USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 400 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 92 THR OG1 : rot -161:sc= 0.775 USER MOD Set 1.2: A 98 THR OG1 : rot 89:sc= 1.67 USER MOD Set 2.1: A 66 THR OG1 : rot 171:sc= 0.00643 USER MOD Set 2.2: A 68 GLN : amide:sc= -2.48 K(o=-2.5,f=-1.1) USER MOD Single : A 63 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 165:sc= -0.0404 (180deg=-0.263) USER MOD Single : A 72 THR OG1 : rot 69:sc= 1.02 USER MOD Single : A 74 GLN : amide:sc= 0.192 K(o=0.19,f=-0.36) USER MOD Single : A 75 ASN : amide:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 79 ASN : amide:sc= 1.19 K(o=1.2,f=-0.065) USER MOD Single : A 81 HIS : no HD1:sc= -0.86 K(o=-0.86,f=-6.4!) USER MOD Single : A 84 GLN : amide:sc= 0.846 K(o=0.85,f=-6.7!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -153:sc= 0.0209 USER MOD Single : A 91 ASN : amide:sc= 1.66 K(o=1.7,f=0) USER MOD Single : A 94 SER OG : rot 180:sc=-0.000571 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 302 N HIS A 63 11.353 1.932 -3.136 1.00 41.12 N ATOM 303 CA HIS A 63 12.033 1.237 -2.063 1.00 34.04 C ATOM 304 C HIS A 63 11.688 -0.246 -2.192 1.00 5.13 C ATOM 305 O HIS A 63 10.657 -0.564 -2.795 1.00 65.22 O ATOM 306 CB HIS A 63 11.522 1.814 -0.739 1.00 24.52 C ATOM 307 CG HIS A 63 12.015 3.219 -0.516 1.00 65.00 C ATOM 308 ND1 HIS A 63 13.141 3.566 0.193 1.00 31.50 N ATOM 309 CD2 HIS A 63 11.492 4.360 -1.061 1.00 74.43 C ATOM 310 CE1 HIS A 63 13.320 4.888 0.063 1.00 25.53 C ATOM 311 NE2 HIS A 63 12.330 5.417 -0.683 1.00 24.24 N ATOM 0 HA HIS A 63 13.116 1.357 -2.104 1.00 34.04 H new ATOM 0 HB2 HIS A 63 10.432 1.806 -0.735 1.00 24.52 H new ATOM 0 HB3 HIS A 63 11.848 1.179 0.085 1.00 24.52 H new ATOM 0 HD2 HIS A 63 10.602 4.432 -1.668 1.00 74.43 H new ATOM 0 HE1 HIS A 63 14.138 5.447 0.493 1.00 25.53 H new ATOM 0 HE2 HIS A 63 12.213 6.401 -0.926 1.00 24.24 H new ATOM 319 N PRO A 64 12.508 -1.162 -1.655 1.00 14.34 N ATOM 320 CA PRO A 64 12.225 -2.581 -1.726 1.00 14.24 C ATOM 321 C PRO A 64 11.120 -2.916 -0.731 1.00 5.54 C ATOM 322 O PRO A 64 11.050 -2.345 0.366 1.00 24.32 O ATOM 323 CB PRO A 64 13.533 -3.271 -1.349 1.00 53.04 C ATOM 324 CG PRO A 64 14.192 -2.282 -0.389 1.00 10.11 C ATOM 325 CD PRO A 64 13.751 -0.925 -0.938 1.00 43.51 C ATOM 0 HA PRO A 64 11.885 -2.900 -2.711 1.00 14.24 H new ATOM 0 HB2 PRO A 64 13.356 -4.235 -0.873 1.00 53.04 H new ATOM 0 HB3 PRO A 64 14.156 -3.457 -2.224 1.00 53.04 H new ATOM 0 HG2 PRO A 64 13.856 -2.431 0.637 1.00 10.11 H new ATOM 0 HG3 PRO A 64 15.277 -2.383 -0.387 1.00 10.11 H new ATOM 0 HD2 PRO A 64 13.604 -0.208 -0.131 1.00 43.51 H new ATOM 0 HD3 PRO A 64 14.509 -0.508 -1.601 1.00 43.51 H new ATOM 333 N VAL A 65 10.241 -3.825 -1.126 1.00 32.32 N ATOM 334 CA VAL A 65 9.129 -4.296 -0.312 1.00 23.14 C ATOM 335 C VAL A 65 9.065 -5.812 -0.421 1.00 70.20 C ATOM 336 O VAL A 65 9.609 -6.411 -1.353 1.00 44.52 O ATOM 337 CB VAL A 65 7.808 -3.604 -0.710 1.00 2.35 C ATOM 338 CG1 VAL A 65 7.933 -2.081 -0.597 1.00 3.45 C ATOM 339 CG2 VAL A 65 7.304 -3.972 -2.112 1.00 42.20 C ATOM 0 H VAL A 65 10.282 -4.267 -2.044 1.00 32.32 H new ATOM 0 HA VAL A 65 9.287 -4.031 0.734 1.00 23.14 H new ATOM 0 HB VAL A 65 7.067 -3.976 -0.002 1.00 2.35 H new ATOM 0 HG11 VAL A 65 6.989 -1.616 -0.883 1.00 3.45 H new ATOM 0 HG12 VAL A 65 8.174 -1.811 0.431 1.00 3.45 H new ATOM 0 HG13 VAL A 65 8.725 -1.731 -1.259 1.00 3.45 H new ATOM 0 HG21 VAL A 65 6.372 -3.444 -2.314 1.00 42.20 H new ATOM 0 HG22 VAL A 65 8.050 -3.687 -2.853 1.00 42.20 H new ATOM 0 HG23 VAL A 65 7.131 -5.047 -2.166 1.00 42.20 H new ATOM 349 N THR A 66 8.391 -6.429 0.532 1.00 14.31 N ATOM 350 CA THR A 66 8.176 -7.857 0.625 1.00 31.42 C ATOM 351 C THR A 66 6.666 -8.058 0.709 1.00 23.43 C ATOM 352 O THR A 66 5.938 -7.151 1.130 1.00 3.52 O ATOM 353 CB THR A 66 8.904 -8.410 1.857 1.00 65.14 C ATOM 354 OG1 THR A 66 8.878 -7.475 2.924 1.00 2.00 O ATOM 355 CG2 THR A 66 10.349 -8.809 1.550 1.00 42.10 C ATOM 0 H THR A 66 7.957 -5.919 1.301 1.00 14.31 H new ATOM 0 HA THR A 66 8.574 -8.394 -0.236 1.00 31.42 H new ATOM 0 HB THR A 66 8.368 -9.311 2.156 1.00 65.14 H new ATOM 0 HG1 THR A 66 9.217 -7.900 3.740 1.00 2.00 H new ATOM 0 HG21 THR A 66 10.820 -9.194 2.454 1.00 42.10 H new ATOM 0 HG22 THR A 66 10.358 -9.580 0.780 1.00 42.10 H new ATOM 0 HG23 THR A 66 10.900 -7.937 1.197 1.00 42.10 H new ATOM 363 N THR A 67 6.161 -9.247 0.384 1.00 2.42 N ATOM 364 CA THR A 67 4.726 -9.486 0.434 1.00 61.34 C ATOM 365 C THR A 67 4.144 -9.272 1.833 1.00 13.00 C ATOM 366 O THR A 67 3.006 -8.824 1.933 1.00 4.32 O ATOM 367 CB THR A 67 4.403 -10.858 -0.150 1.00 1.35 C ATOM 368 OG1 THR A 67 5.028 -10.958 -1.416 1.00 40.52 O ATOM 369 CG2 THR A 67 2.892 -11.032 -0.310 1.00 12.32 C ATOM 0 H THR A 67 6.718 -10.048 0.087 1.00 2.42 H new ATOM 0 HA THR A 67 4.232 -8.740 -0.189 1.00 61.34 H new ATOM 0 HB THR A 67 4.767 -11.636 0.521 1.00 1.35 H new ATOM 0 HG1 THR A 67 4.834 -11.835 -1.808 1.00 40.52 H new ATOM 0 HG21 THR A 67 2.681 -12.016 -0.728 1.00 12.32 H new ATOM 0 HG22 THR A 67 2.410 -10.940 0.663 1.00 12.32 H new ATOM 0 HG23 THR A 67 2.506 -10.263 -0.980 1.00 12.32 H new ATOM 377 N GLN A 68 4.910 -9.503 2.908 1.00 12.10 N ATOM 378 CA GLN A 68 4.412 -9.301 4.271 1.00 24.22 C ATOM 379 C GLN A 68 3.939 -7.853 4.477 1.00 73.41 C ATOM 380 O GLN A 68 2.988 -7.602 5.216 1.00 41.42 O ATOM 381 CB GLN A 68 5.453 -9.710 5.324 1.00 74.25 C ATOM 382 CG GLN A 68 6.860 -9.120 5.102 1.00 1.44 C ATOM 383 CD GLN A 68 7.871 -10.131 4.541 1.00 32.21 C ATOM 384 OE1 GLN A 68 9.072 -10.021 4.761 1.00 12.34 O ATOM 385 NE2 GLN A 68 7.448 -11.125 3.769 1.00 73.33 N ATOM 0 H GLN A 68 5.875 -9.829 2.858 1.00 12.10 H new ATOM 0 HA GLN A 68 3.550 -9.954 4.406 1.00 24.22 H new ATOM 0 HB2 GLN A 68 5.096 -9.402 6.307 1.00 74.25 H new ATOM 0 HB3 GLN A 68 5.528 -10.797 5.338 1.00 74.25 H new ATOM 0 HG2 GLN A 68 6.786 -8.275 4.417 1.00 1.44 H new ATOM 0 HG3 GLN A 68 7.235 -8.731 6.049 1.00 1.44 H new ATOM 0 HE21 GLN A 68 6.452 -11.232 3.575 1.00 73.33 H new ATOM 0 HE22 GLN A 68 8.119 -11.782 3.370 1.00 73.33 H new ATOM 394 N MET A 69 4.584 -6.885 3.829 1.00 5.24 N ATOM 395 CA MET A 69 4.191 -5.498 3.944 1.00 70.11 C ATOM 396 C MET A 69 2.809 -5.324 3.293 1.00 35.35 C ATOM 397 O MET A 69 1.927 -4.654 3.836 1.00 54.54 O ATOM 398 CB MET A 69 5.259 -4.652 3.245 1.00 24.14 C ATOM 399 CG MET A 69 6.592 -4.600 3.984 1.00 44.25 C ATOM 400 SD MET A 69 7.919 -3.771 3.070 1.00 72.51 S ATOM 401 CE MET A 69 7.387 -2.040 3.192 1.00 43.32 C ATOM 0 H MET A 69 5.384 -7.046 3.218 1.00 5.24 H new ATOM 0 HA MET A 69 4.115 -5.180 4.984 1.00 70.11 H new ATOM 0 HB2 MET A 69 5.426 -5.050 2.244 1.00 24.14 H new ATOM 0 HB3 MET A 69 4.882 -3.636 3.125 1.00 24.14 H new ATOM 0 HG2 MET A 69 6.447 -4.088 4.935 1.00 44.25 H new ATOM 0 HG3 MET A 69 6.906 -5.618 4.215 1.00 44.25 H new ATOM 0 HE1 MET A 69 8.214 -1.385 2.919 1.00 43.32 H new ATOM 0 HE2 MET A 69 6.550 -1.868 2.515 1.00 43.32 H new ATOM 0 HE3 MET A 69 7.077 -1.826 4.215 1.00 43.32 H new ATOM 411 N VAL A 70 2.627 -5.945 2.123 1.00 74.41 N ATOM 412 CA VAL A 70 1.403 -5.907 1.334 1.00 10.10 C ATOM 413 C VAL A 70 0.212 -6.409 2.153 1.00 43.31 C ATOM 414 O VAL A 70 -0.775 -5.687 2.309 1.00 3.21 O ATOM 415 CB VAL A 70 1.579 -6.664 -0.001 1.00 40.43 C ATOM 416 CG1 VAL A 70 0.441 -6.306 -0.947 1.00 15.23 C ATOM 417 CG2 VAL A 70 2.898 -6.359 -0.726 1.00 51.41 C ATOM 0 H VAL A 70 3.359 -6.507 1.688 1.00 74.41 H new ATOM 0 HA VAL A 70 1.187 -4.871 1.073 1.00 10.10 H new ATOM 0 HB VAL A 70 1.582 -7.722 0.261 1.00 40.43 H new ATOM 0 HG11 VAL A 70 0.568 -6.841 -1.888 1.00 15.23 H new ATOM 0 HG12 VAL A 70 -0.510 -6.587 -0.495 1.00 15.23 H new ATOM 0 HG13 VAL A 70 0.449 -5.233 -1.136 1.00 15.23 H new ATOM 0 HG21 VAL A 70 2.944 -6.930 -1.654 1.00 51.41 H new ATOM 0 HG22 VAL A 70 2.951 -5.294 -0.952 1.00 51.41 H new ATOM 0 HG23 VAL A 70 3.737 -6.636 -0.088 1.00 51.41 H new ATOM 427 N GLU A 71 0.300 -7.631 2.685 1.00 55.53 N ATOM 428 CA GLU A 71 -0.780 -8.194 3.493 1.00 20.51 C ATOM 429 C GLU A 71 -1.039 -7.289 4.700 1.00 23.35 C ATOM 430 O GLU A 71 -2.203 -7.098 5.029 1.00 42.43 O ATOM 431 CB GLU A 71 -0.525 -9.650 3.934 1.00 44.21 C ATOM 432 CG GLU A 71 0.906 -9.810 4.412 1.00 10.25 C ATOM 433 CD GLU A 71 1.237 -11.033 5.255 1.00 53.45 C ATOM 434 OE1 GLU A 71 1.583 -12.090 4.681 1.00 3.00 O ATOM 435 OE2 GLU A 71 1.307 -10.895 6.500 1.00 42.35 O ATOM 0 H GLU A 71 1.106 -8.246 2.570 1.00 55.53 H new ATOM 0 HA GLU A 71 -1.668 -8.233 2.863 1.00 20.51 H new ATOM 0 HB2 GLU A 71 -1.215 -9.922 4.732 1.00 44.21 H new ATOM 0 HB3 GLU A 71 -0.716 -10.328 3.102 1.00 44.21 H new ATOM 0 HG2 GLU A 71 1.553 -9.822 3.535 1.00 10.25 H new ATOM 0 HG3 GLU A 71 1.168 -8.923 4.990 1.00 10.25 H new ATOM 442 N THR A 72 -0.012 -6.703 5.341 1.00 42.23 N ATOM 443 CA THR A 72 -0.257 -5.826 6.486 1.00 71.14 C ATOM 444 C THR A 72 -1.200 -4.687 6.093 1.00 10.30 C ATOM 445 O THR A 72 -2.268 -4.586 6.697 1.00 22.33 O ATOM 446 CB THR A 72 1.029 -5.287 7.119 1.00 53.24 C ATOM 447 OG1 THR A 72 1.916 -6.317 7.481 1.00 11.03 O ATOM 448 CG2 THR A 72 0.700 -4.548 8.421 1.00 62.11 C ATOM 0 H THR A 72 0.970 -6.820 5.090 1.00 42.23 H new ATOM 0 HA THR A 72 -0.736 -6.435 7.253 1.00 71.14 H new ATOM 0 HB THR A 72 1.486 -4.638 6.372 1.00 53.24 H new ATOM 0 HG1 THR A 72 2.269 -6.744 6.673 1.00 11.03 H new ATOM 0 HG21 THR A 72 1.620 -4.167 8.866 1.00 62.11 H new ATOM 0 HG22 THR A 72 0.029 -3.716 8.208 1.00 62.11 H new ATOM 0 HG23 THR A 72 0.217 -5.234 9.117 1.00 62.11 H new ATOM 456 N VAL A 73 -0.848 -3.852 5.099 1.00 74.54 N ATOM 457 CA VAL A 73 -1.748 -2.764 4.701 1.00 42.21 C ATOM 458 C VAL A 73 -3.128 -3.346 4.392 1.00 13.44 C ATOM 459 O VAL A 73 -4.103 -2.821 4.905 1.00 63.13 O ATOM 460 CB VAL A 73 -1.236 -1.967 3.491 1.00 44.54 C ATOM 461 CG1 VAL A 73 -2.081 -0.719 3.195 1.00 12.42 C ATOM 462 CG2 VAL A 73 0.203 -1.487 3.657 1.00 22.03 C ATOM 0 H VAL A 73 0.025 -3.908 4.574 1.00 74.54 H new ATOM 0 HA VAL A 73 -1.799 -2.063 5.535 1.00 42.21 H new ATOM 0 HB VAL A 73 -1.306 -2.679 2.668 1.00 44.54 H new ATOM 0 HG11 VAL A 73 -1.670 -0.198 2.330 1.00 12.42 H new ATOM 0 HG12 VAL A 73 -3.108 -1.017 2.985 1.00 12.42 H new ATOM 0 HG13 VAL A 73 -2.065 -0.055 4.060 1.00 12.42 H new ATOM 0 HG21 VAL A 73 0.506 -0.931 2.770 1.00 22.03 H new ATOM 0 HG22 VAL A 73 0.272 -0.840 4.532 1.00 22.03 H new ATOM 0 HG23 VAL A 73 0.860 -2.346 3.788 1.00 22.03 H new ATOM 472 N GLN A 74 -3.218 -4.446 3.639 1.00 30.24 N ATOM 473 CA GLN A 74 -4.503 -5.064 3.298 1.00 63.24 C ATOM 474 C GLN A 74 -5.352 -5.374 4.528 1.00 41.25 C ATOM 475 O GLN A 74 -6.522 -4.993 4.545 1.00 13.20 O ATOM 476 CB GLN A 74 -4.316 -6.294 2.405 1.00 30.12 C ATOM 477 CG GLN A 74 -5.623 -6.919 1.882 1.00 61.01 C ATOM 478 CD GLN A 74 -6.328 -6.172 0.738 1.00 20.13 C ATOM 479 OE1 GLN A 74 -6.452 -6.698 -0.367 1.00 70.32 O ATOM 480 NE2 GLN A 74 -6.828 -4.959 0.942 1.00 25.41 N ATOM 0 H GLN A 74 -2.409 -4.930 3.251 1.00 30.24 H new ATOM 0 HA GLN A 74 -5.062 -4.326 2.723 1.00 63.24 H new ATOM 0 HB2 GLN A 74 -3.697 -6.015 1.552 1.00 30.12 H new ATOM 0 HB3 GLN A 74 -3.766 -7.051 2.964 1.00 30.12 H new ATOM 0 HG2 GLN A 74 -5.406 -7.933 1.545 1.00 61.01 H new ATOM 0 HG3 GLN A 74 -6.320 -7.002 2.716 1.00 61.01 H new ATOM 0 HE21 GLN A 74 -6.731 -4.514 1.855 1.00 25.41 H new ATOM 0 HE22 GLN A 74 -7.310 -4.472 0.186 1.00 25.41 H new ATOM 489 N ASN A 75 -4.783 -6.038 5.532 1.00 12.42 N ATOM 490 CA ASN A 75 -5.481 -6.401 6.761 1.00 63.31 C ATOM 491 C ASN A 75 -6.015 -5.162 7.472 1.00 23.34 C ATOM 492 O ASN A 75 -7.125 -5.176 8.004 1.00 25.51 O ATOM 493 CB ASN A 75 -4.543 -7.139 7.729 1.00 54.14 C ATOM 494 CG ASN A 75 -4.156 -8.543 7.289 1.00 65.32 C ATOM 495 OD1 ASN A 75 -5.010 -9.378 7.000 1.00 10.42 O ATOM 496 ND2 ASN A 75 -2.873 -8.849 7.243 1.00 31.23 N ATOM 0 H ASN A 75 -3.810 -6.343 5.513 1.00 12.42 H new ATOM 0 HA ASN A 75 -6.308 -7.052 6.477 1.00 63.31 H new ATOM 0 HB2 ASN A 75 -3.635 -6.549 7.855 1.00 54.14 H new ATOM 0 HB3 ASN A 75 -5.023 -7.198 8.706 1.00 54.14 H new ATOM 0 HD21 ASN A 75 -2.582 -9.786 6.965 1.00 31.23 H new ATOM 0 HD22 ASN A 75 -2.173 -8.148 7.485 1.00 31.23 H new ATOM 503 N LEU A 76 -5.226 -4.085 7.505 1.00 63.41 N ATOM 504 CA LEU A 76 -5.620 -2.853 8.178 1.00 24.42 C ATOM 505 C LEU A 76 -6.494 -1.953 7.298 1.00 12.11 C ATOM 506 O LEU A 76 -7.260 -1.149 7.839 1.00 1.50 O ATOM 507 CB LEU A 76 -4.378 -2.082 8.660 1.00 22.22 C ATOM 508 CG LEU A 76 -3.360 -2.923 9.470 1.00 55.23 C ATOM 509 CD1 LEU A 76 -2.249 -2.043 10.041 1.00 34.12 C ATOM 510 CD2 LEU A 76 -3.978 -3.735 10.614 1.00 52.12 C ATOM 0 H LEU A 76 -4.305 -4.046 7.069 1.00 63.41 H new ATOM 0 HA LEU A 76 -6.223 -3.143 9.038 1.00 24.42 H new ATOM 0 HB2 LEU A 76 -3.870 -1.661 7.792 1.00 22.22 H new ATOM 0 HB3 LEU A 76 -4.705 -1.244 9.275 1.00 22.22 H new ATOM 0 HG LEU A 76 -2.958 -3.634 8.749 1.00 55.23 H new ATOM 0 HD11 LEU A 76 -1.549 -2.660 10.605 1.00 34.12 H new ATOM 0 HD12 LEU A 76 -1.721 -1.548 9.226 1.00 34.12 H new ATOM 0 HD13 LEU A 76 -2.683 -1.292 10.701 1.00 34.12 H new ATOM 0 HD21 LEU A 76 -3.196 -4.293 11.128 1.00 52.12 H new ATOM 0 HD22 LEU A 76 -4.464 -3.060 11.318 1.00 52.12 H new ATOM 0 HD23 LEU A 76 -4.714 -4.430 10.210 1.00 52.12 H new ATOM 522 N ALA A 77 -6.438 -2.092 5.973 1.00 61.42 N ATOM 523 CA ALA A 77 -7.170 -1.323 4.978 1.00 34.01 C ATOM 524 C ALA A 77 -7.834 -2.274 3.969 1.00 71.11 C ATOM 525 O ALA A 77 -7.431 -2.330 2.800 1.00 54.43 O ATOM 526 CB ALA A 77 -6.206 -0.329 4.322 1.00 3.41 C ATOM 0 H ALA A 77 -5.837 -2.795 5.542 1.00 61.42 H new ATOM 0 HA ALA A 77 -7.975 -0.750 5.439 1.00 34.01 H new ATOM 0 HB1 ALA A 77 -6.740 0.256 3.573 1.00 3.41 H new ATOM 0 HB2 ALA A 77 -5.800 0.339 5.081 1.00 3.41 H new ATOM 0 HB3 ALA A 77 -5.391 -0.873 3.844 1.00 3.41 H new ATOM 532 N PRO A 78 -8.897 -2.985 4.378 1.00 22.51 N ATOM 533 CA PRO A 78 -9.624 -3.930 3.531 1.00 3.22 C ATOM 534 C PRO A 78 -10.430 -3.265 2.402 1.00 32.11 C ATOM 535 O PRO A 78 -11.007 -3.965 1.574 1.00 52.11 O ATOM 536 CB PRO A 78 -10.526 -4.716 4.492 1.00 11.44 C ATOM 537 CG PRO A 78 -10.771 -3.729 5.632 1.00 61.40 C ATOM 538 CD PRO A 78 -9.437 -2.997 5.727 1.00 24.43 C ATOM 0 HA PRO A 78 -8.926 -4.573 2.995 1.00 3.22 H new ATOM 0 HB2 PRO A 78 -11.458 -5.017 4.013 1.00 11.44 H new ATOM 0 HB3 PRO A 78 -10.041 -5.626 4.845 1.00 11.44 H new ATOM 0 HG2 PRO A 78 -11.593 -3.048 5.410 1.00 61.40 H new ATOM 0 HG3 PRO A 78 -11.022 -4.238 6.563 1.00 61.40 H new ATOM 0 HD2 PRO A 78 -9.573 -1.983 6.103 1.00 24.43 H new ATOM 0 HD3 PRO A 78 -8.760 -3.504 6.415 1.00 24.43 H new ATOM 546 N ASN A 79 -10.516 -1.933 2.351 1.00 71.12 N ATOM 547 CA ASN A 79 -11.248 -1.202 1.310 1.00 44.42 C ATOM 548 C ASN A 79 -10.327 -0.867 0.117 1.00 61.41 C ATOM 549 O ASN A 79 -10.719 -0.130 -0.783 1.00 63.44 O ATOM 550 CB ASN A 79 -11.883 0.057 1.927 1.00 11.24 C ATOM 551 CG ASN A 79 -13.191 0.480 1.254 1.00 11.14 C ATOM 552 OD1 ASN A 79 -14.239 0.580 1.891 1.00 71.05 O ATOM 553 ND2 ASN A 79 -13.182 0.745 -0.034 1.00 14.33 N ATOM 0 H ASN A 79 -10.074 -1.323 3.039 1.00 71.12 H new ATOM 0 HA ASN A 79 -12.047 -1.830 0.915 1.00 44.42 H new ATOM 0 HB2 ASN A 79 -12.071 -0.123 2.985 1.00 11.24 H new ATOM 0 HB3 ASN A 79 -11.171 0.880 1.866 1.00 11.24 H new ATOM 0 HD21 ASN A 79 -14.042 1.032 -0.502 1.00 14.33 H new ATOM 0 HD22 ASN A 79 -12.315 0.663 -0.565 1.00 14.33 H new ATOM 560 N LEU A 80 -9.079 -1.338 0.116 1.00 33.42 N ATOM 561 CA LEU A 80 -8.098 -1.097 -0.940 1.00 22.43 C ATOM 562 C LEU A 80 -7.830 -2.382 -1.722 1.00 31.53 C ATOM 563 O LEU A 80 -8.084 -3.481 -1.226 1.00 13.25 O ATOM 564 CB LEU A 80 -6.793 -0.621 -0.301 1.00 13.21 C ATOM 565 CG LEU A 80 -6.742 0.826 0.215 1.00 35.20 C ATOM 566 CD1 LEU A 80 -5.339 1.087 0.780 1.00 11.54 C ATOM 567 CD2 LEU A 80 -7.062 1.854 -0.881 1.00 51.55 C ATOM 0 H LEU A 80 -8.713 -1.915 0.873 1.00 33.42 H new ATOM 0 HA LEU A 80 -8.487 -0.342 -1.623 1.00 22.43 H new ATOM 0 HB2 LEU A 80 -6.566 -1.284 0.534 1.00 13.21 H new ATOM 0 HB3 LEU A 80 -5.995 -0.745 -1.033 1.00 13.21 H new ATOM 0 HG LEU A 80 -7.504 0.942 0.986 1.00 35.20 H new ATOM 0 HD11 LEU A 80 -5.281 2.110 1.152 1.00 11.54 H new ATOM 0 HD12 LEU A 80 -5.140 0.392 1.596 1.00 11.54 H new ATOM 0 HD13 LEU A 80 -4.598 0.945 -0.006 1.00 11.54 H new ATOM 0 HD21 LEU A 80 -7.012 2.859 -0.463 1.00 51.55 H new ATOM 0 HD22 LEU A 80 -6.337 1.761 -1.690 1.00 51.55 H new ATOM 0 HD23 LEU A 80 -8.064 1.672 -1.269 1.00 51.55 H new ATOM 579 N HIS A 81 -7.277 -2.249 -2.930 1.00 63.34 N ATOM 580 CA HIS A 81 -6.957 -3.354 -3.817 1.00 20.31 C ATOM 581 C HIS A 81 -5.619 -3.948 -3.389 1.00 13.11 C ATOM 582 O HIS A 81 -4.723 -3.185 -3.020 1.00 22.22 O ATOM 583 CB HIS A 81 -6.827 -2.818 -5.242 1.00 23.50 C ATOM 584 CG HIS A 81 -6.874 -3.860 -6.309 1.00 22.13 C ATOM 585 ND1 HIS A 81 -5.758 -4.478 -6.861 1.00 4.25 N ATOM 586 CD2 HIS A 81 -8.004 -4.302 -6.928 1.00 13.33 C ATOM 587 CE1 HIS A 81 -6.237 -5.253 -7.845 1.00 24.41 C ATOM 588 NE2 HIS A 81 -7.577 -5.171 -7.904 1.00 14.00 N ATOM 0 H HIS A 81 -7.035 -1.340 -3.323 1.00 63.34 H new ATOM 0 HA HIS A 81 -7.738 -4.114 -3.773 1.00 20.31 H new ATOM 0 HB2 HIS A 81 -7.628 -2.100 -5.420 1.00 23.50 H new ATOM 0 HB3 HIS A 81 -5.886 -2.274 -5.326 1.00 23.50 H new ATOM 0 HD2 HIS A 81 -9.023 -4.027 -6.700 1.00 13.33 H new ATOM 0 HE1 HIS A 81 -5.629 -5.860 -8.500 1.00 24.41 H new ATOM 0 HE2 HIS A 81 -8.176 -5.669 -8.562 1.00 14.00 H new ATOM 596 N PRO A 82 -5.422 -5.267 -3.498 1.00 32.55 N ATOM 597 CA PRO A 82 -4.186 -5.919 -3.097 1.00 21.52 C ATOM 598 C PRO A 82 -3.002 -5.609 -4.017 1.00 70.43 C ATOM 599 O PRO A 82 -1.857 -5.690 -3.572 1.00 74.11 O ATOM 600 CB PRO A 82 -4.511 -7.415 -3.070 1.00 43.44 C ATOM 601 CG PRO A 82 -5.661 -7.560 -4.060 1.00 72.13 C ATOM 602 CD PRO A 82 -6.405 -6.235 -3.932 1.00 63.33 C ATOM 0 HA PRO A 82 -3.859 -5.550 -2.125 1.00 21.52 H new ATOM 0 HB2 PRO A 82 -3.651 -8.016 -3.366 1.00 43.44 H new ATOM 0 HB3 PRO A 82 -4.800 -7.743 -2.071 1.00 43.44 H new ATOM 0 HG2 PRO A 82 -5.299 -7.722 -5.075 1.00 72.13 H new ATOM 0 HG3 PRO A 82 -6.301 -8.406 -3.811 1.00 72.13 H new ATOM 0 HD2 PRO A 82 -6.847 -5.942 -4.884 1.00 63.33 H new ATOM 0 HD3 PRO A 82 -7.220 -6.313 -3.213 1.00 63.33 H new ATOM 610 N GLU A 83 -3.248 -5.263 -5.283 1.00 75.45 N ATOM 611 CA GLU A 83 -2.198 -4.955 -6.248 1.00 14.32 C ATOM 612 C GLU A 83 -1.684 -3.525 -6.038 1.00 22.05 C ATOM 613 O GLU A 83 -0.478 -3.292 -6.126 1.00 45.24 O ATOM 614 CB GLU A 83 -2.759 -5.142 -7.667 1.00 42.20 C ATOM 615 CG GLU A 83 -1.749 -5.662 -8.694 1.00 42.25 C ATOM 616 CD GLU A 83 -1.562 -7.188 -8.703 1.00 33.11 C ATOM 617 OE1 GLU A 83 -1.748 -7.867 -7.665 1.00 73.41 O ATOM 618 OE2 GLU A 83 -1.185 -7.744 -9.763 1.00 24.43 O ATOM 0 H GLU A 83 -4.190 -5.189 -5.667 1.00 75.45 H new ATOM 0 HA GLU A 83 -1.354 -5.630 -6.108 1.00 14.32 H new ATOM 0 HB2 GLU A 83 -3.599 -5.835 -7.622 1.00 42.20 H new ATOM 0 HB3 GLU A 83 -3.152 -4.187 -8.016 1.00 42.20 H new ATOM 0 HG2 GLU A 83 -2.066 -5.344 -9.687 1.00 42.25 H new ATOM 0 HG3 GLU A 83 -0.784 -5.193 -8.502 1.00 42.25 H new ATOM 625 N GLN A 84 -2.580 -2.571 -5.736 1.00 70.42 N ATOM 626 CA GLN A 84 -2.210 -1.173 -5.503 1.00 60.12 C ATOM 627 C GLN A 84 -1.185 -1.068 -4.372 1.00 22.25 C ATOM 628 O GLN A 84 -0.191 -0.356 -4.490 1.00 55.12 O ATOM 629 CB GLN A 84 -3.425 -0.361 -5.029 1.00 75.13 C ATOM 630 CG GLN A 84 -4.517 0.027 -6.023 1.00 31.25 C ATOM 631 CD GLN A 84 -5.670 0.710 -5.274 1.00 12.23 C ATOM 632 OE1 GLN A 84 -6.423 0.089 -4.527 1.00 34.51 O ATOM 633 NE2 GLN A 84 -5.801 2.018 -5.359 1.00 45.04 N ATOM 0 H GLN A 84 -3.580 -2.751 -5.647 1.00 70.42 H new ATOM 0 HA GLN A 84 -1.814 -0.794 -6.445 1.00 60.12 H new ATOM 0 HB2 GLN A 84 -3.901 -0.927 -4.228 1.00 75.13 H new ATOM 0 HB3 GLN A 84 -3.047 0.561 -4.586 1.00 75.13 H new ATOM 0 HG2 GLN A 84 -4.113 0.698 -6.780 1.00 31.25 H new ATOM 0 HG3 GLN A 84 -4.881 -0.859 -6.544 1.00 31.25 H new ATOM 0 HE21 GLN A 84 -5.187 2.553 -5.973 1.00 45.04 H new ATOM 0 HE22 GLN A 84 -6.517 2.496 -4.811 1.00 45.04 H new ATOM 642 N ILE A 85 -1.419 -1.808 -3.283 1.00 50.25 N ATOM 643 CA ILE A 85 -0.597 -1.813 -2.086 1.00 22.31 C ATOM 644 C ILE A 85 0.874 -1.942 -2.397 1.00 63.52 C ATOM 645 O ILE A 85 1.644 -1.095 -1.961 1.00 35.05 O ATOM 646 CB ILE A 85 -1.076 -2.871 -1.086 1.00 65.41 C ATOM 647 CG1 ILE A 85 -2.526 -2.679 -0.638 1.00 24.05 C ATOM 648 CG2 ILE A 85 -0.182 -2.859 0.156 1.00 70.23 C ATOM 649 CD1 ILE A 85 -3.080 -3.958 -0.007 1.00 61.10 C ATOM 0 H ILE A 85 -2.217 -2.440 -3.217 1.00 50.25 H new ATOM 0 HA ILE A 85 -0.718 -0.840 -1.610 1.00 22.31 H new ATOM 0 HB ILE A 85 -1.017 -3.825 -1.610 1.00 65.41 H new ATOM 0 HG12 ILE A 85 -2.583 -1.861 0.080 1.00 24.05 H new ATOM 0 HG13 ILE A 85 -3.140 -2.396 -1.493 1.00 24.05 H new ATOM 0 HG21 ILE A 85 -0.529 -3.614 0.862 1.00 70.23 H new ATOM 0 HG22 ILE A 85 0.846 -3.078 -0.133 1.00 70.23 H new ATOM 0 HG23 ILE A 85 -0.225 -1.876 0.626 1.00 70.23 H new ATOM 0 HD11 ILE A 85 -4.112 -3.794 0.302 1.00 61.10 H new ATOM 0 HD12 ILE A 85 -3.044 -4.768 -0.735 1.00 61.10 H new ATOM 0 HD13 ILE A 85 -2.479 -4.225 0.862 1.00 61.10 H new ATOM 661 N ARG A 86 1.275 -2.971 -3.142 1.00 41.41 N ATOM 662 CA ARG A 86 2.682 -3.147 -3.476 1.00 73.40 C ATOM 663 C ARG A 86 3.303 -1.843 -4.001 1.00 63.41 C ATOM 664 O ARG A 86 4.394 -1.456 -3.583 1.00 13.24 O ATOM 665 CB ARG A 86 2.842 -4.360 -4.412 1.00 51.15 C ATOM 666 CG ARG A 86 4.215 -4.412 -5.098 1.00 4.22 C ATOM 667 CD ARG A 86 4.172 -3.698 -6.458 1.00 40.34 C ATOM 668 NE ARG A 86 5.411 -2.960 -6.767 1.00 63.30 N ATOM 669 CZ ARG A 86 6.255 -3.286 -7.761 1.00 43.34 C ATOM 670 NH1 ARG A 86 6.165 -4.471 -8.352 1.00 5.12 N ATOM 671 NH2 ARG A 86 7.161 -2.414 -8.193 1.00 55.22 N ATOM 0 H ARG A 86 0.653 -3.685 -3.520 1.00 41.41 H new ATOM 0 HA ARG A 86 3.254 -3.374 -2.576 1.00 73.40 H new ATOM 0 HB2 ARG A 86 2.693 -5.276 -3.840 1.00 51.15 H new ATOM 0 HB3 ARG A 86 2.063 -4.330 -5.173 1.00 51.15 H new ATOM 0 HG2 ARG A 86 4.964 -3.943 -4.459 1.00 4.22 H new ATOM 0 HG3 ARG A 86 4.519 -5.450 -5.236 1.00 4.22 H new ATOM 0 HD2 ARG A 86 3.990 -4.434 -7.242 1.00 40.34 H new ATOM 0 HD3 ARG A 86 3.331 -3.005 -6.470 1.00 40.34 H new ATOM 0 HE ARG A 86 5.642 -2.151 -6.190 1.00 63.30 H new ATOM 0 HH11 ARG A 86 5.454 -5.138 -8.052 1.00 5.12 H new ATOM 0 HH12 ARG A 86 6.807 -4.715 -9.106 1.00 5.12 H new ATOM 0 HH21 ARG A 86 7.220 -1.488 -7.769 1.00 55.22 H new ATOM 0 HH22 ARG A 86 7.797 -2.671 -8.948 1.00 55.22 H new ATOM 685 N TYR A 87 2.623 -1.157 -4.917 1.00 55.23 N ATOM 686 CA TYR A 87 3.122 0.090 -5.474 1.00 70.34 C ATOM 687 C TYR A 87 3.199 1.177 -4.412 1.00 52.25 C ATOM 688 O TYR A 87 4.180 1.920 -4.355 1.00 30.23 O ATOM 689 CB TYR A 87 2.202 0.542 -6.605 1.00 0.53 C ATOM 690 CG TYR A 87 2.736 1.702 -7.419 1.00 12.32 C ATOM 691 CD1 TYR A 87 4.017 1.650 -8.006 1.00 11.43 C ATOM 692 CD2 TYR A 87 1.928 2.837 -7.601 1.00 74.04 C ATOM 693 CE1 TYR A 87 4.472 2.719 -8.796 1.00 52.51 C ATOM 694 CE2 TYR A 87 2.371 3.905 -8.396 1.00 5.14 C ATOM 695 CZ TYR A 87 3.637 3.838 -9.012 1.00 21.11 C ATOM 696 OH TYR A 87 4.050 4.840 -9.825 1.00 25.10 O ATOM 0 H TYR A 87 1.719 -1.449 -5.289 1.00 55.23 H new ATOM 0 HA TYR A 87 4.128 -0.082 -5.856 1.00 70.34 H new ATOM 0 HB2 TYR A 87 2.023 -0.302 -7.271 1.00 0.53 H new ATOM 0 HB3 TYR A 87 1.238 0.824 -6.182 1.00 0.53 H new ATOM 0 HD1 TYR A 87 4.649 0.788 -7.848 1.00 11.43 H new ATOM 0 HD2 TYR A 87 0.959 2.888 -7.126 1.00 74.04 H new ATOM 0 HE1 TYR A 87 5.457 2.685 -9.237 1.00 52.51 H new ATOM 0 HE2 TYR A 87 1.745 4.774 -8.535 1.00 5.14 H new ATOM 0 HH TYR A 87 3.358 5.533 -9.867 1.00 25.10 H new ATOM 706 N SER A 88 2.176 1.275 -3.570 1.00 22.31 N ATOM 707 CA SER A 88 2.115 2.272 -2.513 1.00 73.50 C ATOM 708 C SER A 88 3.295 2.091 -1.567 1.00 33.11 C ATOM 709 O SER A 88 4.001 3.044 -1.253 1.00 14.40 O ATOM 710 CB SER A 88 0.789 2.158 -1.761 1.00 41.13 C ATOM 711 OG SER A 88 -0.327 2.145 -2.638 1.00 43.45 O ATOM 0 H SER A 88 1.362 0.661 -3.604 1.00 22.31 H new ATOM 0 HA SER A 88 2.173 3.269 -2.951 1.00 73.50 H new ATOM 0 HB2 SER A 88 0.790 1.246 -1.164 1.00 41.13 H new ATOM 0 HB3 SER A 88 0.694 2.994 -1.068 1.00 41.13 H new ATOM 0 HG SER A 88 -1.115 2.493 -2.170 1.00 43.45 H new ATOM 717 N LEU A 89 3.551 0.854 -1.152 1.00 41.04 N ATOM 718 CA LEU A 89 4.639 0.512 -0.258 1.00 20.11 C ATOM 719 C LEU A 89 5.979 0.843 -0.892 1.00 55.04 C ATOM 720 O LEU A 89 6.885 1.263 -0.185 1.00 14.31 O ATOM 721 CB LEU A 89 4.620 -0.984 0.025 1.00 43.42 C ATOM 722 CG LEU A 89 3.397 -1.463 0.796 1.00 11.33 C ATOM 723 CD1 LEU A 89 3.402 -2.981 0.719 1.00 63.12 C ATOM 724 CD2 LEU A 89 3.409 -1.000 2.241 1.00 15.44 C ATOM 0 H LEU A 89 2.993 0.049 -1.437 1.00 41.04 H new ATOM 0 HA LEU A 89 4.510 1.084 0.661 1.00 20.11 H new ATOM 0 HB2 LEU A 89 4.671 -1.521 -0.922 1.00 43.42 H new ATOM 0 HB3 LEU A 89 5.515 -1.246 0.589 1.00 43.42 H new ATOM 0 HG LEU A 89 2.493 -1.042 0.357 1.00 11.33 H new ATOM 0 HD11 LEU A 89 2.541 -3.376 1.259 1.00 63.12 H new ATOM 0 HD12 LEU A 89 3.350 -3.293 -0.324 1.00 63.12 H new ATOM 0 HD13 LEU A 89 4.318 -3.365 1.167 1.00 63.12 H new ATOM 0 HD21 LEU A 89 2.517 -1.367 2.748 1.00 15.44 H new ATOM 0 HD22 LEU A 89 4.296 -1.389 2.740 1.00 15.44 H new ATOM 0 HD23 LEU A 89 3.423 0.089 2.274 1.00 15.44 H new ATOM 736 N GLU A 90 6.133 0.641 -2.202 1.00 42.13 N ATOM 737 CA GLU A 90 7.404 0.943 -2.850 1.00 41.32 C ATOM 738 C GLU A 90 7.632 2.458 -2.898 1.00 74.22 C ATOM 739 O GLU A 90 8.764 2.917 -2.785 1.00 3.45 O ATOM 740 CB GLU A 90 7.459 0.349 -4.267 1.00 1.24 C ATOM 741 CG GLU A 90 7.767 -1.167 -4.283 1.00 3.24 C ATOM 742 CD GLU A 90 8.704 -1.611 -5.414 1.00 30.12 C ATOM 743 OE1 GLU A 90 8.733 -0.941 -6.473 1.00 54.31 O ATOM 744 OE2 GLU A 90 9.457 -2.600 -5.271 1.00 13.42 O ATOM 0 H GLU A 90 5.409 0.277 -2.821 1.00 42.13 H new ATOM 0 HA GLU A 90 8.199 0.486 -2.261 1.00 41.32 H new ATOM 0 HB2 GLU A 90 6.505 0.524 -4.764 1.00 1.24 H new ATOM 0 HB3 GLU A 90 8.220 0.874 -4.844 1.00 1.24 H new ATOM 0 HG2 GLU A 90 8.213 -1.445 -3.328 1.00 3.24 H new ATOM 0 HG3 GLU A 90 6.829 -1.715 -4.368 1.00 3.24 H new ATOM 751 N ASN A 91 6.566 3.241 -3.056 1.00 54.33 N ATOM 752 CA ASN A 91 6.638 4.698 -3.132 1.00 22.44 C ATOM 753 C ASN A 91 6.888 5.339 -1.777 1.00 11.21 C ATOM 754 O ASN A 91 7.728 6.231 -1.673 1.00 20.51 O ATOM 755 CB ASN A 91 5.375 5.286 -3.776 1.00 31.00 C ATOM 756 CG ASN A 91 5.468 5.208 -5.291 1.00 15.21 C ATOM 757 OD1 ASN A 91 5.913 6.147 -5.943 1.00 2.43 O ATOM 758 ND2 ASN A 91 5.094 4.094 -5.888 1.00 61.33 N ATOM 0 H ASN A 91 5.617 2.876 -3.136 1.00 54.33 H new ATOM 0 HA ASN A 91 7.494 4.931 -3.766 1.00 22.44 H new ATOM 0 HB2 ASN A 91 4.496 4.742 -3.431 1.00 31.00 H new ATOM 0 HB3 ASN A 91 5.250 6.323 -3.466 1.00 31.00 H new ATOM 0 HD21 ASN A 91 5.173 4.007 -6.901 1.00 61.33 H new ATOM 0 HD22 ASN A 91 4.725 3.319 -5.337 1.00 61.33 H new ATOM 765 N THR A 92 6.150 4.919 -0.753 1.00 52.05 N ATOM 766 CA THR A 92 6.253 5.443 0.605 1.00 32.34 C ATOM 767 C THR A 92 7.475 4.870 1.338 1.00 65.44 C ATOM 768 O THR A 92 8.202 5.588 2.026 1.00 0.21 O ATOM 769 CB THR A 92 4.964 5.041 1.343 1.00 70.32 C ATOM 770 OG1 THR A 92 4.842 3.633 1.363 1.00 53.25 O ATOM 771 CG2 THR A 92 3.674 5.562 0.694 1.00 53.31 C ATOM 0 H THR A 92 5.446 4.187 -0.847 1.00 52.05 H new ATOM 0 HA THR A 92 6.376 6.526 0.576 1.00 32.34 H new ATOM 0 HB THR A 92 5.063 5.483 2.335 1.00 70.32 H new ATOM 0 HG1 THR A 92 3.913 3.388 1.554 1.00 53.25 H new ATOM 0 HG21 THR A 92 2.814 5.233 1.278 1.00 53.31 H new ATOM 0 HG22 THR A 92 3.696 6.651 0.663 1.00 53.31 H new ATOM 0 HG23 THR A 92 3.594 5.172 -0.321 1.00 53.31 H new ATOM 779 N GLY A 93 7.724 3.572 1.152 1.00 32.33 N ATOM 780 CA GLY A 93 8.793 2.785 1.742 1.00 2.21 C ATOM 781 C GLY A 93 8.339 2.014 2.983 1.00 61.40 C ATOM 782 O GLY A 93 9.037 1.074 3.366 1.00 24.43 O ATOM 0 H GLY A 93 7.136 3.008 0.538 1.00 32.33 H new ATOM 0 HA2 GLY A 93 9.173 2.082 1.001 1.00 2.21 H new ATOM 0 HA3 GLY A 93 9.619 3.444 2.010 1.00 2.21 H new ATOM 786 N SER A 94 7.173 2.318 3.576 1.00 2.34 N ATOM 787 CA SER A 94 6.686 1.657 4.778 1.00 45.52 C ATOM 788 C SER A 94 5.170 1.479 4.778 1.00 1.32 C ATOM 789 O SER A 94 4.400 2.257 4.206 1.00 44.33 O ATOM 790 CB SER A 94 7.134 2.477 5.995 1.00 14.31 C ATOM 791 OG SER A 94 8.542 2.624 6.005 1.00 42.52 O ATOM 0 H SER A 94 6.542 3.038 3.224 1.00 2.34 H new ATOM 0 HA SER A 94 7.108 0.653 4.816 1.00 45.52 H new ATOM 0 HB2 SER A 94 6.660 3.459 5.973 1.00 14.31 H new ATOM 0 HB3 SER A 94 6.808 1.986 6.912 1.00 14.31 H new ATOM 0 HG SER A 94 8.810 3.151 6.787 1.00 42.52 H new ATOM 797 N VAL A 95 4.760 0.411 5.450 1.00 34.44 N ATOM 798 CA VAL A 95 3.381 -0.002 5.650 1.00 74.02 C ATOM 799 C VAL A 95 2.709 1.072 6.483 1.00 43.14 C ATOM 800 O VAL A 95 1.660 1.567 6.091 1.00 71.13 O ATOM 801 CB VAL A 95 3.348 -1.346 6.403 1.00 22.13 C ATOM 802 CG1 VAL A 95 1.964 -1.746 6.921 1.00 41.04 C ATOM 803 CG2 VAL A 95 3.883 -2.489 5.546 1.00 40.55 C ATOM 0 H VAL A 95 5.421 -0.226 5.895 1.00 34.44 H new ATOM 0 HA VAL A 95 2.868 -0.129 4.697 1.00 74.02 H new ATOM 0 HB VAL A 95 3.993 -1.178 7.266 1.00 22.13 H new ATOM 0 HG11 VAL A 95 2.032 -2.703 7.438 1.00 41.04 H new ATOM 0 HG12 VAL A 95 1.600 -0.985 7.612 1.00 41.04 H new ATOM 0 HG13 VAL A 95 1.273 -1.834 6.082 1.00 41.04 H new ATOM 0 HG21 VAL A 95 3.843 -3.419 6.113 1.00 40.55 H new ATOM 0 HG22 VAL A 95 3.274 -2.586 4.647 1.00 40.55 H new ATOM 0 HG23 VAL A 95 4.915 -2.280 5.264 1.00 40.55 H new ATOM 813 N GLU A 96 3.336 1.433 7.602 1.00 15.41 N ATOM 814 CA GLU A 96 2.855 2.425 8.547 1.00 44.40 C ATOM 815 C GLU A 96 2.469 3.709 7.807 1.00 63.23 C ATOM 816 O GLU A 96 1.358 4.201 7.968 1.00 43.44 O ATOM 817 CB GLU A 96 3.905 2.557 9.666 1.00 51.31 C ATOM 818 CG GLU A 96 5.138 3.409 9.331 1.00 73.33 C ATOM 819 CD GLU A 96 6.217 3.400 10.422 1.00 63.02 C ATOM 820 OE1 GLU A 96 6.175 2.592 11.379 1.00 62.42 O ATOM 821 OE2 GLU A 96 7.173 4.192 10.278 1.00 62.03 O ATOM 0 H GLU A 96 4.227 1.023 7.881 1.00 15.41 H new ATOM 0 HA GLU A 96 1.929 2.132 9.043 1.00 44.40 H new ATOM 0 HB2 GLU A 96 3.420 2.983 10.544 1.00 51.31 H new ATOM 0 HB3 GLU A 96 4.242 1.558 9.942 1.00 51.31 H new ATOM 0 HG2 GLU A 96 5.574 3.048 8.400 1.00 73.33 H new ATOM 0 HG3 GLU A 96 4.820 4.437 9.157 1.00 73.33 H new ATOM 828 N GLU A 97 3.329 4.182 6.901 1.00 43.24 N ATOM 829 CA GLU A 97 3.086 5.383 6.118 1.00 41.03 C ATOM 830 C GLU A 97 1.887 5.168 5.191 1.00 75.25 C ATOM 831 O GLU A 97 1.002 6.015 5.108 1.00 74.10 O ATOM 832 CB GLU A 97 4.357 5.733 5.325 1.00 2.22 C ATOM 833 CG GLU A 97 4.302 7.161 4.759 1.00 71.44 C ATOM 834 CD GLU A 97 4.246 8.236 5.855 1.00 61.44 C ATOM 835 OE1 GLU A 97 4.836 8.039 6.948 1.00 21.14 O ATOM 836 OE2 GLU A 97 3.616 9.291 5.628 1.00 54.32 O ATOM 0 H GLU A 97 4.221 3.733 6.693 1.00 43.24 H new ATOM 0 HA GLU A 97 2.849 6.218 6.777 1.00 41.03 H new ATOM 0 HB2 GLU A 97 5.228 5.632 5.972 1.00 2.22 H new ATOM 0 HB3 GLU A 97 4.483 5.023 4.508 1.00 2.22 H new ATOM 0 HG2 GLU A 97 5.178 7.332 4.133 1.00 71.44 H new ATOM 0 HG3 GLU A 97 3.427 7.258 4.116 1.00 71.44 H new ATOM 843 N THR A 98 1.848 4.031 4.494 1.00 73.11 N ATOM 844 CA THR A 98 0.784 3.655 3.572 1.00 65.55 C ATOM 845 C THR A 98 -0.586 3.597 4.275 1.00 11.22 C ATOM 846 O THR A 98 -1.607 3.983 3.701 1.00 75.45 O ATOM 847 CB THR A 98 1.171 2.328 2.901 1.00 35.51 C ATOM 848 OG1 THR A 98 2.395 2.481 2.213 1.00 73.43 O ATOM 849 CG2 THR A 98 0.173 1.891 1.836 1.00 15.21 C ATOM 0 H THR A 98 2.582 3.326 4.561 1.00 73.11 H new ATOM 0 HA THR A 98 0.674 4.416 2.800 1.00 65.55 H new ATOM 0 HB THR A 98 1.214 1.593 3.705 1.00 35.51 H new ATOM 0 HG1 THR A 98 3.139 2.289 2.822 1.00 73.43 H new ATOM 0 HG21 THR A 98 0.499 0.948 1.397 1.00 15.21 H new ATOM 0 HG22 THR A 98 -0.809 1.760 2.290 1.00 15.21 H new ATOM 0 HG23 THR A 98 0.115 2.652 1.058 1.00 15.21 H new ATOM 857 N VAL A 99 -0.616 3.137 5.518 1.00 53.34 N ATOM 858 CA VAL A 99 -1.834 3.028 6.308 1.00 74.05 C ATOM 859 C VAL A 99 -2.229 4.413 6.838 1.00 53.44 C ATOM 860 O VAL A 99 -3.416 4.738 6.851 1.00 52.14 O ATOM 861 CB VAL A 99 -1.653 1.970 7.417 1.00 3.13 C ATOM 862 CG1 VAL A 99 -2.887 1.862 8.323 1.00 3.05 C ATOM 863 CG2 VAL A 99 -1.436 0.575 6.806 1.00 24.14 C ATOM 0 H VAL A 99 0.219 2.824 6.014 1.00 53.34 H new ATOM 0 HA VAL A 99 -2.661 2.681 5.689 1.00 74.05 H new ATOM 0 HB VAL A 99 -0.789 2.293 7.998 1.00 3.13 H new ATOM 0 HG11 VAL A 99 -2.712 1.105 9.088 1.00 3.05 H new ATOM 0 HG12 VAL A 99 -3.073 2.824 8.801 1.00 3.05 H new ATOM 0 HG13 VAL A 99 -3.754 1.580 7.725 1.00 3.05 H new ATOM 0 HG21 VAL A 99 -1.311 -0.156 7.604 1.00 24.14 H new ATOM 0 HG22 VAL A 99 -2.300 0.305 6.199 1.00 24.14 H new ATOM 0 HG23 VAL A 99 -0.543 0.586 6.181 1.00 24.14 H new ATOM 873 N GLU A 100 -1.258 5.252 7.208 1.00 70.33 N ATOM 874 CA GLU A 100 -1.466 6.597 7.743 1.00 30.31 C ATOM 875 C GLU A 100 -2.072 7.512 6.689 1.00 5.31 C ATOM 876 O GLU A 100 -2.881 8.392 6.976 1.00 52.31 O ATOM 877 CB GLU A 100 -0.133 7.147 8.269 1.00 72.10 C ATOM 878 CG GLU A 100 0.062 6.734 9.736 1.00 51.32 C ATOM 879 CD GLU A 100 -0.835 7.551 10.667 1.00 64.54 C ATOM 880 OE1 GLU A 100 -0.826 8.802 10.555 1.00 61.35 O ATOM 881 OE2 GLU A 100 -1.546 6.942 11.506 1.00 32.22 O ATOM 0 H GLU A 100 -0.271 5.003 7.140 1.00 70.33 H new ATOM 0 HA GLU A 100 -2.174 6.551 8.571 1.00 30.31 H new ATOM 0 HB2 GLU A 100 0.691 6.769 7.663 1.00 72.10 H new ATOM 0 HB3 GLU A 100 -0.119 8.234 8.183 1.00 72.10 H new ATOM 0 HG2 GLU A 100 -0.162 5.673 9.850 1.00 51.32 H new ATOM 0 HG3 GLU A 100 1.105 6.872 10.019 1.00 51.32 H new ATOM 888 N ARG A 101 -1.685 7.325 5.436 1.00 63.10 N ATOM 889 CA ARG A 101 -2.230 8.109 4.339 1.00 1.15 C ATOM 890 C ARG A 101 -3.575 7.512 3.935 1.00 35.13 C ATOM 891 O ARG A 101 -4.511 8.241 3.627 1.00 74.22 O ATOM 892 CB ARG A 101 -1.202 8.204 3.227 1.00 2.10 C ATOM 893 CG ARG A 101 -0.790 6.853 2.646 1.00 50.22 C ATOM 894 CD ARG A 101 0.565 6.906 1.955 1.00 74.32 C ATOM 895 NE ARG A 101 0.727 8.160 1.224 1.00 3.21 N ATOM 896 CZ ARG A 101 0.226 8.576 0.054 1.00 23.15 C ATOM 897 NH1 ARG A 101 -0.609 7.818 -0.645 1.00 15.23 N ATOM 898 NH2 ARG A 101 0.557 9.776 -0.389 1.00 24.21 N ATOM 0 H ARG A 101 -0.991 6.633 5.153 1.00 63.10 H new ATOM 0 HA ARG A 101 -2.433 9.140 4.628 1.00 1.15 H new ATOM 0 HB2 ARG A 101 -1.604 8.825 2.426 1.00 2.10 H new ATOM 0 HB3 ARG A 101 -0.315 8.710 3.608 1.00 2.10 H new ATOM 0 HG2 ARG A 101 -0.759 6.112 3.445 1.00 50.22 H new ATOM 0 HG3 ARG A 101 -1.545 6.522 1.933 1.00 50.22 H new ATOM 0 HD2 ARG A 101 1.359 6.806 2.695 1.00 74.32 H new ATOM 0 HD3 ARG A 101 0.661 6.065 1.268 1.00 74.32 H new ATOM 0 HE ARG A 101 1.329 8.840 1.687 1.00 3.21 H new ATOM 0 HH11 ARG A 101 -0.880 6.900 -0.293 1.00 15.23 H new ATOM 0 HH12 ARG A 101 -0.980 8.153 -1.534 1.00 15.23 H new ATOM 0 HH21 ARG A 101 1.183 10.367 0.158 1.00 24.21 H new ATOM 0 HH22 ARG A 101 0.186 10.112 -1.278 1.00 24.21 H new ATOM 912 N TYR A 102 -3.709 6.189 3.987 1.00 50.01 N ATOM 913 CA TYR A 102 -4.967 5.526 3.658 1.00 31.44 C ATOM 914 C TYR A 102 -6.096 6.063 4.535 1.00 50.44 C ATOM 915 O TYR A 102 -7.086 6.559 3.995 1.00 14.43 O ATOM 916 CB TYR A 102 -4.839 4.012 3.812 1.00 43.32 C ATOM 917 CG TYR A 102 -6.148 3.328 4.086 1.00 23.12 C ATOM 918 CD1 TYR A 102 -7.129 3.290 3.083 1.00 74.33 C ATOM 919 CD2 TYR A 102 -6.418 2.858 5.380 1.00 53.54 C ATOM 920 CE1 TYR A 102 -8.401 2.782 3.377 1.00 24.22 C ATOM 921 CE2 TYR A 102 -7.678 2.311 5.672 1.00 21.32 C ATOM 922 CZ TYR A 102 -8.686 2.302 4.674 1.00 72.11 C ATOM 923 OH TYR A 102 -9.946 1.872 4.949 1.00 4.22 O ATOM 0 H TYR A 102 -2.958 5.553 4.255 1.00 50.01 H new ATOM 0 HA TYR A 102 -5.206 5.741 2.616 1.00 31.44 H new ATOM 0 HB2 TYR A 102 -4.404 3.597 2.903 1.00 43.32 H new ATOM 0 HB3 TYR A 102 -4.146 3.794 4.625 1.00 43.32 H new ATOM 0 HD1 TYR A 102 -6.904 3.650 2.090 1.00 74.33 H new ATOM 0 HD2 TYR A 102 -5.661 2.917 6.148 1.00 53.54 H new ATOM 0 HE1 TYR A 102 -9.163 2.758 2.612 1.00 24.22 H new ATOM 0 HE2 TYR A 102 -7.878 1.900 6.650 1.00 21.32 H new ATOM 0 HH TYR A 102 -9.993 1.570 5.880 1.00 4.22 H new ATOM 933 N LEU A 103 -5.937 6.010 5.861 1.00 61.42 N ATOM 934 CA LEU A 103 -6.937 6.493 6.816 1.00 64.12 C ATOM 935 C LEU A 103 -7.256 7.981 6.659 1.00 22.24 C ATOM 936 O LEU A 103 -8.302 8.440 7.124 1.00 0.53 O ATOM 937 CB LEU A 103 -6.533 6.151 8.256 1.00 74.11 C ATOM 938 CG LEU A 103 -5.197 6.748 8.747 1.00 11.43 C ATOM 939 CD1 LEU A 103 -5.295 8.185 9.280 1.00 21.35 C ATOM 940 CD2 LEU A 103 -4.641 5.846 9.850 1.00 24.33 C ATOM 0 H LEU A 103 -5.102 5.627 6.305 1.00 61.42 H new ATOM 0 HA LEU A 103 -7.863 5.966 6.585 1.00 64.12 H new ATOM 0 HB2 LEU A 103 -7.326 6.489 8.924 1.00 74.11 H new ATOM 0 HB3 LEU A 103 -6.479 5.066 8.349 1.00 74.11 H new ATOM 0 HG LEU A 103 -4.541 6.795 7.878 1.00 11.43 H new ATOM 0 HD11 LEU A 103 -4.310 8.522 9.602 1.00 21.35 H new ATOM 0 HD12 LEU A 103 -5.663 8.841 8.491 1.00 21.35 H new ATOM 0 HD13 LEU A 103 -5.983 8.213 10.125 1.00 21.35 H new ATOM 0 HD21 LEU A 103 -3.696 6.252 10.210 1.00 24.33 H new ATOM 0 HD22 LEU A 103 -5.353 5.798 10.674 1.00 24.33 H new ATOM 0 HD23 LEU A 103 -4.478 4.844 9.453 1.00 24.33 H new ATOM 952 N ARG A 104 -6.366 8.743 6.019 1.00 61.15 N ATOM 953 CA ARG A 104 -6.560 10.168 5.786 1.00 53.33 C ATOM 954 C ARG A 104 -7.316 10.397 4.474 1.00 25.21 C ATOM 955 O ARG A 104 -7.795 11.508 4.234 1.00 31.05 O ATOM 956 CB ARG A 104 -5.217 10.904 5.925 1.00 31.52 C ATOM 957 CG ARG A 104 -4.482 11.211 4.618 1.00 22.01 C ATOM 958 CD ARG A 104 -4.736 12.633 4.151 1.00 1.22 C ATOM 959 NE ARG A 104 -3.553 13.489 4.268 1.00 55.53 N ATOM 960 CZ ARG A 104 -3.569 14.801 4.011 1.00 35.43 C ATOM 961 NH1 ARG A 104 -4.705 15.411 3.693 1.00 13.44 N ATOM 962 NH2 ARG A 104 -2.456 15.514 4.072 1.00 54.14 N ATOM 0 H ARG A 104 -5.487 8.383 5.648 1.00 61.15 H new ATOM 0 HA ARG A 104 -7.204 10.608 6.548 1.00 53.33 H new ATOM 0 HB2 ARG A 104 -5.393 11.843 6.449 1.00 31.52 H new ATOM 0 HB3 ARG A 104 -4.560 10.305 6.556 1.00 31.52 H new ATOM 0 HG2 ARG A 104 -3.412 11.060 4.758 1.00 22.01 H new ATOM 0 HG3 ARG A 104 -4.804 10.512 3.846 1.00 22.01 H new ATOM 0 HD2 ARG A 104 -5.065 12.616 3.112 1.00 1.22 H new ATOM 0 HD3 ARG A 104 -5.549 13.063 4.736 1.00 1.22 H new ATOM 0 HE ARG A 104 -2.673 13.063 4.560 1.00 55.53 H new ATOM 0 HH11 ARG A 104 -5.573 14.878 3.643 1.00 13.44 H new ATOM 0 HH12 ARG A 104 -4.709 16.412 3.498 1.00 13.44 H new ATOM 0 HH21 ARG A 104 -1.574 15.063 4.317 1.00 54.14 H new ATOM 0 HH22 ARG A 104 -2.480 16.514 3.874 1.00 54.14 H new ATOM 976 N GLY A 105 -7.443 9.367 3.626 1.00 64.40 N ATOM 977 CA GLY A 105 -8.157 9.462 2.363 1.00 30.30 C ATOM 978 C GLY A 105 -7.275 9.875 1.200 1.00 23.01 C ATOM 979 O GLY A 105 -7.798 10.381 0.206 1.00 25.13 O ATOM 0 H GLY A 105 -7.048 8.444 3.806 1.00 64.40 H new ATOM 0 HA2 GLY A 105 -8.613 8.498 2.139 1.00 30.30 H new ATOM 0 HA3 GLY A 105 -8.969 10.182 2.467 1.00 30.30 H new ATOM 983 N ASP A 106 -5.960 9.690 1.321 1.00 24.14 N ATOM 984 CA ASP A 106 -4.976 10.039 0.293 1.00 13.33 C ATOM 985 C ASP A 106 -5.187 9.209 -0.984 1.00 74.53 C ATOM 986 O ASP A 106 -6.022 8.300 -0.994 1.00 10.43 O ATOM 987 CB ASP A 106 -3.575 9.809 0.870 1.00 34.43 C ATOM 988 CG ASP A 106 -2.535 10.787 0.338 1.00 71.13 C ATOM 989 OD1 ASP A 106 -2.555 11.160 -0.860 1.00 32.51 O ATOM 990 OD2 ASP A 106 -1.707 11.228 1.165 1.00 1.33 O ATOM 0 H ASP A 106 -5.538 9.284 2.156 1.00 24.14 H new ATOM 0 HA ASP A 106 -5.095 11.086 0.014 1.00 13.33 H new ATOM 0 HB2 ASP A 106 -3.619 9.892 1.956 1.00 34.43 H new ATOM 0 HB3 ASP A 106 -3.258 8.792 0.640 1.00 34.43 H new ATOM 995 N GLU A 107 -4.448 9.483 -2.057 1.00 65.15 N ATOM 996 CA GLU A 107 -4.530 8.769 -3.324 1.00 73.24 C ATOM 997 C GLU A 107 -3.703 7.492 -3.305 1.00 44.32 C ATOM 998 O GLU A 107 -2.599 7.432 -2.745 1.00 3.24 O ATOM 999 CB GLU A 107 -4.136 9.713 -4.466 1.00 75.35 C ATOM 1000 CG GLU A 107 -5.403 10.309 -5.098 1.00 30.41 C ATOM 1001 CD GLU A 107 -6.219 9.246 -5.852 1.00 30.41 C ATOM 1002 OE1 GLU A 107 -5.626 8.423 -6.586 1.00 63.53 O ATOM 1003 OE2 GLU A 107 -7.443 9.099 -5.603 1.00 24.12 O ATOM 0 H GLU A 107 -3.755 10.231 -2.066 1.00 65.15 H new ATOM 0 HA GLU A 107 -5.559 8.449 -3.489 1.00 73.24 H new ATOM 0 HB2 GLU A 107 -3.495 10.510 -4.089 1.00 75.35 H new ATOM 0 HB3 GLU A 107 -3.562 9.172 -5.218 1.00 75.35 H new ATOM 0 HG2 GLU A 107 -6.021 10.757 -4.320 1.00 30.41 H new ATOM 0 HG3 GLU A 107 -5.125 11.109 -5.785 1.00 30.41 H new ATOM 1010 N PHE A 108 -4.274 6.467 -3.941 1.00 70.33 N ATOM 1011 CA PHE A 108 -3.734 5.134 -4.070 1.00 25.22 C ATOM 1012 C PHE A 108 -3.759 4.746 -5.537 1.00 53.10 C ATOM 1013 O PHE A 108 -4.819 4.508 -6.122 1.00 41.32 O ATOM 1014 CB PHE A 108 -4.532 4.153 -3.198 1.00 42.24 C ATOM 1015 CG PHE A 108 -4.221 4.304 -1.727 1.00 64.14 C ATOM 1016 CD1 PHE A 108 -4.656 5.435 -1.019 1.00 25.34 C ATOM 1017 CD2 PHE A 108 -3.409 3.357 -1.090 1.00 53.54 C ATOM 1018 CE1 PHE A 108 -4.172 5.696 0.269 1.00 0.01 C ATOM 1019 CE2 PHE A 108 -3.029 3.550 0.246 1.00 4.04 C ATOM 1020 CZ PHE A 108 -3.359 4.743 0.894 1.00 41.14 C ATOM 0 H PHE A 108 -5.178 6.563 -4.403 1.00 70.33 H new ATOM 0 HA PHE A 108 -2.703 5.101 -3.719 1.00 25.22 H new ATOM 0 HB2 PHE A 108 -5.598 4.313 -3.359 1.00 42.24 H new ATOM 0 HB3 PHE A 108 -4.312 3.132 -3.510 1.00 42.24 H new ATOM 0 HD1 PHE A 108 -5.369 6.109 -1.471 1.00 25.34 H new ATOM 0 HD2 PHE A 108 -3.076 2.481 -1.626 1.00 53.54 H new ATOM 0 HE1 PHE A 108 -4.422 6.618 0.772 1.00 0.01 H new ATOM 0 HE2 PHE A 108 -2.484 2.780 0.772 1.00 4.04 H new ATOM 0 HZ PHE A 108 -2.983 4.932 1.888 1.00 41.14 H new ATOM 1030 N SER A 109 -2.580 4.669 -6.125 1.00 21.44 N ATOM 1031 CA SER A 109 -2.383 4.296 -7.520 1.00 21.03 C ATOM 1032 C SER A 109 -2.114 2.792 -7.665 1.00 34.55 C ATOM 1033 O SER A 109 -1.982 2.078 -6.668 1.00 24.41 O ATOM 1034 CB SER A 109 -1.188 5.081 -8.071 1.00 2.22 C ATOM 1035 OG SER A 109 -1.231 6.451 -7.714 1.00 61.11 O ATOM 0 H SER A 109 -1.708 4.869 -5.636 1.00 21.44 H new ATOM 0 HA SER A 109 -3.290 4.530 -8.077 1.00 21.03 H new ATOM 0 HB2 SER A 109 -0.264 4.640 -7.698 1.00 2.22 H new ATOM 0 HB3 SER A 109 -1.168 4.992 -9.157 1.00 2.22 H new ATOM 0 HG SER A 109 -0.449 6.911 -8.085 1.00 61.11 H new ATOM 1041 N PHE A 110 -2.041 2.304 -8.905 1.00 34.51 N ATOM 1042 CA PHE A 110 -1.771 0.907 -9.241 1.00 53.12 C ATOM 1043 C PHE A 110 -0.323 0.788 -9.749 1.00 31.24 C ATOM 1044 O PHE A 110 0.220 1.776 -10.252 1.00 43.04 O ATOM 1045 CB PHE A 110 -2.790 0.413 -10.273 1.00 4.44 C ATOM 1046 CG PHE A 110 -4.153 0.087 -9.689 1.00 25.10 C ATOM 1047 CD1 PHE A 110 -5.084 1.109 -9.422 1.00 72.41 C ATOM 1048 CD2 PHE A 110 -4.498 -1.251 -9.420 1.00 34.42 C ATOM 1049 CE1 PHE A 110 -6.357 0.794 -8.911 1.00 73.13 C ATOM 1050 CE2 PHE A 110 -5.777 -1.565 -8.928 1.00 72.13 C ATOM 1051 CZ PHE A 110 -6.708 -0.545 -8.670 1.00 71.11 C ATOM 0 H PHE A 110 -2.173 2.891 -9.729 1.00 34.51 H new ATOM 0 HA PHE A 110 -1.875 0.274 -8.360 1.00 53.12 H new ATOM 0 HB2 PHE A 110 -2.909 1.174 -11.044 1.00 4.44 H new ATOM 0 HB3 PHE A 110 -2.394 -0.477 -10.762 1.00 4.44 H new ATOM 0 HD1 PHE A 110 -4.820 2.139 -9.610 1.00 72.41 H new ATOM 0 HD2 PHE A 110 -3.779 -2.038 -9.592 1.00 34.42 H new ATOM 0 HE1 PHE A 110 -7.065 1.583 -8.704 1.00 73.13 H new ATOM 0 HE2 PHE A 110 -6.045 -2.595 -8.747 1.00 72.13 H new ATOM 0 HZ PHE A 110 -7.688 -0.789 -8.288 1.00 71.11 H new ATOM 1061 N PRO A 111 0.304 -0.402 -9.669 1.00 51.31 N ATOM 1062 CA PRO A 111 1.689 -0.597 -10.097 1.00 24.33 C ATOM 1063 C PRO A 111 1.912 -0.465 -11.610 1.00 34.54 C ATOM 1064 O PRO A 111 0.971 -0.625 -12.398 1.00 41.02 O ATOM 1065 CB PRO A 111 2.083 -1.999 -9.607 1.00 31.44 C ATOM 1066 CG PRO A 111 0.755 -2.733 -9.444 1.00 75.21 C ATOM 1067 CD PRO A 111 -0.244 -1.628 -9.108 1.00 33.42 C ATOM 0 HA PRO A 111 2.309 0.192 -9.671 1.00 24.33 H new ATOM 0 HB2 PRO A 111 2.730 -2.503 -10.325 1.00 31.44 H new ATOM 0 HB3 PRO A 111 2.629 -1.951 -8.665 1.00 31.44 H new ATOM 0 HG2 PRO A 111 0.476 -3.259 -10.357 1.00 75.21 H new ATOM 0 HG3 PRO A 111 0.807 -3.478 -8.650 1.00 75.21 H new ATOM 0 HD2 PRO A 111 -1.224 -1.847 -9.533 1.00 33.42 H new ATOM 0 HD3 PRO A 111 -0.377 -1.538 -8.030 1.00 33.42 H new ATOM 1075 N PRO A 112 3.160 -0.191 -12.040 1.00 53.12 N ATOM 1076 CA PRO A 112 3.494 -0.074 -13.448 1.00 72.05 C ATOM 1077 C PRO A 112 3.377 -1.485 -14.021 1.00 53.43 C ATOM 1078 O PRO A 112 4.115 -2.394 -13.617 1.00 64.15 O ATOM 1079 CB PRO A 112 4.914 0.497 -13.506 1.00 34.45 C ATOM 1080 CG PRO A 112 5.534 0.080 -12.174 1.00 63.13 C ATOM 1081 CD PRO A 112 4.344 0.026 -11.219 1.00 73.35 C ATOM 0 HA PRO A 112 2.847 0.584 -14.028 1.00 72.05 H new ATOM 0 HB2 PRO A 112 5.473 0.093 -14.350 1.00 34.45 H new ATOM 0 HB3 PRO A 112 4.904 1.581 -13.620 1.00 34.45 H new ATOM 0 HG2 PRO A 112 6.031 -0.887 -12.249 1.00 63.13 H new ATOM 0 HG3 PRO A 112 6.283 0.798 -11.839 1.00 63.13 H new ATOM 0 HD2 PRO A 112 4.465 -0.779 -10.494 1.00 73.35 H new ATOM 0 HD3 PRO A 112 4.259 0.954 -10.654 1.00 73.35 H new ATOM 1089 N GLY A 113 2.448 -1.662 -14.954 1.00 4.11 N ATOM 1090 CA GLY A 113 2.165 -2.926 -15.606 1.00 25.34 C ATOM 1091 C GLY A 113 0.702 -3.321 -15.464 1.00 75.20 C ATOM 1092 O GLY A 113 0.256 -4.150 -16.252 1.00 30.33 O ATOM 0 H GLY A 113 1.854 -0.902 -15.285 1.00 4.11 H new ATOM 0 HA2 GLY A 113 2.421 -2.855 -16.663 1.00 25.34 H new ATOM 0 HA3 GLY A 113 2.795 -3.705 -15.177 1.00 25.34 H new ATOM 1096 N PHE A 114 -0.035 -2.723 -14.516 1.00 54.11 N ATOM 1097 CA PHE A 114 -1.446 -3.006 -14.263 1.00 52.31 C ATOM 1098 C PHE A 114 -2.332 -2.578 -15.438 1.00 53.02 C ATOM 1099 O PHE A 114 -3.424 -3.122 -15.630 1.00 14.51 O ATOM 1100 CB PHE A 114 -1.869 -2.305 -12.968 1.00 50.24 C ATOM 1101 CG PHE A 114 -3.297 -2.592 -12.556 1.00 74.14 C ATOM 1102 CD1 PHE A 114 -3.597 -3.748 -11.812 1.00 42.52 C ATOM 1103 CD2 PHE A 114 -4.330 -1.716 -12.937 1.00 60.11 C ATOM 1104 CE1 PHE A 114 -4.920 -4.013 -11.420 1.00 34.11 C ATOM 1105 CE2 PHE A 114 -5.655 -1.984 -12.552 1.00 23.13 C ATOM 1106 CZ PHE A 114 -5.946 -3.124 -11.782 1.00 74.50 C ATOM 0 H PHE A 114 0.348 -2.013 -13.892 1.00 54.11 H new ATOM 0 HA PHE A 114 -1.575 -4.083 -14.154 1.00 52.31 H new ATOM 0 HB2 PHE A 114 -1.200 -2.613 -12.164 1.00 50.24 H new ATOM 0 HB3 PHE A 114 -1.746 -1.229 -13.091 1.00 50.24 H new ATOM 0 HD1 PHE A 114 -2.808 -4.434 -11.541 1.00 42.52 H new ATOM 0 HD2 PHE A 114 -4.105 -0.838 -13.525 1.00 60.11 H new ATOM 0 HE1 PHE A 114 -5.147 -4.897 -10.843 1.00 34.11 H new ATOM 0 HE2 PHE A 114 -6.449 -1.315 -12.847 1.00 23.13 H new ATOM 0 HZ PHE A 114 -6.961 -3.317 -11.468 1.00 74.50 H new ATOM 1116 N GLU A 115 -1.893 -1.574 -16.192 1.00 42.13 N ATOM 1117 CA GLU A 115 -2.589 -1.063 -17.365 1.00 15.23 C ATOM 1118 C GLU A 115 -1.905 -1.721 -18.551 1.00 64.13 C ATOM 1119 O GLU A 115 -0.717 -1.412 -18.778 1.00 63.34 O ATOM 1120 CB GLU A 115 -2.581 0.476 -17.451 1.00 72.04 C ATOM 1121 CG GLU A 115 -3.092 1.189 -16.187 1.00 1.13 C ATOM 1122 CD GLU A 115 -3.858 2.473 -16.538 1.00 61.53 C ATOM 1123 OE1 GLU A 115 -3.292 3.361 -17.221 1.00 13.42 O ATOM 1124 OE2 GLU A 115 -5.067 2.569 -16.213 1.00 12.30 O ATOM 0 H GLU A 115 -1.021 -1.082 -15.998 1.00 42.13 H new ATOM 0 HA GLU A 115 -3.651 -1.307 -17.329 1.00 15.23 H new ATOM 0 HB2 GLU A 115 -1.564 0.810 -17.655 1.00 72.04 H new ATOM 0 HB3 GLU A 115 -3.194 0.783 -18.299 1.00 72.04 H new ATOM 0 HG2 GLU A 115 -3.742 0.517 -15.627 1.00 1.13 H new ATOM 0 HG3 GLU A 115 -2.250 1.432 -15.539 1.00 1.13 H new