USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 421 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: B 134 SER OG : rot -164:sc= 0.415 USER MOD Set 1.2: B 137 THR OG1 : rot 180:sc= 0.484 USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 103 TYR OH : rot 180:sc= -0.0785 USER MOD Single : B 107 THR OG1 : rot 101:sc= 0.343 USER MOD Single : B 112 SER OG : rot 13:sc= 0.2 USER MOD Single : B 114 HIS : no HD1:sc= -2.01 K(o=-2,f=-0.88) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 123 ASN : amide:sc=-0.00254 K(o=-0.0025,f=1.1) USER MOD Single : B 124 SER OG : rot 170:sc= -0.0223 USER MOD Single : B 136 THR OG1 : rot 141:sc= 0.0128 USER MOD Single : B 140 THR OG1 : rot 180:sc= -0.302 USER MOD Single : B 142 TYR OH : rot 180:sc= 0 USER MOD Single : B 145 SER OG : rot -115:sc= 1.01 USER MOD Single : B 146 ASN : amide:sc= -0.116 K(o=-0.12,f=-3.3) USER MOD Single : B 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N LEU A 95 -10.999 0.025 -21.331 1.00 0.00 N ATOM 70 CA LEU A 95 -10.594 -1.304 -20.787 1.00 0.00 C ATOM 71 C LEU A 95 -9.076 -1.467 -20.937 1.00 0.00 C ATOM 72 O LEU A 95 -8.594 -1.767 -22.011 1.00 0.00 O ATOM 73 CB LEU A 95 -11.303 -2.410 -21.570 1.00 0.00 C ATOM 74 CG LEU A 95 -11.656 -3.557 -20.624 1.00 0.00 C ATOM 75 CD1 LEU A 95 -12.392 -4.651 -21.400 1.00 0.00 C ATOM 76 CD2 LEU A 95 -10.372 -4.135 -20.024 1.00 0.00 C ATOM 0 HA LEU A 95 -10.869 -1.370 -19.734 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.207 -2.018 -22.037 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.660 -2.771 -22.373 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.297 -3.185 -19.825 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -12.644 -5.469 -20.725 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -13.306 -4.240 -21.829 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.751 -5.024 -22.199 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.622 -4.953 -19.349 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.732 -4.507 -20.824 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.846 -3.357 -19.471 1.00 0.00 H new ATOM 88 N PRO A 96 -8.365 -1.259 -19.855 1.00 0.00 N ATOM 89 CA PRO A 96 -6.895 -1.374 -19.850 1.00 0.00 C ATOM 90 C PRO A 96 -6.470 -2.795 -20.233 1.00 0.00 C ATOM 91 O PRO A 96 -7.256 -3.574 -20.733 1.00 0.00 O ATOM 92 CB PRO A 96 -6.480 -1.055 -18.407 1.00 0.00 C ATOM 93 CG PRO A 96 -7.769 -0.756 -17.599 1.00 0.00 C ATOM 94 CD PRO A 96 -8.963 -0.899 -18.555 1.00 0.00 C ATOM 0 HA PRO A 96 -6.425 -0.702 -20.568 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.941 -1.896 -17.970 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.807 -0.198 -18.384 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.865 -1.447 -16.762 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.733 0.249 -17.180 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.655 -1.668 -18.211 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.528 0.030 -18.624 1.00 0.00 H new ATOM 238 N LEU B 86 -18.965 -8.254 -2.593 1.00 0.00 N ATOM 239 CA LEU B 86 -17.861 -7.254 -2.554 1.00 0.00 C ATOM 240 C LEU B 86 -16.760 -7.664 -3.537 1.00 0.00 C ATOM 241 O LEU B 86 -16.541 -8.833 -3.787 1.00 0.00 O ATOM 242 CB LEU B 86 -17.283 -7.188 -1.138 1.00 0.00 C ATOM 243 CG LEU B 86 -16.779 -5.772 -0.856 1.00 0.00 C ATOM 244 CD1 LEU B 86 -17.913 -4.935 -0.261 1.00 0.00 C ATOM 245 CD2 LEU B 86 -15.617 -5.832 0.138 1.00 0.00 C ATOM 0 HA LEU B 86 -18.249 -6.275 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -18.045 -7.466 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -16.467 -7.903 -1.034 1.00 0.00 H new ATOM 0 HG LEU B 86 -16.440 -5.317 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -17.554 -3.926 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -18.742 -4.891 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -18.253 -5.391 0.669 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -15.258 -4.823 0.339 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -15.957 -6.288 1.068 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -14.808 -6.428 -0.284 1.00 0.00 H new ATOM 257 N PHE B 87 -16.066 -6.710 -4.095 1.00 0.00 N ATOM 258 CA PHE B 87 -14.978 -7.040 -5.062 1.00 0.00 C ATOM 259 C PHE B 87 -13.758 -6.160 -4.775 1.00 0.00 C ATOM 260 O PHE B 87 -13.878 -4.973 -4.546 1.00 0.00 O ATOM 261 CB PHE B 87 -15.465 -6.776 -6.489 1.00 0.00 C ATOM 262 CG PHE B 87 -16.462 -7.836 -6.894 1.00 0.00 C ATOM 263 CD1 PHE B 87 -17.764 -7.802 -6.384 1.00 0.00 C ATOM 264 CD2 PHE B 87 -16.084 -8.850 -7.783 1.00 0.00 C ATOM 265 CE1 PHE B 87 -18.690 -8.781 -6.762 1.00 0.00 C ATOM 266 CE2 PHE B 87 -17.010 -9.829 -8.162 1.00 0.00 C ATOM 267 CZ PHE B 87 -18.314 -9.795 -7.651 1.00 0.00 C ATOM 0 H PHE B 87 -16.205 -5.714 -3.923 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.706 -8.090 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -15.925 -5.789 -6.549 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.620 -6.777 -7.177 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -18.055 -7.020 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.078 -8.877 -8.176 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -19.695 -8.754 -6.368 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -16.719 -10.611 -8.848 1.00 0.00 H new ATOM 0 HZ PHE B 87 -19.029 -10.550 -7.943 1.00 0.00 H new ATOM 277 N VAL B 88 -12.583 -6.731 -4.792 1.00 0.00 N ATOM 278 CA VAL B 88 -11.359 -5.923 -4.526 1.00 0.00 C ATOM 279 C VAL B 88 -10.681 -5.588 -5.856 1.00 0.00 C ATOM 280 O VAL B 88 -10.846 -6.284 -6.839 1.00 0.00 O ATOM 281 CB VAL B 88 -10.390 -6.723 -3.651 1.00 0.00 C ATOM 282 CG1 VAL B 88 -9.428 -5.763 -2.948 1.00 0.00 C ATOM 283 CG2 VAL B 88 -11.176 -7.513 -2.600 1.00 0.00 C ATOM 0 H VAL B 88 -12.419 -7.720 -4.978 1.00 0.00 H new ATOM 0 HA VAL B 88 -11.636 -5.004 -4.009 1.00 0.00 H new ATOM 0 HB VAL B 88 -9.826 -7.414 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL B 88 -8.738 -6.331 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL B 88 -8.865 -5.201 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL B 88 -9.995 -5.072 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL B 88 -10.484 -8.081 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL B 88 -11.742 -6.823 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL B 88 -11.863 -8.198 -3.098 1.00 0.00 H new ATOM 293 N ALA B 89 -9.921 -4.529 -5.898 1.00 0.00 N ATOM 294 CA ALA B 89 -9.235 -4.156 -7.169 1.00 0.00 C ATOM 295 C ALA B 89 -7.916 -4.921 -7.275 1.00 0.00 C ATOM 296 O ALA B 89 -7.007 -4.725 -6.492 1.00 0.00 O ATOM 297 CB ALA B 89 -8.960 -2.651 -7.183 1.00 0.00 C ATOM 0 H ALA B 89 -9.745 -3.906 -5.110 1.00 0.00 H new ATOM 0 HA ALA B 89 -9.873 -4.411 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -8.459 -2.381 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -9.902 -2.108 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -8.323 -2.390 -6.338 1.00 0.00 H new ATOM 303 N LEU B 100 -7.805 -5.797 -8.236 1.00 0.00 N ATOM 304 CA LEU B 100 -6.548 -6.579 -8.393 1.00 0.00 C ATOM 305 C LEU B 100 -5.421 -5.655 -8.856 1.00 0.00 C ATOM 306 O LEU B 100 -4.261 -6.016 -8.830 1.00 0.00 O ATOM 307 CB LEU B 100 -6.761 -7.683 -9.431 1.00 0.00 C ATOM 308 CG LEU B 100 -8.130 -8.332 -9.222 1.00 0.00 C ATOM 309 CD1 LEU B 100 -8.919 -8.294 -10.533 1.00 0.00 C ATOM 310 CD2 LEU B 100 -7.942 -9.786 -8.782 1.00 0.00 C ATOM 0 H LEU B 100 -8.533 -6.005 -8.920 1.00 0.00 H new ATOM 0 HA LEU B 100 -6.278 -7.025 -7.436 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.695 -7.267 -10.436 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.975 -8.433 -9.344 1.00 0.00 H new ATOM 0 HG LEU B 100 -8.677 -7.787 -8.453 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -9.895 -8.757 -10.384 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -9.052 -7.259 -10.848 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -8.373 -8.839 -11.302 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -8.917 -10.250 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -7.395 -10.331 -9.551 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -7.380 -9.814 -7.848 1.00 0.00 H new ATOM 322 N TYR B 101 -5.749 -4.466 -9.283 1.00 0.00 N ATOM 323 CA TYR B 101 -4.691 -3.525 -9.748 1.00 0.00 C ATOM 324 C TYR B 101 -5.068 -2.093 -9.363 1.00 0.00 C ATOM 325 O TYR B 101 -6.033 -1.860 -8.664 1.00 0.00 O ATOM 326 CB TYR B 101 -4.556 -3.618 -11.268 1.00 0.00 C ATOM 327 CG TYR B 101 -4.123 -5.011 -11.652 1.00 0.00 C ATOM 328 CD1 TYR B 101 -2.988 -5.580 -11.062 1.00 0.00 C ATOM 329 CD2 TYR B 101 -4.856 -5.734 -12.600 1.00 0.00 C ATOM 330 CE1 TYR B 101 -2.586 -6.872 -11.419 1.00 0.00 C ATOM 331 CE2 TYR B 101 -4.454 -7.026 -12.958 1.00 0.00 C ATOM 332 CZ TYR B 101 -3.319 -7.596 -12.368 1.00 0.00 C ATOM 333 OH TYR B 101 -2.923 -8.869 -12.721 1.00 0.00 O ATOM 0 H TYR B 101 -6.702 -4.106 -9.330 1.00 0.00 H new ATOM 0 HA TYR B 101 -3.744 -3.791 -9.278 1.00 0.00 H new ATOM 0 HB2 TYR B 101 -5.507 -3.378 -11.743 1.00 0.00 H new ATOM 0 HB3 TYR B 101 -3.828 -2.889 -11.624 1.00 0.00 H new ATOM 0 HD1 TYR B 101 -2.422 -5.021 -10.331 1.00 0.00 H new ATOM 0 HD2 TYR B 101 -5.732 -5.295 -13.055 1.00 0.00 H new ATOM 0 HE1 TYR B 101 -1.711 -7.311 -10.963 1.00 0.00 H new ATOM 0 HE2 TYR B 101 -5.020 -7.584 -13.690 1.00 0.00 H new ATOM 0 HH TYR B 101 -3.541 -9.230 -13.390 1.00 0.00 H new ATOM 343 N ASP B 102 -4.313 -1.134 -9.822 1.00 0.00 N ATOM 344 CA ASP B 102 -4.624 0.284 -9.494 1.00 0.00 C ATOM 345 C ASP B 102 -5.137 0.992 -10.748 1.00 0.00 C ATOM 346 O ASP B 102 -4.893 0.563 -11.858 1.00 0.00 O ATOM 347 CB ASP B 102 -3.355 0.983 -9.000 1.00 0.00 C ATOM 348 CG ASP B 102 -2.181 0.608 -9.907 1.00 0.00 C ATOM 349 OD1 ASP B 102 -1.981 1.292 -10.898 1.00 0.00 O ATOM 350 OD2 ASP B 102 -1.502 -0.356 -9.596 1.00 0.00 O ATOM 0 H ASP B 102 -3.492 -1.272 -10.412 1.00 0.00 H new ATOM 0 HA ASP B 102 -5.386 0.320 -8.715 1.00 0.00 H new ATOM 0 HB2 ASP B 102 -3.498 2.064 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP B 102 -3.142 0.690 -7.972 1.00 0.00 H new ATOM 355 N TYR B 103 -5.847 2.074 -10.583 1.00 0.00 N ATOM 356 CA TYR B 103 -6.371 2.806 -11.769 1.00 0.00 C ATOM 357 C TYR B 103 -6.308 4.311 -11.507 1.00 0.00 C ATOM 358 O TYR B 103 -6.270 4.752 -10.376 1.00 0.00 O ATOM 359 CB TYR B 103 -7.821 2.394 -12.029 1.00 0.00 C ATOM 360 CG TYR B 103 -8.262 2.942 -13.364 1.00 0.00 C ATOM 361 CD1 TYR B 103 -7.681 2.462 -14.543 1.00 0.00 C ATOM 362 CD2 TYR B 103 -9.250 3.933 -13.422 1.00 0.00 C ATOM 363 CE1 TYR B 103 -8.087 2.973 -15.782 1.00 0.00 C ATOM 364 CE2 TYR B 103 -9.656 4.444 -14.660 1.00 0.00 C ATOM 365 CZ TYR B 103 -9.075 3.964 -15.840 1.00 0.00 C ATOM 366 OH TYR B 103 -9.474 4.468 -17.061 1.00 0.00 O ATOM 0 H TYR B 103 -6.086 2.482 -9.679 1.00 0.00 H new ATOM 0 HA TYR B 103 -5.765 2.562 -12.641 1.00 0.00 H new ATOM 0 HB2 TYR B 103 -7.910 1.308 -12.021 1.00 0.00 H new ATOM 0 HB3 TYR B 103 -8.467 2.772 -11.236 1.00 0.00 H new ATOM 0 HD1 TYR B 103 -6.920 1.697 -14.497 1.00 0.00 H new ATOM 0 HD2 TYR B 103 -9.698 4.303 -12.512 1.00 0.00 H new ATOM 0 HE1 TYR B 103 -7.639 2.603 -16.692 1.00 0.00 H new ATOM 0 HE2 TYR B 103 -10.417 5.209 -14.705 1.00 0.00 H new ATOM 0 HH TYR B 103 -10.168 5.147 -16.924 1.00 0.00 H new ATOM 376 N GLU B 104 -6.295 5.103 -12.543 1.00 0.00 N ATOM 377 CA GLU B 104 -6.231 6.579 -12.353 1.00 0.00 C ATOM 378 C GLU B 104 -7.314 7.251 -13.201 1.00 0.00 C ATOM 379 O GLU B 104 -7.110 7.551 -14.360 1.00 0.00 O ATOM 380 CB GLU B 104 -4.853 7.086 -12.782 1.00 0.00 C ATOM 381 CG GLU B 104 -3.800 6.608 -11.781 1.00 0.00 C ATOM 382 CD GLU B 104 -3.292 7.798 -10.967 1.00 0.00 C ATOM 383 OE1 GLU B 104 -3.102 8.853 -11.550 1.00 0.00 O ATOM 384 OE2 GLU B 104 -3.103 7.635 -9.773 1.00 0.00 O ATOM 0 H GLU B 104 -6.326 4.792 -13.514 1.00 0.00 H new ATOM 0 HA GLU B 104 -6.395 6.820 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.614 6.720 -13.780 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.854 8.175 -12.833 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.228 5.857 -11.118 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -2.972 6.134 -12.307 1.00 0.00 H new ATOM 391 N ALA B 105 -8.463 7.487 -12.631 1.00 0.00 N ATOM 392 CA ALA B 105 -9.563 8.138 -13.399 1.00 0.00 C ATOM 393 C ALA B 105 -9.017 9.338 -14.172 1.00 0.00 C ATOM 394 O ALA B 105 -8.311 10.169 -13.635 1.00 0.00 O ATOM 395 CB ALA B 105 -10.650 8.609 -12.431 1.00 0.00 C ATOM 0 H ALA B 105 -8.689 7.257 -11.663 1.00 0.00 H new ATOM 0 HA ALA B 105 -9.984 7.419 -14.102 1.00 0.00 H new ATOM 0 HB1 ALA B 105 -11.455 9.085 -12.991 1.00 0.00 H new ATOM 0 HB2 ALA B 105 -11.046 7.753 -11.884 1.00 0.00 H new ATOM 0 HB3 ALA B 105 -10.225 9.325 -11.727 1.00 0.00 H new ATOM 401 N ARG B 106 -9.347 9.438 -15.431 1.00 0.00 N ATOM 402 CA ARG B 106 -8.858 10.585 -16.242 1.00 0.00 C ATOM 403 C ARG B 106 -10.051 11.430 -16.695 1.00 0.00 C ATOM 404 O ARG B 106 -9.892 12.467 -17.307 1.00 0.00 O ATOM 405 CB ARG B 106 -8.113 10.062 -17.474 1.00 0.00 C ATOM 406 CG ARG B 106 -7.328 8.802 -17.104 1.00 0.00 C ATOM 407 CD ARG B 106 -6.645 8.244 -18.355 1.00 0.00 C ATOM 408 NE ARG B 106 -7.502 7.188 -18.961 1.00 0.00 N ATOM 409 CZ ARG B 106 -7.271 6.779 -20.179 1.00 0.00 C ATOM 410 NH1 ARG B 106 -7.759 7.440 -21.192 1.00 0.00 N ATOM 411 NH2 ARG B 106 -6.550 5.710 -20.382 1.00 0.00 N ATOM 0 H ARG B 106 -9.935 8.773 -15.932 1.00 0.00 H new ATOM 0 HA ARG B 106 -8.183 11.193 -15.640 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -8.821 9.840 -18.272 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.435 10.827 -17.853 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -6.583 9.034 -16.343 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -7.998 8.055 -16.678 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -6.472 9.044 -19.075 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -5.670 7.831 -18.096 1.00 0.00 H new ATOM 0 HE ARG B 106 -8.270 6.784 -18.424 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -8.321 8.276 -21.032 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -7.579 7.121 -22.144 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -6.167 5.195 -19.589 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -6.369 5.390 -21.333 1.00 0.00 H new ATOM 425 N THR B 107 -11.249 10.994 -16.401 1.00 0.00 N ATOM 426 CA THR B 107 -12.447 11.776 -16.822 1.00 0.00 C ATOM 427 C THR B 107 -13.532 11.681 -15.745 1.00 0.00 C ATOM 428 O THR B 107 -13.324 11.124 -14.686 1.00 0.00 O ATOM 429 CB THR B 107 -12.989 11.218 -18.142 1.00 0.00 C ATOM 430 OG1 THR B 107 -13.939 10.197 -17.868 1.00 0.00 O ATOM 431 CG2 THR B 107 -11.839 10.640 -18.968 1.00 0.00 C ATOM 0 H THR B 107 -11.448 10.134 -15.890 1.00 0.00 H new ATOM 0 HA THR B 107 -12.163 12.820 -16.958 1.00 0.00 H new ATOM 0 HB THR B 107 -13.468 12.019 -18.705 1.00 0.00 H new ATOM 0 HG1 THR B 107 -14.845 10.558 -17.966 1.00 0.00 H new ATOM 0 HG21 THR B 107 -12.228 10.244 -19.906 1.00 0.00 H new ATOM 0 HG22 THR B 107 -11.112 11.425 -19.179 1.00 0.00 H new ATOM 0 HG23 THR B 107 -11.356 9.839 -18.409 1.00 0.00 H new ATOM 439 N GLU B 108 -14.690 12.229 -16.007 1.00 0.00 N ATOM 440 CA GLU B 108 -15.789 12.184 -15.002 1.00 0.00 C ATOM 441 C GLU B 108 -16.606 10.899 -15.174 1.00 0.00 C ATOM 442 O GLU B 108 -17.738 10.813 -14.740 1.00 0.00 O ATOM 443 CB GLU B 108 -16.706 13.392 -15.204 1.00 0.00 C ATOM 444 CG GLU B 108 -16.598 14.326 -13.997 1.00 0.00 C ATOM 445 CD GLU B 108 -17.987 14.549 -13.399 1.00 0.00 C ATOM 446 OE1 GLU B 108 -18.786 13.629 -13.449 1.00 0.00 O ATOM 447 OE2 GLU B 108 -18.230 15.637 -12.902 1.00 0.00 O ATOM 0 H GLU B 108 -14.921 12.707 -16.878 1.00 0.00 H new ATOM 0 HA GLU B 108 -15.359 12.204 -14.001 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -16.428 13.924 -16.114 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -17.737 13.062 -15.330 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -15.933 13.895 -13.249 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -16.163 15.279 -14.299 1.00 0.00 H new ATOM 454 N ASP B 109 -16.049 9.899 -15.802 1.00 0.00 N ATOM 455 CA ASP B 109 -16.810 8.628 -15.991 1.00 0.00 C ATOM 456 C ASP B 109 -15.994 7.453 -15.449 1.00 0.00 C ATOM 457 O ASP B 109 -16.352 6.306 -15.624 1.00 0.00 O ATOM 458 CB ASP B 109 -17.085 8.410 -17.481 1.00 0.00 C ATOM 459 CG ASP B 109 -18.203 9.349 -17.937 1.00 0.00 C ATOM 460 OD1 ASP B 109 -18.898 9.871 -17.081 1.00 0.00 O ATOM 461 OD2 ASP B 109 -18.347 9.528 -19.135 1.00 0.00 O ATOM 0 H ASP B 109 -15.106 9.905 -16.191 1.00 0.00 H new ATOM 0 HA ASP B 109 -17.755 8.693 -15.452 1.00 0.00 H new ATOM 0 HB2 ASP B 109 -16.180 8.597 -18.060 1.00 0.00 H new ATOM 0 HB3 ASP B 109 -17.370 7.374 -17.661 1.00 0.00 H new ATOM 466 N ASP B 110 -14.902 7.727 -14.790 1.00 0.00 N ATOM 467 CA ASP B 110 -14.071 6.620 -14.239 1.00 0.00 C ATOM 468 C ASP B 110 -13.662 6.951 -12.802 1.00 0.00 C ATOM 469 O ASP B 110 -13.775 8.077 -12.358 1.00 0.00 O ATOM 470 CB ASP B 110 -12.818 6.446 -15.101 1.00 0.00 C ATOM 471 CG ASP B 110 -13.211 6.457 -16.580 1.00 0.00 C ATOM 472 OD1 ASP B 110 -14.233 5.877 -16.905 1.00 0.00 O ATOM 473 OD2 ASP B 110 -12.481 7.044 -17.362 1.00 0.00 O ATOM 0 H ASP B 110 -14.550 8.667 -14.610 1.00 0.00 H new ATOM 0 HA ASP B 110 -14.648 5.695 -14.246 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -12.108 7.248 -14.896 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.320 5.509 -14.853 1.00 0.00 H new ATOM 478 N LEU B 111 -13.189 5.977 -12.071 1.00 0.00 N ATOM 479 CA LEU B 111 -12.775 6.235 -10.663 1.00 0.00 C ATOM 480 C LEU B 111 -11.258 6.075 -10.534 1.00 0.00 C ATOM 481 O LEU B 111 -10.550 5.949 -11.513 1.00 0.00 O ATOM 482 CB LEU B 111 -13.468 5.233 -9.736 1.00 0.00 C ATOM 483 CG LEU B 111 -14.984 5.357 -9.890 1.00 0.00 C ATOM 484 CD1 LEU B 111 -15.622 3.967 -9.847 1.00 0.00 C ATOM 485 CD2 LEU B 111 -15.543 6.209 -8.748 1.00 0.00 C ATOM 0 H LEU B 111 -13.072 5.015 -12.389 1.00 0.00 H new ATOM 0 HA LEU B 111 -13.059 7.250 -10.385 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -13.149 4.219 -9.977 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -13.181 5.420 -8.701 1.00 0.00 H new ATOM 0 HG LEU B 111 -15.213 5.830 -10.845 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -16.703 4.059 -9.957 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -15.225 3.359 -10.660 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -15.394 3.491 -8.893 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -16.624 6.298 -8.856 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -15.312 5.735 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -15.092 7.201 -8.779 1.00 0.00 H new ATOM 497 N SER B 112 -10.759 6.076 -9.329 1.00 0.00 N ATOM 498 CA SER B 112 -9.291 5.921 -9.125 1.00 0.00 C ATOM 499 C SER B 112 -9.045 5.167 -7.816 1.00 0.00 C ATOM 500 O SER B 112 -9.705 5.400 -6.822 1.00 0.00 O ATOM 501 CB SER B 112 -8.637 7.303 -9.053 1.00 0.00 C ATOM 502 OG SER B 112 -7.227 7.160 -9.159 1.00 0.00 O ATOM 0 H SER B 112 -11.306 6.178 -8.474 1.00 0.00 H new ATOM 0 HA SER B 112 -8.860 5.363 -9.956 1.00 0.00 H new ATOM 0 HB2 SER B 112 -9.011 7.938 -9.856 1.00 0.00 H new ATOM 0 HB3 SER B 112 -8.895 7.792 -8.114 1.00 0.00 H new ATOM 0 HG SER B 112 -7.012 6.250 -9.452 1.00 0.00 H new ATOM 508 N PHE B 113 -8.105 4.262 -7.804 1.00 0.00 N ATOM 509 CA PHE B 113 -7.829 3.494 -6.557 1.00 0.00 C ATOM 510 C PHE B 113 -6.530 2.702 -6.715 1.00 0.00 C ATOM 511 O PHE B 113 -5.763 2.923 -7.630 1.00 0.00 O ATOM 512 CB PHE B 113 -8.984 2.526 -6.299 1.00 0.00 C ATOM 513 CG PHE B 113 -9.272 1.752 -7.563 1.00 0.00 C ATOM 514 CD1 PHE B 113 -8.568 0.574 -7.834 1.00 0.00 C ATOM 515 CD2 PHE B 113 -10.238 2.215 -8.465 1.00 0.00 C ATOM 516 CE1 PHE B 113 -8.829 -0.143 -9.007 1.00 0.00 C ATOM 517 CE2 PHE B 113 -10.499 1.496 -9.639 1.00 0.00 C ATOM 518 CZ PHE B 113 -9.795 0.318 -9.910 1.00 0.00 C ATOM 0 H PHE B 113 -7.517 4.021 -8.602 1.00 0.00 H new ATOM 0 HA PHE B 113 -7.730 4.184 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE B 113 -8.728 1.842 -5.490 1.00 0.00 H new ATOM 0 HB3 PHE B 113 -9.871 3.075 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE B 113 -7.823 0.218 -7.138 1.00 0.00 H new ATOM 0 HD2 PHE B 113 -10.781 3.125 -8.256 1.00 0.00 H new ATOM 0 HE1 PHE B 113 -8.285 -1.052 -9.216 1.00 0.00 H new ATOM 0 HE2 PHE B 113 -11.244 1.852 -10.335 1.00 0.00 H new ATOM 0 HZ PHE B 113 -9.996 -0.236 -10.815 1.00 0.00 H new ATOM 528 N HIS B 114 -6.276 1.778 -5.826 1.00 0.00 N ATOM 529 CA HIS B 114 -5.028 0.973 -5.924 1.00 0.00 C ATOM 530 C HIS B 114 -5.336 -0.495 -5.617 1.00 0.00 C ATOM 531 O HIS B 114 -6.390 -0.827 -5.113 1.00 0.00 O ATOM 532 CB HIS B 114 -4.003 1.494 -4.915 1.00 0.00 C ATOM 533 CG HIS B 114 -3.818 2.973 -5.107 1.00 0.00 C ATOM 534 ND1 HIS B 114 -3.894 3.870 -4.053 1.00 0.00 N ATOM 535 CD2 HIS B 114 -3.563 3.728 -6.225 1.00 0.00 C ATOM 536 CE1 HIS B 114 -3.688 5.101 -4.553 1.00 0.00 C ATOM 537 NE2 HIS B 114 -3.481 5.073 -5.873 1.00 0.00 N ATOM 0 H HIS B 114 -6.880 1.548 -5.037 1.00 0.00 H new ATOM 0 HA HIS B 114 -4.625 1.057 -6.933 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -4.340 1.288 -3.899 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -3.052 0.978 -5.047 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -3.444 3.338 -7.225 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -3.690 6.003 -3.960 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -3.302 5.866 -6.490 1.00 0.00 H new ATOM 545 N LYS B 115 -4.421 -1.374 -5.918 1.00 0.00 N ATOM 546 CA LYS B 115 -4.651 -2.819 -5.646 1.00 0.00 C ATOM 547 C LYS B 115 -4.897 -3.022 -4.148 1.00 0.00 C ATOM 548 O LYS B 115 -4.019 -2.819 -3.331 1.00 0.00 O ATOM 549 CB LYS B 115 -3.417 -3.616 -6.084 1.00 0.00 C ATOM 550 CG LYS B 115 -3.442 -5.011 -5.456 1.00 0.00 C ATOM 551 CD LYS B 115 -2.379 -5.889 -6.119 1.00 0.00 C ATOM 552 CE LYS B 115 -1.420 -6.423 -5.054 1.00 0.00 C ATOM 553 NZ LYS B 115 -0.267 -7.097 -5.716 1.00 0.00 N ATOM 0 H LYS B 115 -3.520 -1.152 -6.342 1.00 0.00 H new ATOM 0 HA LYS B 115 -5.522 -3.166 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS B 115 -3.394 -3.698 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS B 115 -2.510 -3.090 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS B 115 -3.255 -4.942 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS B 115 -4.428 -5.459 -5.580 1.00 0.00 H new ATOM 0 HD2 LYS B 115 -2.853 -6.718 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS B 115 -1.829 -5.313 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS B 115 -1.065 -5.606 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS B 115 -1.939 -7.125 -4.401 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 0.385 -7.460 -4.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 -0.614 -7.887 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 0.233 -6.415 -6.321 1.00 0.00 H new ATOM 567 N GLY B 116 -6.083 -3.425 -3.782 1.00 0.00 N ATOM 568 CA GLY B 116 -6.384 -3.644 -2.338 1.00 0.00 C ATOM 569 C GLY B 116 -7.563 -2.764 -1.919 1.00 0.00 C ATOM 570 O GLY B 116 -8.015 -2.813 -0.792 1.00 0.00 O ATOM 0 H GLY B 116 -6.857 -3.612 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY B 116 -6.620 -4.693 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY B 116 -5.508 -3.407 -1.734 1.00 0.00 H new ATOM 574 N GLU B 117 -8.065 -1.958 -2.814 1.00 0.00 N ATOM 575 CA GLU B 117 -9.215 -1.077 -2.459 1.00 0.00 C ATOM 576 C GLU B 117 -10.519 -1.873 -2.555 1.00 0.00 C ATOM 577 O GLU B 117 -10.691 -2.700 -3.428 1.00 0.00 O ATOM 578 CB GLU B 117 -9.267 0.109 -3.424 1.00 0.00 C ATOM 579 CG GLU B 117 -8.677 1.347 -2.745 1.00 0.00 C ATOM 580 CD GLU B 117 -9.584 1.776 -1.590 1.00 0.00 C ATOM 581 OE1 GLU B 117 -10.698 1.283 -1.522 1.00 0.00 O ATOM 582 OE2 GLU B 117 -9.150 2.593 -0.794 1.00 0.00 O ATOM 0 H GLU B 117 -7.730 -1.871 -3.774 1.00 0.00 H new ATOM 0 HA GLU B 117 -9.089 -0.710 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.708 -0.122 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -10.297 0.302 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -7.676 1.129 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.580 2.159 -3.466 1.00 0.00 H new ATOM 589 N LYS B 118 -11.441 -1.627 -1.664 1.00 0.00 N ATOM 590 CA LYS B 118 -12.734 -2.368 -1.705 1.00 0.00 C ATOM 591 C LYS B 118 -13.671 -1.697 -2.712 1.00 0.00 C ATOM 592 O LYS B 118 -13.569 -0.516 -2.975 1.00 0.00 O ATOM 593 CB LYS B 118 -13.378 -2.348 -0.317 1.00 0.00 C ATOM 594 CG LYS B 118 -12.895 -3.557 0.486 1.00 0.00 C ATOM 595 CD LYS B 118 -11.437 -3.346 0.895 1.00 0.00 C ATOM 596 CE LYS B 118 -11.266 -3.694 2.375 1.00 0.00 C ATOM 597 NZ LYS B 118 -11.340 -2.449 3.191 1.00 0.00 N ATOM 0 H LYS B 118 -11.355 -0.945 -0.910 1.00 0.00 H new ATOM 0 HA LYS B 118 -12.554 -3.400 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -13.119 -1.426 0.203 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -14.464 -2.368 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -13.517 -3.691 1.371 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -12.989 -4.465 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -10.783 -3.970 0.286 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -11.145 -2.311 0.718 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -12.042 -4.393 2.687 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -10.308 -4.190 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -11.224 -2.686 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -10.584 -1.797 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -12.264 -1.994 3.047 1.00 0.00 H new ATOM 611 N PHE B 119 -14.582 -2.440 -3.280 1.00 0.00 N ATOM 612 CA PHE B 119 -15.519 -1.838 -4.269 1.00 0.00 C ATOM 613 C PHE B 119 -16.856 -2.578 -4.231 1.00 0.00 C ATOM 614 O PHE B 119 -16.904 -3.786 -4.104 1.00 0.00 O ATOM 615 CB PHE B 119 -14.917 -1.950 -5.672 1.00 0.00 C ATOM 616 CG PHE B 119 -13.906 -0.848 -5.877 1.00 0.00 C ATOM 617 CD1 PHE B 119 -14.332 0.435 -6.237 1.00 0.00 C ATOM 618 CD2 PHE B 119 -12.541 -1.110 -5.706 1.00 0.00 C ATOM 619 CE1 PHE B 119 -13.395 1.458 -6.425 1.00 0.00 C ATOM 620 CE2 PHE B 119 -11.603 -0.088 -5.895 1.00 0.00 C ATOM 621 CZ PHE B 119 -12.031 1.196 -6.254 1.00 0.00 C ATOM 0 H PHE B 119 -14.717 -3.435 -3.102 1.00 0.00 H new ATOM 0 HA PHE B 119 -15.680 -0.789 -4.021 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -14.441 -2.922 -5.798 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -15.704 -1.880 -6.423 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -15.385 0.636 -6.370 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -12.212 -2.100 -5.428 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -13.725 2.449 -6.702 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -10.550 -0.290 -5.764 1.00 0.00 H new ATOM 0 HZ PHE B 119 -11.308 1.985 -6.399 1.00 0.00 H new ATOM 631 N GLN B 120 -17.943 -1.866 -4.347 1.00 0.00 N ATOM 632 CA GLN B 120 -19.274 -2.533 -4.322 1.00 0.00 C ATOM 633 C GLN B 120 -19.868 -2.526 -5.734 1.00 0.00 C ATOM 634 O GLN B 120 -20.547 -1.598 -6.127 1.00 0.00 O ATOM 635 CB GLN B 120 -20.209 -1.777 -3.374 1.00 0.00 C ATOM 636 CG GLN B 120 -20.094 -2.367 -1.965 1.00 0.00 C ATOM 637 CD GLN B 120 -21.437 -2.972 -1.553 1.00 0.00 C ATOM 638 OE1 GLN B 120 -21.695 -4.133 -1.800 1.00 0.00 O ATOM 639 NE2 GLN B 120 -22.310 -2.228 -0.929 1.00 0.00 N ATOM 0 H GLN B 120 -17.967 -0.852 -4.458 1.00 0.00 H new ATOM 0 HA GLN B 120 -19.161 -3.560 -3.975 1.00 0.00 H new ATOM 0 HB2 GLN B 120 -19.950 -0.718 -3.359 1.00 0.00 H new ATOM 0 HB3 GLN B 120 -21.238 -1.849 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN B 120 -19.317 -3.131 -1.942 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -19.800 -1.592 -1.258 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -22.094 -1.253 -0.721 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -23.208 -2.622 -0.649 1.00 0.00 H new ATOM 648 N ILE B 121 -19.616 -3.552 -6.501 1.00 0.00 N ATOM 649 CA ILE B 121 -20.164 -3.599 -7.887 1.00 0.00 C ATOM 650 C ILE B 121 -21.694 -3.567 -7.836 1.00 0.00 C ATOM 651 O ILE B 121 -22.325 -4.454 -7.296 1.00 0.00 O ATOM 652 CB ILE B 121 -19.710 -4.887 -8.576 1.00 0.00 C ATOM 653 CG1 ILE B 121 -18.182 -4.916 -8.658 1.00 0.00 C ATOM 654 CG2 ILE B 121 -20.295 -4.943 -9.988 1.00 0.00 C ATOM 655 CD1 ILE B 121 -17.681 -3.637 -9.330 1.00 0.00 C ATOM 0 H ILE B 121 -19.055 -4.359 -6.228 1.00 0.00 H new ATOM 0 HA ILE B 121 -19.799 -2.738 -8.446 1.00 0.00 H new ATOM 0 HB ILE B 121 -20.058 -5.745 -8.002 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -17.756 -5.005 -7.659 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -17.854 -5.788 -9.223 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -19.972 -5.861 -10.480 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -21.383 -4.925 -9.932 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -19.947 -4.083 -10.560 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -16.593 -3.659 -9.388 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -18.097 -3.567 -10.335 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -17.996 -2.772 -8.746 1.00 0.00 H new ATOM 667 N LEU B 122 -22.296 -2.555 -8.398 1.00 0.00 N ATOM 668 CA LEU B 122 -23.783 -2.473 -8.386 1.00 0.00 C ATOM 669 C LEU B 122 -24.331 -3.049 -9.691 1.00 0.00 C ATOM 670 O LEU B 122 -25.159 -3.938 -9.694 1.00 0.00 O ATOM 671 CB LEU B 122 -24.216 -1.011 -8.256 1.00 0.00 C ATOM 672 CG LEU B 122 -23.248 -0.270 -7.333 1.00 0.00 C ATOM 673 CD1 LEU B 122 -23.815 1.111 -6.998 1.00 0.00 C ATOM 674 CD2 LEU B 122 -23.063 -1.069 -6.042 1.00 0.00 C ATOM 0 H LEU B 122 -21.822 -1.782 -8.865 1.00 0.00 H new ATOM 0 HA LEU B 122 -24.171 -3.042 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -24.233 -0.537 -9.238 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -25.229 -0.955 -7.858 1.00 0.00 H new ATOM 0 HG LEU B 122 -22.286 -0.156 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -23.124 1.638 -6.340 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -23.948 1.682 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -24.777 0.998 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -22.373 -0.542 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -24.026 -1.183 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -22.658 -2.053 -6.278 1.00 0.00 H new ATOM 686 N ASN B 123 -23.871 -2.547 -10.800 1.00 0.00 N ATOM 687 CA ASN B 123 -24.356 -3.058 -12.112 1.00 0.00 C ATOM 688 C ASN B 123 -23.170 -3.582 -12.925 1.00 0.00 C ATOM 689 O ASN B 123 -22.313 -2.829 -13.348 1.00 0.00 O ATOM 690 CB ASN B 123 -25.041 -1.924 -12.879 1.00 0.00 C ATOM 691 CG ASN B 123 -26.541 -1.932 -12.575 1.00 0.00 C ATOM 692 OD1 ASN B 123 -27.037 -1.063 -11.886 1.00 0.00 O ATOM 693 ND2 ASN B 123 -27.289 -2.884 -13.064 1.00 0.00 N ATOM 0 H ASN B 123 -23.177 -1.802 -10.856 1.00 0.00 H new ATOM 0 HA ASN B 123 -25.068 -3.867 -11.947 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -24.607 -0.965 -12.595 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -24.876 -2.044 -13.950 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -28.290 -2.898 -12.868 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -26.873 -3.614 -13.642 1.00 0.00 H new ATOM 700 N SER B 124 -23.113 -4.867 -13.147 1.00 0.00 N ATOM 701 CA SER B 124 -21.983 -5.443 -13.931 1.00 0.00 C ATOM 702 C SER B 124 -22.525 -6.483 -14.914 1.00 0.00 C ATOM 703 O SER B 124 -22.019 -7.583 -15.010 1.00 0.00 O ATOM 704 CB SER B 124 -20.990 -6.111 -12.979 1.00 0.00 C ATOM 705 OG SER B 124 -21.706 -6.864 -12.007 1.00 0.00 O ATOM 0 H SER B 124 -23.802 -5.544 -12.819 1.00 0.00 H new ATOM 0 HA SER B 124 -21.479 -4.648 -14.482 1.00 0.00 H new ATOM 0 HB2 SER B 124 -20.316 -6.762 -13.536 1.00 0.00 H new ATOM 0 HB3 SER B 124 -20.373 -5.357 -12.490 1.00 0.00 H new ATOM 0 HG SER B 124 -21.080 -7.420 -11.498 1.00 0.00 H new ATOM 744 N ASP B 128 -18.371 -3.477 -20.941 1.00 0.00 N ATOM 745 CA ASP B 128 -17.096 -4.034 -20.412 1.00 0.00 C ATOM 746 C ASP B 128 -16.753 -3.348 -19.088 1.00 0.00 C ATOM 747 O ASP B 128 -15.991 -3.860 -18.291 1.00 0.00 O ATOM 748 CB ASP B 128 -15.972 -3.783 -21.420 1.00 0.00 C ATOM 749 CG ASP B 128 -15.726 -5.050 -22.239 1.00 0.00 C ATOM 750 OD1 ASP B 128 -16.280 -6.078 -21.884 1.00 0.00 O ATOM 751 OD2 ASP B 128 -14.987 -4.972 -23.207 1.00 0.00 O ATOM 0 HA ASP B 128 -17.207 -5.106 -20.250 1.00 0.00 H new ATOM 0 HB2 ASP B 128 -16.239 -2.957 -22.080 1.00 0.00 H new ATOM 0 HB3 ASP B 128 -15.060 -3.492 -20.898 1.00 0.00 H new ATOM 756 N TRP B 129 -17.308 -2.191 -18.848 1.00 0.00 N ATOM 757 CA TRP B 129 -17.013 -1.474 -17.576 1.00 0.00 C ATOM 758 C TRP B 129 -18.207 -1.593 -16.629 1.00 0.00 C ATOM 759 O TRP B 129 -19.349 -1.520 -17.038 1.00 0.00 O ATOM 760 CB TRP B 129 -16.750 0.005 -17.873 1.00 0.00 C ATOM 761 CG TRP B 129 -15.359 0.172 -18.392 1.00 0.00 C ATOM 762 CD1 TRP B 129 -14.887 -0.373 -19.536 1.00 0.00 C ATOM 763 CD2 TRP B 129 -14.256 0.926 -17.811 1.00 0.00 C ATOM 764 NE1 TRP B 129 -13.563 -0.003 -19.694 1.00 0.00 N ATOM 765 CE2 TRP B 129 -13.128 0.798 -18.655 1.00 0.00 C ATOM 766 CE3 TRP B 129 -14.124 1.700 -16.643 1.00 0.00 C ATOM 767 CZ2 TRP B 129 -11.914 1.415 -18.353 1.00 0.00 C ATOM 768 CZ3 TRP B 129 -12.903 2.322 -16.335 1.00 0.00 C ATOM 769 CH2 TRP B 129 -11.801 2.179 -17.188 1.00 0.00 C ATOM 0 H TRP B 129 -17.952 -1.712 -19.477 1.00 0.00 H new ATOM 0 HA TRP B 129 -16.133 -1.917 -17.109 1.00 0.00 H new ATOM 0 HB2 TRP B 129 -17.469 0.373 -18.605 1.00 0.00 H new ATOM 0 HB3 TRP B 129 -16.885 0.598 -16.968 1.00 0.00 H new ATOM 0 HD1 TRP B 129 -15.451 -0.995 -20.215 1.00 0.00 H new ATOM 0 HE1 TRP B 129 -12.979 -0.287 -20.481 1.00 0.00 H new ATOM 0 HE3 TRP B 129 -14.968 1.816 -15.979 1.00 0.00 H new ATOM 0 HZ2 TRP B 129 -11.068 1.303 -19.014 1.00 0.00 H new ATOM 0 HZ3 TRP B 129 -12.813 2.914 -15.436 1.00 0.00 H new ATOM 0 HH2 TRP B 129 -10.864 2.659 -16.946 1.00 0.00 H new ATOM 780 N TRP B 130 -17.953 -1.770 -15.362 1.00 0.00 N ATOM 781 CA TRP B 130 -19.072 -1.887 -14.385 1.00 0.00 C ATOM 782 C TRP B 130 -19.124 -0.628 -13.519 1.00 0.00 C ATOM 783 O TRP B 130 -18.137 0.060 -13.349 1.00 0.00 O ATOM 784 CB TRP B 130 -18.840 -3.094 -13.475 1.00 0.00 C ATOM 785 CG TRP B 130 -18.795 -4.348 -14.287 1.00 0.00 C ATOM 786 CD1 TRP B 130 -19.212 -4.465 -15.568 1.00 0.00 C ATOM 787 CD2 TRP B 130 -18.314 -5.662 -13.889 1.00 0.00 C ATOM 788 NE1 TRP B 130 -19.015 -5.771 -15.982 1.00 0.00 N ATOM 789 CE2 TRP B 130 -18.464 -6.547 -14.982 1.00 0.00 C ATOM 790 CE3 TRP B 130 -17.767 -6.167 -12.695 1.00 0.00 C ATOM 791 CZ2 TRP B 130 -18.083 -7.887 -14.893 1.00 0.00 C ATOM 792 CZ3 TRP B 130 -17.383 -7.514 -12.602 1.00 0.00 C ATOM 793 CH2 TRP B 130 -17.541 -8.373 -13.699 1.00 0.00 C ATOM 0 H TRP B 130 -17.018 -1.839 -14.960 1.00 0.00 H new ATOM 0 HA TRP B 130 -20.008 -2.008 -14.930 1.00 0.00 H new ATOM 0 HB2 TRP B 130 -17.905 -2.972 -12.928 1.00 0.00 H new ATOM 0 HB3 TRP B 130 -19.637 -3.159 -12.734 1.00 0.00 H new ATOM 0 HD1 TRP B 130 -19.630 -3.671 -16.169 1.00 0.00 H new ATOM 0 HE1 TRP B 130 -19.248 -6.118 -16.912 1.00 0.00 H new ATOM 0 HE3 TRP B 130 -17.642 -5.514 -11.844 1.00 0.00 H new ATOM 0 HZ2 TRP B 130 -18.206 -8.544 -15.741 1.00 0.00 H new ATOM 0 HZ3 TRP B 130 -16.964 -7.891 -11.681 1.00 0.00 H new ATOM 0 HH2 TRP B 130 -17.244 -9.409 -13.622 1.00 0.00 H new ATOM 804 N GLU B 131 -20.260 -0.333 -12.952 1.00 0.00 N ATOM 805 CA GLU B 131 -20.362 0.867 -12.079 1.00 0.00 C ATOM 806 C GLU B 131 -20.187 0.422 -10.627 1.00 0.00 C ATOM 807 O GLU B 131 -21.016 -0.277 -10.079 1.00 0.00 O ATOM 808 CB GLU B 131 -21.731 1.525 -12.257 1.00 0.00 C ATOM 809 CG GLU B 131 -22.830 0.484 -12.043 1.00 0.00 C ATOM 810 CD GLU B 131 -23.796 0.976 -10.964 1.00 0.00 C ATOM 811 OE1 GLU B 131 -23.359 1.717 -10.098 1.00 0.00 O ATOM 812 OE2 GLU B 131 -24.957 0.605 -11.021 1.00 0.00 O ATOM 0 H GLU B 131 -21.121 -0.871 -13.056 1.00 0.00 H new ATOM 0 HA GLU B 131 -19.591 1.590 -12.346 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -21.848 2.344 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU B 131 -21.812 1.955 -13.255 1.00 0.00 H new ATOM 0 HG2 GLU B 131 -23.367 0.310 -12.975 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -22.391 -0.468 -11.746 1.00 0.00 H new ATOM 819 N ALA B 132 -19.106 0.801 -10.005 1.00 0.00 N ATOM 820 CA ALA B 132 -18.877 0.373 -8.598 1.00 0.00 C ATOM 821 C ALA B 132 -18.985 1.575 -7.660 1.00 0.00 C ATOM 822 O ALA B 132 -18.811 2.709 -8.060 1.00 0.00 O ATOM 823 CB ALA B 132 -17.481 -0.237 -8.478 1.00 0.00 C ATOM 0 H ALA B 132 -18.374 1.386 -10.408 1.00 0.00 H new ATOM 0 HA ALA B 132 -19.630 -0.365 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -17.309 -0.552 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -17.403 -1.100 -9.139 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -16.734 0.505 -8.760 1.00 0.00 H new ATOM 829 N ARG B 133 -19.266 1.327 -6.411 1.00 0.00 N ATOM 830 CA ARG B 133 -19.379 2.443 -5.434 1.00 0.00 C ATOM 831 C ARG B 133 -18.219 2.355 -4.441 1.00 0.00 C ATOM 832 O ARG B 133 -17.996 1.332 -3.824 1.00 0.00 O ATOM 833 CB ARG B 133 -20.707 2.327 -4.683 1.00 0.00 C ATOM 834 CG ARG B 133 -20.934 3.584 -3.843 1.00 0.00 C ATOM 835 CD ARG B 133 -20.964 3.211 -2.360 1.00 0.00 C ATOM 836 NE ARG B 133 -22.116 2.301 -2.102 1.00 0.00 N ATOM 837 CZ ARG B 133 -23.113 2.708 -1.366 1.00 0.00 C ATOM 838 NH1 ARG B 133 -23.087 2.527 -0.075 1.00 0.00 N ATOM 839 NH2 ARG B 133 -24.138 3.294 -1.924 1.00 0.00 N ATOM 0 H ARG B 133 -19.423 0.396 -6.025 1.00 0.00 H new ATOM 0 HA ARG B 133 -19.343 3.399 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG B 133 -21.526 2.198 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG B 133 -20.698 1.446 -4.042 1.00 0.00 H new ATOM 0 HG2 ARG B 133 -20.140 4.307 -4.031 1.00 0.00 H new ATOM 0 HG3 ARG B 133 -21.873 4.060 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG B 133 -20.031 2.724 -2.077 1.00 0.00 H new ATOM 0 HD3 ARG B 133 -21.052 4.110 -1.749 1.00 0.00 H new ATOM 0 HE ARG B 133 -22.125 1.362 -2.500 1.00 0.00 H new ATOM 0 HH11 ARG B 133 -22.287 2.067 0.359 1.00 0.00 H new ATOM 0 HH12 ARG B 133 -23.867 2.845 0.500 1.00 0.00 H new ATOM 0 HH21 ARG B 133 -24.158 3.433 -2.934 1.00 0.00 H new ATOM 0 HH22 ARG B 133 -24.918 3.613 -1.350 1.00 0.00 H new ATOM 853 N SER B 134 -17.474 3.414 -4.286 1.00 0.00 N ATOM 854 CA SER B 134 -16.325 3.385 -3.338 1.00 0.00 C ATOM 855 C SER B 134 -16.840 3.414 -1.898 1.00 0.00 C ATOM 856 O SER B 134 -17.421 4.385 -1.456 1.00 0.00 O ATOM 857 CB SER B 134 -15.434 4.603 -3.585 1.00 0.00 C ATOM 858 OG SER B 134 -14.461 4.690 -2.552 1.00 0.00 O ATOM 0 H SER B 134 -17.611 4.299 -4.775 1.00 0.00 H new ATOM 0 HA SER B 134 -15.751 2.472 -3.495 1.00 0.00 H new ATOM 0 HB2 SER B 134 -14.945 4.519 -4.555 1.00 0.00 H new ATOM 0 HB3 SER B 134 -16.037 5.510 -3.610 1.00 0.00 H new ATOM 0 HG SER B 134 -14.059 5.584 -2.556 1.00 0.00 H new ATOM 864 N LEU B 135 -16.627 2.357 -1.163 1.00 0.00 N ATOM 865 CA LEU B 135 -17.097 2.323 0.251 1.00 0.00 C ATOM 866 C LEU B 135 -16.130 3.118 1.130 1.00 0.00 C ATOM 867 O LEU B 135 -16.383 3.351 2.295 1.00 0.00 O ATOM 868 CB LEU B 135 -17.150 0.871 0.735 1.00 0.00 C ATOM 869 CG LEU B 135 -18.458 0.225 0.275 1.00 0.00 C ATOM 870 CD1 LEU B 135 -18.432 -1.271 0.597 1.00 0.00 C ATOM 871 CD2 LEU B 135 -19.630 0.882 1.005 1.00 0.00 C ATOM 0 H LEU B 135 -16.147 1.515 -1.481 1.00 0.00 H new ATOM 0 HA LEU B 135 -18.091 2.765 0.314 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -16.299 0.314 0.341 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -17.078 0.836 1.822 1.00 0.00 H new ATOM 0 HG LEU B 135 -18.573 0.361 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -19.365 -1.730 0.269 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -17.595 -1.740 0.080 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -18.318 -1.410 1.672 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -20.564 0.424 0.680 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -19.513 0.743 2.080 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -19.650 1.948 0.777 1.00 0.00 H new ATOM 883 N THR B 136 -15.021 3.538 0.583 1.00 0.00 N ATOM 884 CA THR B 136 -14.041 4.317 1.391 1.00 0.00 C ATOM 885 C THR B 136 -14.380 5.806 1.307 1.00 0.00 C ATOM 886 O THR B 136 -14.770 6.420 2.282 1.00 0.00 O ATOM 887 CB THR B 136 -12.630 4.084 0.845 1.00 0.00 C ATOM 888 OG1 THR B 136 -12.289 2.712 0.991 1.00 0.00 O ATOM 889 CG2 THR B 136 -11.628 4.944 1.619 1.00 0.00 C ATOM 0 H THR B 136 -14.752 3.375 -0.387 1.00 0.00 H new ATOM 0 HA THR B 136 -14.087 3.992 2.430 1.00 0.00 H new ATOM 0 HB THR B 136 -12.600 4.359 -0.209 1.00 0.00 H new ATOM 0 HG1 THR B 136 -11.797 2.411 0.199 1.00 0.00 H new ATOM 0 HG21 THR B 136 -10.625 4.775 1.227 1.00 0.00 H new ATOM 0 HG22 THR B 136 -11.889 5.996 1.507 1.00 0.00 H new ATOM 0 HG23 THR B 136 -11.656 4.674 2.675 1.00 0.00 H new ATOM 897 N THR B 137 -14.235 6.394 0.152 1.00 0.00 N ATOM 898 CA THR B 137 -14.549 7.843 0.007 1.00 0.00 C ATOM 899 C THR B 137 -16.027 8.013 -0.352 1.00 0.00 C ATOM 900 O THR B 137 -16.649 8.999 -0.013 1.00 0.00 O ATOM 901 CB THR B 137 -13.684 8.443 -1.105 1.00 0.00 C ATOM 902 OG1 THR B 137 -13.374 7.435 -2.057 1.00 0.00 O ATOM 903 CG2 THR B 137 -12.391 8.996 -0.506 1.00 0.00 C ATOM 0 H THR B 137 -13.912 5.933 -0.699 1.00 0.00 H new ATOM 0 HA THR B 137 -14.342 8.354 0.947 1.00 0.00 H new ATOM 0 HB THR B 137 -14.229 9.250 -1.594 1.00 0.00 H new ATOM 0 HG1 THR B 137 -12.822 7.818 -2.770 1.00 0.00 H new ATOM 0 HG21 THR B 137 -11.776 9.423 -1.299 1.00 0.00 H new ATOM 0 HG22 THR B 137 -12.630 9.769 0.224 1.00 0.00 H new ATOM 0 HG23 THR B 137 -11.844 8.191 -0.016 1.00 0.00 H new ATOM 911 N GLY B 138 -16.591 7.061 -1.042 1.00 0.00 N ATOM 912 CA GLY B 138 -18.027 7.170 -1.427 1.00 0.00 C ATOM 913 C GLY B 138 -18.126 7.575 -2.899 1.00 0.00 C ATOM 914 O GLY B 138 -19.195 7.594 -3.477 1.00 0.00 O ATOM 0 H GLY B 138 -16.120 6.212 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY B 138 -18.532 6.218 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY B 138 -18.529 7.908 -0.800 1.00 0.00 H new ATOM 918 N GLU B 139 -17.020 7.903 -3.509 1.00 0.00 N ATOM 919 CA GLU B 139 -17.050 8.309 -4.942 1.00 0.00 C ATOM 920 C GLU B 139 -17.543 7.140 -5.799 1.00 0.00 C ATOM 921 O GLU B 139 -16.907 6.107 -5.880 1.00 0.00 O ATOM 922 CB GLU B 139 -15.641 8.705 -5.388 1.00 0.00 C ATOM 923 CG GLU B 139 -15.457 10.216 -5.231 1.00 0.00 C ATOM 924 CD GLU B 139 -13.965 10.540 -5.120 1.00 0.00 C ATOM 925 OE1 GLU B 139 -13.167 9.692 -5.487 1.00 0.00 O ATOM 926 OE2 GLU B 139 -13.647 11.628 -4.671 1.00 0.00 O ATOM 0 H GLU B 139 -16.096 7.907 -3.076 1.00 0.00 H new ATOM 0 HA GLU B 139 -17.725 9.156 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU B 139 -14.898 8.174 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -15.483 8.415 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -15.890 10.736 -6.085 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -15.983 10.567 -4.343 1.00 0.00 H new ATOM 933 N THR B 140 -18.665 7.298 -6.448 1.00 0.00 N ATOM 934 CA THR B 140 -19.192 6.201 -7.310 1.00 0.00 C ATOM 935 C THR B 140 -18.818 6.491 -8.763 1.00 0.00 C ATOM 936 O THR B 140 -18.922 7.611 -9.224 1.00 0.00 O ATOM 937 CB THR B 140 -20.716 6.135 -7.176 1.00 0.00 C ATOM 938 OG1 THR B 140 -21.055 5.734 -5.857 1.00 0.00 O ATOM 939 CG2 THR B 140 -21.279 5.123 -8.176 1.00 0.00 C ATOM 0 H THR B 140 -19.240 8.140 -6.418 1.00 0.00 H new ATOM 0 HA THR B 140 -18.763 5.248 -7.002 1.00 0.00 H new ATOM 0 HB THR B 140 -21.140 7.118 -7.381 1.00 0.00 H new ATOM 0 HG1 THR B 140 -22.030 5.693 -5.768 1.00 0.00 H new ATOM 0 HG21 THR B 140 -22.364 5.079 -8.077 1.00 0.00 H new ATOM 0 HG22 THR B 140 -21.019 5.429 -9.189 1.00 0.00 H new ATOM 0 HG23 THR B 140 -20.856 4.139 -7.975 1.00 0.00 H new ATOM 947 N GLY B 141 -18.374 5.503 -9.493 1.00 0.00 N ATOM 948 CA GLY B 141 -17.991 5.757 -10.911 1.00 0.00 C ATOM 949 C GLY B 141 -17.928 4.443 -11.689 1.00 0.00 C ATOM 950 O GLY B 141 -18.588 3.477 -11.360 1.00 0.00 O ATOM 0 H GLY B 141 -18.261 4.541 -9.173 1.00 0.00 H new ATOM 0 HA2 GLY B 141 -18.714 6.428 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY B 141 -17.023 6.256 -10.949 1.00 0.00 H new ATOM 954 N TYR B 142 -17.140 4.407 -12.731 1.00 0.00 N ATOM 955 CA TYR B 142 -17.034 3.166 -13.548 1.00 0.00 C ATOM 956 C TYR B 142 -15.580 2.688 -13.581 1.00 0.00 C ATOM 957 O TYR B 142 -14.670 3.456 -13.820 1.00 0.00 O ATOM 958 CB TYR B 142 -17.489 3.460 -14.980 1.00 0.00 C ATOM 959 CG TYR B 142 -18.951 3.835 -14.990 1.00 0.00 C ATOM 960 CD1 TYR B 142 -19.390 4.971 -14.300 1.00 0.00 C ATOM 961 CD2 TYR B 142 -19.868 3.048 -15.698 1.00 0.00 C ATOM 962 CE1 TYR B 142 -20.746 5.320 -14.315 1.00 0.00 C ATOM 963 CE2 TYR B 142 -21.225 3.397 -15.713 1.00 0.00 C ATOM 964 CZ TYR B 142 -21.663 4.533 -15.021 1.00 0.00 C ATOM 965 OH TYR B 142 -23.000 4.878 -15.038 1.00 0.00 O ATOM 0 H TYR B 142 -16.565 5.186 -13.051 1.00 0.00 H new ATOM 0 HA TYR B 142 -17.664 2.394 -13.106 1.00 0.00 H new ATOM 0 HB2 TYR B 142 -16.894 4.271 -15.400 1.00 0.00 H new ATOM 0 HB3 TYR B 142 -17.325 2.585 -15.609 1.00 0.00 H new ATOM 0 HD1 TYR B 142 -18.682 5.579 -13.756 1.00 0.00 H new ATOM 0 HD2 TYR B 142 -19.529 2.173 -16.232 1.00 0.00 H new ATOM 0 HE1 TYR B 142 -21.084 6.196 -13.782 1.00 0.00 H new ATOM 0 HE2 TYR B 142 -21.933 2.790 -16.258 1.00 0.00 H new ATOM 0 HH TYR B 142 -23.499 4.227 -15.575 1.00 0.00 H new ATOM 975 N ILE B 143 -15.357 1.421 -13.364 1.00 0.00 N ATOM 976 CA ILE B 143 -13.965 0.889 -13.404 1.00 0.00 C ATOM 977 C ILE B 143 -13.942 -0.373 -14.267 1.00 0.00 C ATOM 978 O ILE B 143 -14.966 -0.990 -14.484 1.00 0.00 O ATOM 979 CB ILE B 143 -13.494 0.532 -11.992 1.00 0.00 C ATOM 980 CG1 ILE B 143 -14.415 -0.540 -11.404 1.00 0.00 C ATOM 981 CG2 ILE B 143 -13.530 1.776 -11.102 1.00 0.00 C ATOM 982 CD1 ILE B 143 -13.622 -1.828 -11.179 1.00 0.00 C ATOM 0 H ILE B 143 -16.079 0.730 -13.160 1.00 0.00 H new ATOM 0 HA ILE B 143 -13.304 1.649 -13.821 1.00 0.00 H new ATOM 0 HB ILE B 143 -12.473 0.153 -12.039 1.00 0.00 H new ATOM 0 HG12 ILE B 143 -14.839 -0.193 -10.462 1.00 0.00 H new ATOM 0 HG13 ILE B 143 -15.249 -0.728 -12.080 1.00 0.00 H new ATOM 0 HG21 ILE B 143 -13.194 1.515 -10.098 1.00 0.00 H new ATOM 0 HG22 ILE B 143 -12.873 2.540 -11.518 1.00 0.00 H new ATOM 0 HG23 ILE B 143 -14.549 2.160 -11.055 1.00 0.00 H new ATOM 0 HD11 ILE B 143 -14.278 -2.591 -10.760 1.00 0.00 H new ATOM 0 HD12 ILE B 143 -13.219 -2.178 -12.129 1.00 0.00 H new ATOM 0 HD13 ILE B 143 -12.803 -1.635 -10.487 1.00 0.00 H new ATOM 994 N PRO B 144 -12.771 -0.729 -14.725 1.00 0.00 N ATOM 995 CA PRO B 144 -12.589 -1.929 -15.556 1.00 0.00 C ATOM 996 C PRO B 144 -13.142 -3.152 -14.820 1.00 0.00 C ATOM 997 O PRO B 144 -12.803 -3.407 -13.683 1.00 0.00 O ATOM 998 CB PRO B 144 -11.071 -2.048 -15.742 1.00 0.00 C ATOM 999 CG PRO B 144 -10.415 -0.868 -14.974 1.00 0.00 C ATOM 1000 CD PRO B 144 -11.539 0.029 -14.451 1.00 0.00 C ATOM 0 HA PRO B 144 -13.110 -1.866 -16.511 1.00 0.00 H new ATOM 0 HB2 PRO B 144 -10.711 -3.003 -15.359 1.00 0.00 H new ATOM 0 HB3 PRO B 144 -10.810 -2.010 -16.800 1.00 0.00 H new ATOM 0 HG2 PRO B 144 -9.807 -1.239 -14.149 1.00 0.00 H new ATOM 0 HG3 PRO B 144 -9.751 -0.306 -15.631 1.00 0.00 H new ATOM 0 HD2 PRO B 144 -11.424 0.229 -13.386 1.00 0.00 H new ATOM 0 HD3 PRO B 144 -11.545 0.994 -14.958 1.00 0.00 H new ATOM 1008 N SER B 145 -13.995 -3.903 -15.455 1.00 0.00 N ATOM 1009 CA SER B 145 -14.568 -5.099 -14.785 1.00 0.00 C ATOM 1010 C SER B 145 -13.465 -6.133 -14.551 1.00 0.00 C ATOM 1011 O SER B 145 -13.480 -6.862 -13.579 1.00 0.00 O ATOM 1012 CB SER B 145 -15.654 -5.695 -15.678 1.00 0.00 C ATOM 1013 OG SER B 145 -15.184 -5.747 -17.018 1.00 0.00 O ATOM 0 H SER B 145 -14.320 -3.740 -16.408 1.00 0.00 H new ATOM 0 HA SER B 145 -14.998 -4.815 -13.825 1.00 0.00 H new ATOM 0 HB2 SER B 145 -15.916 -6.695 -15.333 1.00 0.00 H new ATOM 0 HB3 SER B 145 -16.560 -5.091 -15.621 1.00 0.00 H new ATOM 0 HG SER B 145 -15.723 -5.150 -17.577 1.00 0.00 H new ATOM 1019 N ASN B 146 -12.501 -6.200 -15.430 1.00 0.00 N ATOM 1020 CA ASN B 146 -11.402 -7.189 -15.247 1.00 0.00 C ATOM 1021 C ASN B 146 -10.427 -6.678 -14.183 1.00 0.00 C ATOM 1022 O ASN B 146 -9.443 -7.317 -13.871 1.00 0.00 O ATOM 1023 CB ASN B 146 -10.666 -7.389 -16.577 1.00 0.00 C ATOM 1024 CG ASN B 146 -9.725 -6.210 -16.838 1.00 0.00 C ATOM 1025 OD1 ASN B 146 -10.075 -5.072 -16.598 1.00 0.00 O ATOM 1026 ND2 ASN B 146 -8.534 -6.439 -17.322 1.00 0.00 N ATOM 0 H ASN B 146 -12.428 -5.615 -16.263 1.00 0.00 H new ATOM 0 HA ASN B 146 -11.819 -8.142 -14.922 1.00 0.00 H new ATOM 0 HB2 ASN B 146 -10.098 -8.319 -16.551 1.00 0.00 H new ATOM 0 HB3 ASN B 146 -11.386 -7.477 -17.391 1.00 0.00 H new ATOM 0 HD21 ASN B 146 -7.897 -5.662 -17.499 1.00 0.00 H new ATOM 0 HD22 ASN B 146 -8.240 -7.395 -17.523 1.00 0.00 H new ATOM 1033 N TYR B 147 -10.696 -5.529 -13.624 1.00 0.00 N ATOM 1034 CA TYR B 147 -9.789 -4.976 -12.583 1.00 0.00 C ATOM 1035 C TYR B 147 -10.349 -5.291 -11.194 1.00 0.00 C ATOM 1036 O TYR B 147 -9.792 -4.897 -10.188 1.00 0.00 O ATOM 1037 CB TYR B 147 -9.687 -3.458 -12.757 1.00 0.00 C ATOM 1038 CG TYR B 147 -8.422 -3.116 -13.506 1.00 0.00 C ATOM 1039 CD1 TYR B 147 -7.980 -3.939 -14.548 1.00 0.00 C ATOM 1040 CD2 TYR B 147 -7.692 -1.973 -13.159 1.00 0.00 C ATOM 1041 CE1 TYR B 147 -6.807 -3.619 -15.244 1.00 0.00 C ATOM 1042 CE2 TYR B 147 -6.519 -1.653 -13.853 1.00 0.00 C ATOM 1043 CZ TYR B 147 -6.077 -2.476 -14.895 1.00 0.00 C ATOM 1044 OH TYR B 147 -4.922 -2.161 -15.581 1.00 0.00 O ATOM 0 H TYR B 147 -11.506 -4.950 -13.845 1.00 0.00 H new ATOM 0 HA TYR B 147 -8.801 -5.425 -12.685 1.00 0.00 H new ATOM 0 HB2 TYR B 147 -10.555 -3.085 -13.301 1.00 0.00 H new ATOM 0 HB3 TYR B 147 -9.688 -2.970 -11.783 1.00 0.00 H new ATOM 0 HD1 TYR B 147 -8.543 -4.821 -14.816 1.00 0.00 H new ATOM 0 HD2 TYR B 147 -8.034 -1.338 -12.355 1.00 0.00 H new ATOM 0 HE1 TYR B 147 -6.466 -4.253 -16.049 1.00 0.00 H new ATOM 0 HE2 TYR B 147 -5.956 -0.772 -13.584 1.00 0.00 H new ATOM 0 HH TYR B 147 -4.538 -1.337 -15.214 1.00 0.00 H new ATOM 1054 N VAL B 148 -11.449 -5.994 -11.126 1.00 0.00 N ATOM 1055 CA VAL B 148 -12.035 -6.322 -9.795 1.00 0.00 C ATOM 1056 C VAL B 148 -12.297 -7.827 -9.702 1.00 0.00 C ATOM 1057 O VAL B 148 -12.526 -8.491 -10.694 1.00 0.00 O ATOM 1058 CB VAL B 148 -13.350 -5.562 -9.614 1.00 0.00 C ATOM 1059 CG1 VAL B 148 -13.054 -4.084 -9.350 1.00 0.00 C ATOM 1060 CG2 VAL B 148 -14.194 -5.692 -10.885 1.00 0.00 C ATOM 0 H VAL B 148 -11.964 -6.353 -11.930 1.00 0.00 H new ATOM 0 HA VAL B 148 -11.335 -6.030 -9.012 1.00 0.00 H new ATOM 0 HB VAL B 148 -13.897 -5.980 -8.769 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -13.991 -3.543 -9.221 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -12.453 -3.989 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -12.507 -3.666 -10.195 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -15.131 -5.151 -10.756 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -13.646 -5.274 -11.730 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -14.406 -6.744 -11.075 1.00 0.00 H new ATOM 1070 N ALA B 149 -12.264 -8.369 -8.515 1.00 0.00 N ATOM 1071 CA ALA B 149 -12.510 -9.829 -8.352 1.00 0.00 C ATOM 1072 C ALA B 149 -13.291 -10.069 -7.053 1.00 0.00 C ATOM 1073 O ALA B 149 -13.063 -9.398 -6.067 1.00 0.00 O ATOM 1074 CB ALA B 149 -11.170 -10.567 -8.282 1.00 0.00 C ATOM 0 H ALA B 149 -12.077 -7.862 -7.650 1.00 0.00 H new ATOM 0 HA ALA B 149 -13.086 -10.199 -9.200 1.00 0.00 H new ATOM 0 HB1 ALA B 149 -11.349 -11.636 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA B 149 -10.610 -10.393 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA B 149 -10.595 -10.198 -7.432 1.00 0.00 H new ATOM 1080 N PRO B 150 -14.192 -11.019 -7.092 1.00 0.00 N ATOM 1081 CA PRO B 150 -15.019 -11.362 -5.921 1.00 0.00 C ATOM 1082 C PRO B 150 -14.128 -11.822 -4.765 1.00 0.00 C ATOM 1083 O PRO B 150 -13.303 -12.701 -4.917 1.00 0.00 O ATOM 1084 CB PRO B 150 -15.923 -12.507 -6.399 1.00 0.00 C ATOM 1085 CG PRO B 150 -15.570 -12.799 -7.881 1.00 0.00 C ATOM 1086 CD PRO B 150 -14.458 -11.824 -8.297 1.00 0.00 C ATOM 0 HA PRO B 150 -15.597 -10.513 -5.556 1.00 0.00 H new ATOM 0 HB2 PRO B 150 -15.770 -13.396 -5.787 1.00 0.00 H new ATOM 0 HB3 PRO B 150 -16.973 -12.231 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO B 150 -15.238 -13.831 -7.999 1.00 0.00 H new ATOM 0 HG3 PRO B 150 -16.447 -12.672 -8.515 1.00 0.00 H new ATOM 0 HD2 PRO B 150 -13.565 -12.358 -8.621 1.00 0.00 H new ATOM 0 HD3 PRO B 150 -14.774 -11.196 -9.130 1.00 0.00 H new ATOM 1094 N VAL B 151 -14.287 -11.235 -3.610 1.00 0.00 N ATOM 1095 CA VAL B 151 -13.449 -11.640 -2.449 1.00 0.00 C ATOM 1096 C VAL B 151 -13.458 -13.166 -2.320 1.00 0.00 C ATOM 1097 O VAL B 151 -14.538 -13.734 -2.316 1.00 0.00 O ATOM 1098 CB VAL B 151 -14.011 -11.015 -1.172 1.00 0.00 C ATOM 1099 CG1 VAL B 151 -13.248 -11.553 0.038 1.00 0.00 C ATOM 1100 CG2 VAL B 151 -13.851 -9.494 -1.239 1.00 0.00 C ATOM 0 H VAL B 151 -14.961 -10.493 -3.422 1.00 0.00 H new ATOM 0 HA VAL B 151 -12.426 -11.296 -2.601 1.00 0.00 H new ATOM 0 HB VAL B 151 -15.067 -11.268 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL B 151 -13.649 -11.107 0.948 1.00 0.00 H new ATOM 0 HG12 VAL B 151 -13.358 -12.636 0.085 1.00 0.00 H new ATOM 0 HG13 VAL B 151 -12.192 -11.300 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL B 151 -14.251 -9.046 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL B 151 -12.794 -9.243 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL B 151 -14.394 -9.109 -2.102 1.00 0.00 H new