATOM 775 N TYR A 51 1.300 -2.513 7.121 1.00 0.00 N ATOM 776 CA TYR A 51 1.141 -2.585 5.680 1.00 0.00 C ATOM 777 C TYR A 51 1.494 -1.205 5.165 1.00 0.00 C ATOM 778 O TYR A 51 1.039 -0.199 5.712 1.00 0.00 O ATOM 779 CB TYR A 51 -0.280 -3.005 5.286 1.00 0.00 C ATOM 780 CG TYR A 51 -0.480 -4.510 5.236 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.014 -5.331 6.284 1.00 0.00 C ATOM 782 CD2 TYR A 51 -1.114 -5.099 4.124 1.00 0.00 C ATOM 783 CE1 TYR A 51 -0.152 -6.725 6.208 1.00 0.00 C ATOM 784 CE2 TYR A 51 -1.292 -6.493 4.064 1.00 0.00 C ATOM 785 CZ TYR A 51 -0.811 -7.313 5.108 1.00 0.00 C ATOM 786 OH TYR A 51 -1.021 -8.659 5.091 1.00 0.00 O ATOM 0 H TYR A 51 0.545 -2.012 7.589 1.00 0.00 H new ATOM 0 HA TYR A 51 1.788 -3.345 5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.986 -2.577 5.997 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.516 -2.583 4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.452 -4.884 7.150 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.465 -4.477 3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.247 -7.349 6.994 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.797 -6.937 3.219 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.488 -8.907 4.266 1.00 0.00 H new ATOM 796 N LEU A 52 2.348 -1.156 4.154 1.00 0.00 N ATOM 797 CA LEU A 52 2.953 0.051 3.618 1.00 0.00 C ATOM 798 C LEU A 52 2.703 0.081 2.120 1.00 0.00 C ATOM 799 O LEU A 52 2.164 -0.868 1.555 1.00 0.00 O ATOM 800 CB LEU A 52 4.466 0.095 3.915 1.00 0.00 C ATOM 801 CG LEU A 52 4.879 -0.130 5.380 1.00 0.00 C ATOM 802 CD1 LEU A 52 6.401 -0.060 5.469 1.00 0.00 C ATOM 803 CD2 LEU A 52 4.306 0.915 6.339 1.00 0.00 C ATOM 0 H LEU A 52 2.651 -1.997 3.663 1.00 0.00 H new ATOM 0 HA LEU A 52 2.507 0.925 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.957 -0.660 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.849 1.064 3.596 1.00 0.00 H new ATOM 0 HG LEU A 52 4.485 -1.102 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.713 -0.217 6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.838 -0.832 4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.740 0.920 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.636 0.697 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.656 1.906 6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.217 0.888 6.298 1.00 0.00 H new ATOM 815 N TYR A 53 3.142 1.132 1.444 1.00 0.00 N ATOM 816 CA TYR A 53 3.330 1.099 0.010 1.00 0.00 C ATOM 817 C TYR A 53 4.566 1.911 -0.342 1.00 0.00 C ATOM 818 O TYR A 53 5.006 2.775 0.426 1.00 0.00 O ATOM 819 CB TYR A 53 2.061 1.557 -0.718 1.00 0.00 C ATOM 820 CG TYR A 53 1.676 3.018 -0.583 1.00 0.00 C ATOM 821 CD1 TYR A 53 1.075 3.518 0.593 1.00 0.00 C ATOM 822 CD2 TYR A 53 1.862 3.868 -1.684 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.599 4.841 0.649 1.00 0.00 C ATOM 824 CE2 TYR A 53 1.412 5.192 -1.630 1.00 0.00 C ATOM 825 CZ TYR A 53 0.743 5.677 -0.484 1.00 0.00 C ATOM 826 OH TYR A 53 0.232 6.938 -0.495 1.00 0.00 O ATOM 0 H TYR A 53 3.376 2.026 1.876 1.00 0.00 H new ATOM 0 HA TYR A 53 3.503 0.078 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.181 1.335 -1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.228 0.953 -0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.980 2.879 1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.353 3.500 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.129 5.214 1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.577 5.849 -2.471 1.00 0.00 H new ATOM 0 HH TYR A 53 0.429 7.363 -1.356 1.00 0.00 H new ATOM 836 N TRP A 54 5.147 1.591 -1.495 1.00 0.00 N ATOM 837 CA TRP A 54 6.218 2.360 -2.093 1.00 0.00 C ATOM 838 C TRP A 54 5.570 3.515 -2.841 1.00 0.00 C ATOM 839 O TRP A 54 4.779 3.275 -3.758 1.00 0.00 O ATOM 840 CB TRP A 54 7.032 1.467 -3.040 1.00 0.00 C ATOM 841 CG TRP A 54 8.117 2.155 -3.801 1.00 0.00 C ATOM 842 CD1 TRP A 54 8.313 2.085 -5.135 1.00 0.00 C ATOM 843 CD2 TRP A 54 9.178 3.005 -3.287 1.00 0.00 C ATOM 844 NE1 TRP A 54 9.415 2.840 -5.477 1.00 0.00 N ATOM 845 CE2 TRP A 54 9.987 3.439 -4.376 1.00 0.00 C ATOM 846 CE3 TRP A 54 9.541 3.435 -1.997 1.00 0.00 C ATOM 847 CZ2 TRP A 54 11.102 4.271 -4.188 1.00 0.00 C ATOM 848 CZ3 TRP A 54 10.650 4.265 -1.800 1.00 0.00 C ATOM 849 CH2 TRP A 54 11.432 4.688 -2.888 1.00 0.00 C ATOM 0 H TRP A 54 4.877 0.775 -2.044 1.00 0.00 H new ATOM 0 HA TRP A 54 6.906 2.743 -1.340 1.00 0.00 H new ATOM 0 HB2 TRP A 54 7.477 0.660 -2.457 1.00 0.00 H new ATOM 0 HB3 TRP A 54 6.349 1.006 -3.753 1.00 0.00 H new ATOM 0 HD1 TRP A 54 7.702 1.525 -5.827 1.00 0.00 H new ATOM 0 HE1 TRP A 54 9.764 2.943 -6.430 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.955 3.120 -1.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.698 4.586 -5.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.908 4.584 -0.801 1.00 0.00 H new ATOM 0 HH2 TRP A 54 12.284 5.332 -2.725 1.00 0.00 H new ATOM 860 N ASP A 55 5.870 4.756 -2.466 1.00 0.00 N ATOM 861 CA ASP A 55 5.432 5.914 -3.234 1.00 0.00 C ATOM 862 C ASP A 55 6.651 6.520 -3.900 1.00 0.00 C ATOM 863 O ASP A 55 7.370 7.320 -3.302 1.00 0.00 O ATOM 864 CB ASP A 55 4.651 6.930 -2.400 1.00 0.00 C ATOM 865 CG ASP A 55 3.919 7.904 -3.325 1.00 0.00 C ATOM 866 OD1 ASP A 55 4.508 8.342 -4.346 1.00 0.00 O ATOM 867 OD2 ASP A 55 2.754 8.253 -3.032 1.00 0.00 O ATOM 0 H ASP A 55 6.415 4.984 -1.634 1.00 0.00 H new ATOM 0 HA ASP A 55 4.720 5.591 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.935 6.415 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.330 7.476 -1.745 1.00 0.00 H new ATOM 872 N GLY A 56 6.909 6.112 -5.141 1.00 0.00 N ATOM 873 CA GLY A 56 8.028 6.588 -5.926 1.00 0.00 C ATOM 874 C GLY A 56 7.974 8.088 -6.225 1.00 0.00 C ATOM 875 O GLY A 56 8.986 8.623 -6.670 1.00 0.00 O ATOM 0 H GLY A 56 6.331 5.429 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.954 6.365 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.060 6.039 -6.867 1.00 0.00 H new ATOM 879 N GLU A 57 6.860 8.803 -6.000 1.00 0.00 N ATOM 880 CA GLU A 57 6.863 10.260 -6.165 1.00 0.00 C ATOM 881 C GLU A 57 7.572 10.902 -4.977 1.00 0.00 C ATOM 882 O GLU A 57 8.224 11.937 -5.114 1.00 0.00 O ATOM 883 CB GLU A 57 5.454 10.858 -6.256 1.00 0.00 C ATOM 884 CG GLU A 57 4.585 10.278 -7.377 1.00 0.00 C ATOM 885 CD GLU A 57 3.590 11.335 -7.850 1.00 0.00 C ATOM 886 OE1 GLU A 57 2.507 11.494 -7.251 1.00 0.00 O ATOM 887 OE2 GLU A 57 3.927 12.072 -8.814 1.00 0.00 O ATOM 0 H GLU A 57 5.967 8.405 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 57 7.377 10.466 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.946 10.704 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.539 11.935 -6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.212 9.956 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.053 9.396 -7.020 1.00 0.00 H new ATOM 894 N ARG A 58 7.447 10.285 -3.800 1.00 0.00 N ATOM 895 CA ARG A 58 8.006 10.758 -2.540 1.00 0.00 C ATOM 896 C ARG A 58 9.241 9.955 -2.132 1.00 0.00 C ATOM 897 O ARG A 58 9.867 10.294 -1.130 1.00 0.00 O ATOM 898 CB ARG A 58 6.887 10.748 -1.485 1.00 0.00 C ATOM 899 CG ARG A 58 5.903 11.894 -1.772 1.00 0.00 C ATOM 900 CD ARG A 58 4.753 11.954 -0.760 1.00 0.00 C ATOM 901 NE ARG A 58 4.251 13.331 -0.644 1.00 0.00 N ATOM 902 CZ ARG A 58 3.248 13.896 -1.326 1.00 0.00 C ATOM 903 NH1 ARG A 58 2.473 13.193 -2.147 1.00 0.00 N ATOM 904 NH2 ARG A 58 3.002 15.193 -1.161 1.00 0.00 N ATOM 0 H ARG A 58 6.934 9.409 -3.699 1.00 0.00 H new ATOM 0 HA ARG A 58 8.368 11.781 -2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.364 9.792 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.312 10.860 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.442 12.841 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.493 11.773 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.947 11.291 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.096 11.601 0.213 1.00 0.00 H new ATOM 0 HE ARG A 58 4.723 13.926 0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.635 12.194 -2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.716 13.653 -2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.575 15.743 -0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.241 15.637 -1.674 1.00 0.00 H new ATOM 918 N ARG A 59 9.571 8.902 -2.891 1.00 0.00 N ATOM 919 CA ARG A 59 10.700 7.988 -2.740 1.00 0.00 C ATOM 920 C ARG A 59 10.871 7.578 -1.293 1.00 0.00 C ATOM 921 O ARG A 59 11.989 7.559 -0.785 1.00 0.00 O ATOM 922 CB ARG A 59 11.987 8.509 -3.385 1.00 0.00 C ATOM 923 CG ARG A 59 11.800 8.659 -4.903 1.00 0.00 C ATOM 924 CD ARG A 59 12.963 9.359 -5.597 1.00 0.00 C ATOM 925 NE ARG A 59 14.288 8.883 -5.152 1.00 0.00 N ATOM 926 CZ ARG A 59 15.312 9.685 -4.833 1.00 0.00 C ATOM 927 NH1 ARG A 59 15.149 10.992 -4.693 1.00 0.00 N ATOM 928 NH2 ARG A 59 16.523 9.197 -4.624 1.00 0.00 N ATOM 0 H ARG A 59 9.000 8.649 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 59 10.465 7.083 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.257 9.470 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.809 7.823 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.667 7.671 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.884 9.219 -5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.875 9.211 -6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.891 10.431 -5.416 1.00 0.00 H new ATOM 0 HE ARG A 59 14.433 7.876 -5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.228 11.408 -4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.945 11.582 -4.450 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.690 8.194 -4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.291 9.824 -4.382 1.00 0.00 H new ATOM 942 N THR A 60 9.790 7.260 -0.607 1.00 0.00 N ATOM 943 CA THR A 60 9.851 6.813 0.765 1.00 0.00 C ATOM 944 C THR A 60 8.735 5.783 0.938 1.00 0.00 C ATOM 945 O THR A 60 7.916 5.585 0.030 1.00 0.00 O ATOM 946 CB THR A 60 9.785 8.049 1.682 1.00 0.00 C ATOM 947 OG1 THR A 60 10.244 7.727 2.977 1.00 0.00 O ATOM 948 CG2 THR A 60 8.397 8.689 1.761 1.00 0.00 C ATOM 0 H THR A 60 8.845 7.305 -0.989 1.00 0.00 H new ATOM 0 HA THR A 60 10.780 6.314 1.040 1.00 0.00 H new ATOM 0 HB THR A 60 10.439 8.793 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.198 8.522 3.548 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.432 9.552 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.087 9.009 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.683 7.962 2.148 1.00 0.00 H new ATOM 956 N TYR A 61 8.702 5.114 2.088 1.00 0.00 N ATOM 957 CA TYR A 61 7.581 4.259 2.433 1.00 0.00 C ATOM 958 C TYR A 61 6.608 5.059 3.273 1.00 0.00 C ATOM 959 O TYR A 61 6.997 5.867 4.133 1.00 0.00 O ATOM 960 CB TYR A 61 8.042 2.971 3.120 1.00 0.00 C ATOM 961 CG TYR A 61 8.664 2.028 2.113 1.00 0.00 C ATOM 962 CD1 TYR A 61 10.039 2.117 1.835 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.847 1.167 1.351 1.00 0.00 C ATOM 964 CE1 TYR A 61 10.586 1.381 0.773 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.396 0.422 0.289 1.00 0.00 C ATOM 966 CZ TYR A 61 9.771 0.540 -0.022 1.00 0.00 C ATOM 967 OH TYR A 61 10.313 -0.104 -1.097 1.00 0.00 O ATOM 0 H TYR A 61 9.439 5.151 2.792 1.00 0.00 H new ATOM 0 HA TYR A 61 7.071 3.932 1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.765 3.207 3.901 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.194 2.487 3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.673 2.751 2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.796 1.079 1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.642 1.457 0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.767 -0.240 -0.288 1.00 0.00 H new ATOM 0 HH TYR A 61 9.798 -0.917 -1.285 1.00 0.00 H new ATOM 977 N VAL A 62 5.335 4.833 3.003 1.00 0.00 N ATOM 978 CA VAL A 62 4.199 5.350 3.741 1.00 0.00 C ATOM 979 C VAL A 62 3.335 4.152 4.138 1.00 0.00 C ATOM 980 O VAL A 62 3.377 3.132 3.446 1.00 0.00 O ATOM 981 CB VAL A 62 3.420 6.370 2.886 1.00 0.00 C ATOM 982 CG1 VAL A 62 3.883 7.791 3.204 1.00 0.00 C ATOM 983 CG2 VAL A 62 3.561 6.176 1.363 1.00 0.00 C ATOM 0 H VAL A 62 5.051 4.249 2.216 1.00 0.00 H new ATOM 0 HA VAL A 62 4.518 5.883 4.637 1.00 0.00 H new ATOM 0 HB VAL A 62 2.375 6.204 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.325 8.501 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.708 8.003 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.947 7.884 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.980 6.938 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.610 6.265 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.193 5.188 1.086 1.00 0.00 H new ATOM 993 N PRO A 63 2.544 4.242 5.214 1.00 0.00 N ATOM 994 CA PRO A 63 1.592 3.205 5.560 1.00 0.00 C ATOM 995 C PRO A 63 0.473 3.168 4.520 1.00 0.00 C ATOM 996 O PRO A 63 0.073 4.215 4.007 1.00 0.00 O ATOM 997 CB PRO A 63 1.107 3.537 6.969 1.00 0.00 C ATOM 998 CG PRO A 63 1.347 5.037 7.110 1.00 0.00 C ATOM 999 CD PRO A 63 2.515 5.332 6.174 1.00 0.00 C ATOM 0 HA PRO A 63 2.025 2.205 5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.053 3.290 7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.658 2.974 7.722 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.461 5.608 6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.587 5.305 8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.381 6.290 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.453 5.390 6.727 1.00 0.00 H new ATOM 1007 N ALA A 64 -0.046 1.973 4.231 1.00 0.00 N ATOM 1008 CA ALA A 64 -1.203 1.768 3.361 1.00 0.00 C ATOM 1009 C ALA A 64 -2.452 1.396 4.169 1.00 0.00 C ATOM 1010 O ALA A 64 -3.282 0.620 3.696 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.921 0.735 2.265 1.00 0.00 C ATOM 0 H ALA A 64 0.335 1.103 4.604 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.400 2.718 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.807 0.614 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.089 1.076 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.666 -0.221 2.723 1.00 0.00 H new