USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 575 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 61 SER OG : rot 180:sc= 0.049 USER MOD Set 1.2: A 68 ASN :FLIP amide:sc= -0.676 F(o=-3.6,f=-1.6) USER MOD Set 1.3: A 93 TYR OH : rot 125:sc= -0.982 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 9 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-0.85) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 28 TYR OH : rot -93:sc= 1.05 USER MOD Single : A 32 MET CE :methyl 157:sc= -0.083 (180deg=-0.579) USER MOD Single : A 44 THR OG1 : rot -60:sc= -0.163 USER MOD Single : A 48 MET CE :methyl -149:sc= -0.0753 (180deg=-0.513) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -157:sc= 0.697 USER MOD Single : A 65 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 120:sc= -1.16 USER MOD Single : A 85 GLN : amide:sc= -0.0681 K(o=-0.068,f=-1.7!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.489) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -25.677 22.175 11.913 1.00 0.00 N ATOM 67 CA HIS A 6 -25.195 23.113 12.920 1.00 0.00 C ATOM 68 C HIS A 6 -24.425 24.261 12.276 1.00 0.00 C ATOM 69 O HIS A 6 -24.992 25.317 11.992 1.00 0.00 O ATOM 70 CB HIS A 6 -24.306 22.390 13.936 1.00 0.00 C ATOM 71 CG HIS A 6 -24.939 22.236 15.284 1.00 0.00 C ATOM 72 ND1 HIS A 6 -24.726 23.154 16.284 1.00 0.00 N ATOM 73 CD2 HIS A 6 -25.769 21.266 15.740 1.00 0.00 C ATOM 74 CE1 HIS A 6 -25.421 22.726 17.323 1.00 0.00 C ATOM 75 NE2 HIS A 6 -26.069 21.586 17.039 1.00 0.00 N ATOM 0 HA HIS A 6 -26.061 23.529 13.435 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.053 21.403 13.548 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.371 22.939 14.044 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -26.125 20.409 15.188 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -25.462 23.229 18.278 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -26.671 21.057 17.670 1.00 0.00 H new ATOM 83 N HIS A 7 -23.129 24.053 12.056 1.00 0.00 N ATOM 84 CA HIS A 7 -22.282 25.073 11.450 1.00 0.00 C ATOM 85 C HIS A 7 -21.300 24.450 10.463 1.00 0.00 C ATOM 86 O HIS A 7 -21.473 23.306 10.039 1.00 0.00 O ATOM 87 CB HIS A 7 -21.518 25.837 12.535 1.00 0.00 C ATOM 88 CG HIS A 7 -22.367 26.802 13.301 1.00 0.00 C ATOM 89 ND1 HIS A 7 -22.666 26.595 14.627 1.00 0.00 N ATOM 90 CD2 HIS A 7 -22.948 27.956 12.891 1.00 0.00 C ATOM 91 CE1 HIS A 7 -23.418 27.617 14.992 1.00 0.00 C ATOM 92 NE2 HIS A 7 -23.615 28.466 13.973 1.00 0.00 N ATOM 0 H HIS A 7 -22.644 23.187 12.289 1.00 0.00 H new ATOM 0 HA HIS A 7 -22.922 25.767 10.906 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -21.079 25.121 13.230 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -20.693 26.380 12.073 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -22.895 28.389 11.903 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -23.823 27.752 15.984 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -24.159 29.329 13.999 1.00 0.00 H new ATOM 100 N HIS A 8 -20.265 25.206 10.105 1.00 0.00 N ATOM 101 CA HIS A 8 -19.253 24.726 9.171 1.00 0.00 C ATOM 102 C HIS A 8 -18.331 23.711 9.841 1.00 0.00 C ATOM 103 O HIS A 8 -18.597 23.256 10.954 1.00 0.00 O ATOM 104 CB HIS A 8 -18.431 25.899 8.630 1.00 0.00 C ATOM 105 CG HIS A 8 -19.263 26.971 7.998 1.00 0.00 C ATOM 106 ND1 HIS A 8 -19.699 28.058 8.716 1.00 0.00 N ATOM 107 CD2 HIS A 8 -19.704 27.078 6.720 1.00 0.00 C ATOM 108 CE1 HIS A 8 -20.394 28.797 7.869 1.00 0.00 C ATOM 109 NE2 HIS A 8 -20.422 28.242 6.649 1.00 0.00 N ATOM 0 H HIS A 8 -20.106 26.153 10.448 1.00 0.00 H new ATOM 0 HA HIS A 8 -19.763 24.235 8.342 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -17.852 26.333 9.445 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -17.717 25.524 7.896 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -19.524 26.381 5.915 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -20.877 29.728 8.126 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -20.890 28.616 5.823 1.00 0.00 H new ATOM 117 N HIS A 9 -17.245 23.362 9.156 1.00 0.00 N ATOM 118 CA HIS A 9 -16.283 22.400 9.683 1.00 0.00 C ATOM 119 C HIS A 9 -14.854 22.906 9.514 1.00 0.00 C ATOM 120 O HIS A 9 -13.898 22.134 9.593 1.00 0.00 O ATOM 121 CB HIS A 9 -16.444 21.050 8.978 1.00 0.00 C ATOM 122 CG HIS A 9 -16.532 21.160 7.487 1.00 0.00 C ATOM 123 ND1 HIS A 9 -15.509 21.701 6.746 1.00 0.00 N ATOM 124 CD2 HIS A 9 -17.534 20.786 6.654 1.00 0.00 C ATOM 125 CE1 HIS A 9 -15.906 21.646 5.486 1.00 0.00 C ATOM 126 NE2 HIS A 9 -17.126 21.100 5.384 1.00 0.00 N ATOM 0 H HIS A 9 -17.010 23.731 8.235 1.00 0.00 H new ATOM 0 HA HIS A 9 -16.480 22.275 10.748 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -15.600 20.411 9.238 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -17.343 20.559 9.352 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.471 20.330 6.936 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.323 21.996 4.647 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.652 20.947 4.523 1.00 0.00 H new ATOM 134 N HIS A 10 -14.717 24.208 9.281 1.00 0.00 N ATOM 135 CA HIS A 10 -13.406 24.819 9.099 1.00 0.00 C ATOM 136 C HIS A 10 -12.650 24.893 10.422 1.00 0.00 C ATOM 137 O HIS A 10 -13.094 25.548 11.366 1.00 0.00 O ATOM 138 CB HIS A 10 -13.554 26.221 8.505 1.00 0.00 C ATOM 139 CG HIS A 10 -13.151 26.309 7.065 1.00 0.00 C ATOM 140 ND1 HIS A 10 -11.833 26.228 6.683 1.00 0.00 N ATOM 141 CD2 HIS A 10 -13.923 26.472 5.963 1.00 0.00 C ATOM 142 CE1 HIS A 10 -11.830 26.342 5.366 1.00 0.00 C ATOM 143 NE2 HIS A 10 -13.074 26.493 4.888 1.00 0.00 N ATOM 0 H HIS A 10 -15.499 24.860 9.214 1.00 0.00 H new ATOM 0 HA HIS A 10 -12.835 24.196 8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -14.592 26.540 8.603 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -12.950 26.918 9.086 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -14.999 26.567 5.937 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.941 26.317 4.754 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -13.338 26.603 3.909 1.00 0.00 H new ATOM 151 N SER A 11 -11.509 24.213 10.487 1.00 0.00 N ATOM 152 CA SER A 11 -10.693 24.197 11.696 1.00 0.00 C ATOM 153 C SER A 11 -9.275 24.674 11.405 1.00 0.00 C ATOM 154 O SER A 11 -8.949 25.032 10.273 1.00 0.00 O ATOM 155 CB SER A 11 -10.657 22.788 12.289 1.00 0.00 C ATOM 156 OG SER A 11 -10.488 22.829 13.695 1.00 0.00 O ATOM 0 H SER A 11 -11.128 23.665 9.715 1.00 0.00 H new ATOM 0 HA SER A 11 -11.143 24.879 12.417 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.582 22.264 12.046 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.842 22.221 11.838 1.00 0.00 H new ATOM 0 HG SER A 11 -10.470 21.915 14.049 1.00 0.00 H new ATOM 162 N SER A 12 -8.432 24.677 12.435 1.00 0.00 N ATOM 163 CA SER A 12 -7.047 25.109 12.289 1.00 0.00 C ATOM 164 C SER A 12 -6.200 24.014 11.647 1.00 0.00 C ATOM 165 O SER A 12 -6.511 22.829 11.762 1.00 0.00 O ATOM 166 CB SER A 12 -6.462 25.489 13.651 1.00 0.00 C ATOM 167 OG SER A 12 -5.069 25.231 13.701 1.00 0.00 O ATOM 0 H SER A 12 -8.685 24.385 13.379 1.00 0.00 H new ATOM 0 HA SER A 12 -7.033 25.983 11.638 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.646 26.545 13.847 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.967 24.927 14.436 1.00 0.00 H new ATOM 0 HG SER A 12 -4.721 25.484 14.581 1.00 0.00 H new ATOM 173 N GLY A 13 -5.129 24.420 10.971 1.00 0.00 N ATOM 174 CA GLY A 13 -4.254 23.462 10.321 1.00 0.00 C ATOM 175 C GLY A 13 -3.401 22.692 11.311 1.00 0.00 C ATOM 176 O GLY A 13 -2.915 23.255 12.291 1.00 0.00 O ATOM 0 H GLY A 13 -4.852 25.396 10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.854 22.761 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.606 23.985 9.617 1.00 0.00 H new ATOM 390 N ASP A 27 1.149 3.761 -3.884 1.00 0.00 N ATOM 391 CA ASP A 27 0.237 3.264 -4.908 1.00 0.00 C ATOM 392 C ASP A 27 -0.851 2.385 -4.302 1.00 0.00 C ATOM 393 O ASP A 27 -2.013 2.789 -4.233 1.00 0.00 O ATOM 394 CB ASP A 27 1.004 2.482 -5.977 1.00 0.00 C ATOM 395 CG ASP A 27 0.507 2.781 -7.377 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.723 2.735 -7.594 1.00 0.00 O ATOM 397 OD2 ASP A 27 1.346 3.063 -8.259 1.00 0.00 O ATOM 0 HA ASP A 27 -0.240 4.127 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.064 2.725 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.909 1.414 -5.781 1.00 0.00 H new ATOM 402 N TYR A 28 -0.485 1.175 -3.876 1.00 0.00 N ATOM 403 CA TYR A 28 -1.464 0.255 -3.301 1.00 0.00 C ATOM 404 C TYR A 28 -0.945 -0.390 -2.020 1.00 0.00 C ATOM 405 O TYR A 28 0.255 -0.378 -1.750 1.00 0.00 O ATOM 406 CB TYR A 28 -1.837 -0.821 -4.321 1.00 0.00 C ATOM 407 CG TYR A 28 -2.497 -0.269 -5.565 1.00 0.00 C ATOM 408 CD1 TYR A 28 -3.728 0.370 -5.496 1.00 0.00 C ATOM 409 CD2 TYR A 28 -1.887 -0.384 -6.808 1.00 0.00 C ATOM 410 CE1 TYR A 28 -4.334 0.877 -6.629 1.00 0.00 C ATOM 411 CE2 TYR A 28 -2.486 0.119 -7.947 1.00 0.00 C ATOM 412 CZ TYR A 28 -3.709 0.749 -7.852 1.00 0.00 C ATOM 413 OH TYR A 28 -4.310 1.251 -8.983 1.00 0.00 O ATOM 0 H TYR A 28 0.468 0.814 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.353 0.832 -3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.938 -1.366 -4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.509 -1.539 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.220 0.472 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.928 -0.875 -6.885 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.292 1.371 -6.558 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.999 0.019 -8.906 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.846 0.549 -9.408 1.00 0.00 H new ATOM 423 N ARG A 29 -1.864 -0.920 -1.214 1.00 0.00 N ATOM 424 CA ARG A 29 -1.498 -1.560 0.044 1.00 0.00 C ATOM 425 C ARG A 29 -2.237 -2.883 0.245 1.00 0.00 C ATOM 426 O ARG A 29 -3.402 -3.022 -0.131 1.00 0.00 O ATOM 427 CB ARG A 29 -1.784 -0.618 1.218 1.00 0.00 C ATOM 428 CG ARG A 29 -3.264 -0.454 1.528 1.00 0.00 C ATOM 429 CD ARG A 29 -3.795 0.883 1.033 1.00 0.00 C ATOM 430 NE ARG A 29 -3.622 1.943 2.022 1.00 0.00 N ATOM 431 CZ ARG A 29 -4.566 2.313 2.881 1.00 0.00 C ATOM 432 NH1 ARG A 29 -5.747 1.709 2.876 1.00 0.00 N ATOM 433 NH2 ARG A 29 -4.331 3.289 3.748 1.00 0.00 N ATOM 0 H ARG A 29 -2.865 -0.918 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.431 -1.778 0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.276 -0.995 2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.358 0.361 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.826 -1.264 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.422 -0.533 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.280 1.159 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.853 0.785 0.789 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.725 2.427 2.056 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.933 0.958 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.469 1.996 3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.425 3.757 3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.057 3.572 4.407 1.00 0.00 H new ATOM 447 N LEU A 30 -1.551 -3.844 0.858 1.00 0.00 N ATOM 448 CA LEU A 30 -2.134 -5.146 1.169 1.00 0.00 C ATOM 449 C LEU A 30 -1.782 -5.533 2.604 1.00 0.00 C ATOM 450 O LEU A 30 -0.830 -6.277 2.840 1.00 0.00 O ATOM 451 CB LEU A 30 -1.627 -6.213 0.187 1.00 0.00 C ATOM 452 CG LEU A 30 -2.550 -7.424 -0.020 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.491 -8.356 1.183 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.981 -6.976 -0.282 1.00 0.00 C ATOM 0 H LEU A 30 -0.580 -3.743 1.152 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.218 -5.083 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.459 -5.739 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.660 -6.573 0.538 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.200 -7.971 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.151 -9.207 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.469 -8.711 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.810 -7.818 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.616 -7.851 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.344 -6.400 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.010 -6.356 -1.178 1.00 0.00 H new ATOM 466 N ASP A 31 -2.537 -4.999 3.562 1.00 0.00 N ATOM 467 CA ASP A 31 -2.263 -5.240 4.974 1.00 0.00 C ATOM 468 C ASP A 31 -3.230 -6.256 5.576 1.00 0.00 C ATOM 469 O ASP A 31 -4.055 -5.918 6.426 1.00 0.00 O ATOM 470 CB ASP A 31 -2.344 -3.926 5.754 1.00 0.00 C ATOM 471 CG ASP A 31 -3.549 -3.095 5.360 1.00 0.00 C ATOM 472 OD1 ASP A 31 -3.490 -2.427 4.306 1.00 0.00 O ATOM 473 OD2 ASP A 31 -4.553 -3.115 6.103 1.00 0.00 O ATOM 0 H ASP A 31 -3.342 -4.398 3.385 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.257 -5.652 5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.388 -4.142 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.436 -3.348 5.583 1.00 0.00 H new ATOM 478 N MET A 32 -3.145 -7.495 5.104 1.00 0.00 N ATOM 479 CA MET A 32 -3.983 -8.573 5.621 1.00 0.00 C ATOM 480 C MET A 32 -3.170 -9.857 5.813 1.00 0.00 C ATOM 481 O MET A 32 -2.392 -9.981 6.761 1.00 0.00 O ATOM 482 CB MET A 32 -5.171 -8.820 4.686 1.00 0.00 C ATOM 483 CG MET A 32 -6.471 -8.213 5.186 1.00 0.00 C ATOM 484 SD MET A 32 -7.929 -9.016 4.491 1.00 0.00 S ATOM 485 CE MET A 32 -7.860 -10.608 5.311 1.00 0.00 C ATOM 0 H MET A 32 -2.504 -7.779 4.363 1.00 0.00 H new ATOM 0 HA MET A 32 -4.365 -8.270 6.596 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.941 -8.409 3.703 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.306 -9.894 4.559 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.506 -8.285 6.273 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.492 -7.152 4.935 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.855 -11.054 5.324 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.175 -11.264 4.774 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.508 -10.475 6.334 1.00 0.00 H new ATOM 495 N VAL A 33 -3.375 -10.822 4.919 1.00 0.00 N ATOM 496 CA VAL A 33 -2.649 -12.083 4.967 1.00 0.00 C ATOM 497 C VAL A 33 -2.159 -12.467 3.575 1.00 0.00 C ATOM 498 O VAL A 33 -2.724 -12.034 2.571 1.00 0.00 O ATOM 499 CB VAL A 33 -3.526 -13.225 5.522 1.00 0.00 C ATOM 500 CG1 VAL A 33 -2.658 -14.358 6.047 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.457 -12.713 6.611 1.00 0.00 C ATOM 0 H VAL A 33 -4.042 -10.751 4.150 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.800 -11.940 5.635 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.139 -13.610 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.294 -15.154 6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.040 -14.748 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.017 -13.985 6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.065 -13.536 6.987 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.867 -12.296 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.107 -11.940 6.200 1.00 0.00 H new ATOM 511 N GLY A 34 -1.118 -13.291 3.519 1.00 0.00 N ATOM 512 CA GLY A 34 -0.588 -13.726 2.238 1.00 0.00 C ATOM 513 C GLY A 34 -1.618 -14.482 1.418 1.00 0.00 C ATOM 514 O GLY A 34 -1.401 -14.761 0.238 1.00 0.00 O ATOM 0 H GLY A 34 -0.632 -13.665 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.244 -12.858 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.281 -14.363 2.404 1.00 0.00 H new ATOM 518 N GLU A 35 -2.745 -14.803 2.046 1.00 0.00 N ATOM 519 CA GLU A 35 -3.824 -15.523 1.382 1.00 0.00 C ATOM 520 C GLU A 35 -4.353 -14.733 0.181 1.00 0.00 C ATOM 521 O GLU A 35 -4.091 -13.536 0.058 1.00 0.00 O ATOM 522 CB GLU A 35 -4.956 -15.791 2.380 1.00 0.00 C ATOM 523 CG GLU A 35 -5.843 -14.582 2.642 1.00 0.00 C ATOM 524 CD GLU A 35 -6.814 -14.807 3.785 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.401 -14.653 4.953 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.987 -15.136 3.510 1.00 0.00 O ATOM 0 H GLU A 35 -2.934 -14.573 3.022 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.434 -16.472 1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.573 -16.608 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.524 -16.125 3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.217 -13.719 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.402 -14.343 1.737 1.00 0.00 H new ATOM 593 N PRO A 40 -6.099 -10.156 -3.683 1.00 0.00 N ATOM 594 CA PRO A 40 -5.308 -9.292 -2.816 1.00 0.00 C ATOM 595 C PRO A 40 -4.327 -8.419 -3.609 1.00 0.00 C ATOM 596 O PRO A 40 -4.609 -7.259 -3.910 1.00 0.00 O ATOM 597 CB PRO A 40 -4.550 -10.326 -1.981 1.00 0.00 C ATOM 598 CG PRO A 40 -4.423 -11.539 -2.869 1.00 0.00 C ATOM 599 CD PRO A 40 -5.288 -11.300 -4.090 1.00 0.00 C ATOM 0 HA PRO A 40 -5.907 -8.584 -2.243 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.570 -9.951 -1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.090 -10.564 -1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.384 -11.695 -3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.744 -12.437 -2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.690 -11.080 -4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.902 -12.168 -4.329 1.00 0.00 H new ATOM 607 N ALA A 41 -3.191 -9.011 -3.981 1.00 0.00 N ATOM 608 CA ALA A 41 -2.155 -8.323 -4.747 1.00 0.00 C ATOM 609 C ALA A 41 -2.628 -7.926 -6.142 1.00 0.00 C ATOM 610 O ALA A 41 -1.831 -7.469 -6.960 1.00 0.00 O ATOM 611 CB ALA A 41 -0.930 -9.213 -4.864 1.00 0.00 C ATOM 0 H ALA A 41 -2.965 -9.981 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.910 -7.407 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.159 -8.697 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.551 -9.443 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.200 -10.139 -5.372 1.00 0.00 H new ATOM 617 N VAL A 42 -3.914 -8.114 -6.424 1.00 0.00 N ATOM 618 CA VAL A 42 -4.457 -7.750 -7.727 1.00 0.00 C ATOM 619 C VAL A 42 -4.119 -6.298 -8.051 1.00 0.00 C ATOM 620 O VAL A 42 -4.028 -5.912 -9.216 1.00 0.00 O ATOM 621 CB VAL A 42 -5.986 -7.957 -7.787 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.729 -6.748 -7.234 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.428 -8.256 -9.212 1.00 0.00 C ATOM 0 H VAL A 42 -4.593 -8.512 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.000 -8.405 -8.468 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.234 -8.814 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.803 -6.924 -7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.441 -6.588 -6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.475 -5.865 -7.821 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.508 -8.399 -9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.158 -7.421 -9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.934 -9.162 -9.564 1.00 0.00 H new ATOM 633 N ALA A 43 -3.953 -5.498 -7.002 1.00 0.00 N ATOM 634 CA ALA A 43 -3.594 -4.094 -7.154 1.00 0.00 C ATOM 635 C ALA A 43 -2.135 -3.953 -7.569 1.00 0.00 C ATOM 636 O ALA A 43 -1.782 -3.077 -8.358 1.00 0.00 O ATOM 637 CB ALA A 43 -3.857 -3.339 -5.862 1.00 0.00 C ATOM 0 H ALA A 43 -4.062 -5.801 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.214 -3.663 -7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.584 -2.292 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.915 -3.410 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.261 -3.773 -5.059 1.00 0.00 H new ATOM 643 N THR A 44 -1.291 -4.823 -7.020 1.00 0.00 N ATOM 644 CA THR A 44 0.137 -4.806 -7.313 1.00 0.00 C ATOM 645 C THR A 44 0.396 -4.876 -8.815 1.00 0.00 C ATOM 646 O THR A 44 0.951 -3.949 -9.405 1.00 0.00 O ATOM 647 CB THR A 44 0.830 -5.977 -6.617 1.00 0.00 C ATOM 648 OG1 THR A 44 0.290 -6.176 -5.323 1.00 0.00 O ATOM 649 CG2 THR A 44 2.323 -5.789 -6.470 1.00 0.00 C ATOM 0 H THR A 44 -1.575 -5.552 -6.366 1.00 0.00 H new ATOM 0 HA THR A 44 0.543 -3.866 -6.939 1.00 0.00 H new ATOM 0 HB THR A 44 0.654 -6.841 -7.257 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.421 -5.367 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.751 -6.657 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.775 -5.680 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.521 -4.894 -5.880 1.00 0.00 H new ATOM 657 N LEU A 45 -0.003 -5.989 -9.422 1.00 0.00 N ATOM 658 CA LEU A 45 0.191 -6.199 -10.852 1.00 0.00 C ATOM 659 C LEU A 45 -0.443 -5.077 -11.667 1.00 0.00 C ATOM 660 O LEU A 45 0.105 -4.654 -12.683 1.00 0.00 O ATOM 661 CB LEU A 45 -0.405 -7.544 -11.269 1.00 0.00 C ATOM 662 CG LEU A 45 0.492 -8.757 -11.019 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.306 -10.044 -11.156 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.671 -8.752 -11.980 1.00 0.00 C ATOM 0 H LEU A 45 -0.465 -6.762 -8.943 1.00 0.00 H new ATOM 0 HA LEU A 45 1.263 -6.199 -11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.344 -7.689 -10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.647 -7.503 -12.331 1.00 0.00 H new ATOM 0 HG LEU A 45 0.878 -8.700 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.347 -10.898 -10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.118 -10.048 -10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.720 -10.110 -12.162 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.300 -9.622 -11.789 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.304 -8.787 -13.006 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.255 -7.843 -11.835 1.00 0.00 H new ATOM 676 N GLU A 46 -1.605 -4.609 -11.222 1.00 0.00 N ATOM 677 CA GLU A 46 -2.313 -3.536 -11.911 1.00 0.00 C ATOM 678 C GLU A 46 -1.502 -2.243 -11.870 1.00 0.00 C ATOM 679 O GLU A 46 -1.611 -1.399 -12.761 1.00 0.00 O ATOM 680 CB GLU A 46 -3.697 -3.332 -11.276 1.00 0.00 C ATOM 681 CG GLU A 46 -4.194 -1.894 -11.305 1.00 0.00 C ATOM 682 CD GLU A 46 -5.579 -1.739 -10.706 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.305 -2.751 -10.616 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.937 -0.604 -10.325 1.00 0.00 O ATOM 0 H GLU A 46 -2.076 -4.956 -10.387 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.446 -3.815 -12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.418 -3.964 -11.794 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.662 -3.671 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.494 -1.261 -10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.207 -1.540 -12.336 1.00 0.00 H new ATOM 691 N ALA A 47 -0.698 -2.092 -10.824 1.00 0.00 N ATOM 692 CA ALA A 47 0.134 -0.906 -10.661 1.00 0.00 C ATOM 693 C ALA A 47 1.309 -0.909 -11.637 1.00 0.00 C ATOM 694 O ALA A 47 1.857 0.146 -11.961 1.00 0.00 O ATOM 695 CB ALA A 47 0.637 -0.809 -9.229 1.00 0.00 C ATOM 0 H ALA A 47 -0.605 -2.778 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.480 -0.033 -10.883 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.257 0.081 -9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.212 -0.745 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.227 -1.694 -8.990 1.00 0.00 H new ATOM 701 N MET A 48 1.701 -2.098 -12.091 1.00 0.00 N ATOM 702 CA MET A 48 2.836 -2.228 -13.003 1.00 0.00 C ATOM 703 C MET A 48 2.637 -1.400 -14.277 1.00 0.00 C ATOM 704 O MET A 48 3.476 -0.559 -14.600 1.00 0.00 O ATOM 705 CB MET A 48 3.086 -3.699 -13.350 1.00 0.00 C ATOM 706 CG MET A 48 3.614 -4.518 -12.183 1.00 0.00 C ATOM 707 SD MET A 48 5.185 -3.895 -11.553 1.00 0.00 S ATOM 708 CE MET A 48 4.638 -2.977 -10.116 1.00 0.00 C ATOM 0 H MET A 48 1.253 -2.980 -11.844 1.00 0.00 H new ATOM 0 HA MET A 48 3.714 -1.837 -12.490 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.156 -4.143 -13.704 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.798 -3.754 -14.173 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.878 -4.515 -11.379 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.738 -5.554 -12.498 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.308 -2.134 -9.946 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.626 -2.608 -10.283 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.647 -3.629 -9.243 1.00 0.00 H new ATOM 718 N PRO A 49 1.531 -1.606 -15.024 1.00 0.00 N ATOM 719 CA PRO A 49 1.263 -0.843 -16.246 1.00 0.00 C ATOM 720 C PRO A 49 0.910 0.606 -15.935 1.00 0.00 C ATOM 721 O PRO A 49 1.402 1.531 -16.582 1.00 0.00 O ATOM 722 CB PRO A 49 0.063 -1.562 -16.883 1.00 0.00 C ATOM 723 CG PRO A 49 -0.094 -2.836 -16.120 1.00 0.00 C ATOM 724 CD PRO A 49 0.457 -2.570 -14.751 1.00 0.00 C ATOM 0 HA PRO A 49 2.134 -0.804 -16.901 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.838 -0.953 -16.818 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.240 -1.758 -17.941 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.142 -3.133 -16.068 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.444 -3.650 -16.606 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.299 -2.158 -14.082 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.836 -3.478 -14.282 1.00 0.00 H new ATOM 732 N GLN A 50 0.055 0.793 -14.935 1.00 0.00 N ATOM 733 CA GLN A 50 -0.367 2.125 -14.520 1.00 0.00 C ATOM 734 C GLN A 50 0.750 2.858 -13.783 1.00 0.00 C ATOM 735 O GLN A 50 0.527 3.932 -13.222 1.00 0.00 O ATOM 736 CB GLN A 50 -1.605 2.033 -13.623 1.00 0.00 C ATOM 737 CG GLN A 50 -2.915 2.190 -14.377 1.00 0.00 C ATOM 738 CD GLN A 50 -3.917 3.050 -13.632 1.00 0.00 C ATOM 739 OE1 GLN A 50 -4.151 4.204 -13.990 1.00 0.00 O ATOM 740 NE2 GLN A 50 -4.517 2.488 -12.589 1.00 0.00 N ATOM 0 H GLN A 50 -0.361 0.034 -14.395 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.612 2.691 -15.419 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.603 1.070 -13.112 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.544 2.802 -12.853 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.717 2.632 -15.353 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.348 1.206 -14.555 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.292 1.528 -12.328 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.203 3.016 -12.049 1.00 0.00 H new ATOM 749 N LEU A 51 1.949 2.272 -13.782 1.00 0.00 N ATOM 750 CA LEU A 51 3.100 2.863 -13.107 1.00 0.00 C ATOM 751 C LEU A 51 3.201 4.361 -13.379 1.00 0.00 C ATOM 752 O LEU A 51 2.724 4.853 -14.402 1.00 0.00 O ATOM 753 CB LEU A 51 4.386 2.163 -13.556 1.00 0.00 C ATOM 754 CG LEU A 51 5.062 2.766 -14.791 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.459 3.259 -14.448 1.00 0.00 C ATOM 756 CD2 LEU A 51 5.113 1.749 -15.920 1.00 0.00 C ATOM 0 H LEU A 51 2.146 1.384 -14.244 1.00 0.00 H new ATOM 0 HA LEU A 51 2.965 2.725 -12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.096 2.178 -12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.158 1.117 -13.761 1.00 0.00 H new ATOM 0 HG LEU A 51 4.472 3.619 -15.125 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.924 3.684 -15.338 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.395 4.022 -13.672 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.061 2.425 -14.088 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.596 2.194 -16.789 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.680 0.876 -15.598 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.099 1.447 -16.184 1.00 0.00 H new ATOM 768 N LYS A 52 3.832 5.077 -12.457 1.00 0.00 N ATOM 769 CA LYS A 52 3.999 6.519 -12.589 1.00 0.00 C ATOM 770 C LYS A 52 5.473 6.905 -12.502 1.00 0.00 C ATOM 771 O LYS A 52 6.354 6.081 -12.745 1.00 0.00 O ATOM 772 CB LYS A 52 3.200 7.242 -11.502 1.00 0.00 C ATOM 773 CG LYS A 52 1.892 7.835 -12.001 1.00 0.00 C ATOM 774 CD LYS A 52 0.699 6.998 -11.565 1.00 0.00 C ATOM 775 CE LYS A 52 -0.613 7.717 -11.834 1.00 0.00 C ATOM 776 NZ LYS A 52 -1.279 8.149 -10.573 1.00 0.00 N ATOM 0 H LYS A 52 4.237 4.682 -11.608 1.00 0.00 H new ATOM 0 HA LYS A 52 3.624 6.820 -13.567 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.987 6.543 -10.693 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.813 8.039 -11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.783 8.851 -11.621 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.913 7.902 -13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.708 6.045 -12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.780 6.772 -10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.427 8.588 -12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.280 7.058 -12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.170 8.635 -10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.479 7.316 -9.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.653 8.798 -10.054 1.00 0.00 H new ATOM 790 N LYS A 53 5.733 8.161 -12.151 1.00 0.00 N ATOM 791 CA LYS A 53 7.099 8.658 -12.037 1.00 0.00 C ATOM 792 C LYS A 53 7.744 8.200 -10.732 1.00 0.00 C ATOM 793 O LYS A 53 8.839 8.643 -10.382 1.00 0.00 O ATOM 794 CB LYS A 53 7.109 10.185 -12.114 1.00 0.00 C ATOM 795 CG LYS A 53 8.240 10.743 -12.960 1.00 0.00 C ATOM 796 CD LYS A 53 7.832 10.876 -14.419 1.00 0.00 C ATOM 797 CE LYS A 53 8.803 10.153 -15.337 1.00 0.00 C ATOM 798 NZ LYS A 53 9.970 11.006 -15.692 1.00 0.00 N ATOM 0 H LYS A 53 5.014 8.853 -11.941 1.00 0.00 H new ATOM 0 HA LYS A 53 7.678 8.250 -12.866 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.158 10.526 -12.523 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.186 10.591 -11.105 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.537 11.718 -12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.110 10.091 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.830 10.470 -14.556 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.789 11.931 -14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.153 9.243 -14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.285 9.849 -16.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.609 10.477 -16.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.638 11.863 -16.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.479 11.275 -14.826 1.00 0.00 H new ATOM 812 N GLY A 54 7.061 7.311 -10.016 1.00 0.00 N ATOM 813 CA GLY A 54 7.585 6.810 -8.758 1.00 0.00 C ATOM 814 C GLY A 54 6.507 6.196 -7.886 1.00 0.00 C ATOM 815 O GLY A 54 5.991 6.848 -6.977 1.00 0.00 O ATOM 0 H GLY A 54 6.154 6.929 -10.285 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.354 6.064 -8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.065 7.625 -8.217 1.00 0.00 H new ATOM 819 N GLU A 55 6.169 4.940 -8.160 1.00 0.00 N ATOM 820 CA GLU A 55 5.140 4.244 -7.396 1.00 0.00 C ATOM 821 C GLU A 55 5.702 3.684 -6.095 1.00 0.00 C ATOM 822 O GLU A 55 6.905 3.745 -5.850 1.00 0.00 O ATOM 823 CB GLU A 55 4.518 3.121 -8.230 1.00 0.00 C ATOM 824 CG GLU A 55 5.298 1.816 -8.200 1.00 0.00 C ATOM 825 CD GLU A 55 4.400 0.600 -8.318 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.904 0.125 -7.274 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.188 0.126 -9.454 1.00 0.00 O ATOM 0 H GLU A 55 6.592 4.384 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 55 4.364 4.968 -7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.506 2.935 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.432 3.456 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.021 1.810 -9.015 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.865 1.756 -7.271 1.00 0.00 H new ATOM 834 N ILE A 56 4.811 3.170 -5.254 1.00 0.00 N ATOM 835 CA ILE A 56 5.188 2.591 -3.968 1.00 0.00 C ATOM 836 C ILE A 56 4.074 1.670 -3.462 1.00 0.00 C ATOM 837 O ILE A 56 2.919 1.810 -3.858 1.00 0.00 O ATOM 838 CB ILE A 56 5.493 3.695 -2.920 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.968 4.105 -2.995 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.151 3.234 -1.511 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.326 5.267 -2.093 1.00 0.00 C ATOM 0 H ILE A 56 3.809 3.143 -5.443 1.00 0.00 H new ATOM 0 HA ILE A 56 6.097 2.008 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 56 4.868 4.557 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.588 3.248 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.210 4.368 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.377 4.031 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.090 2.989 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.741 2.351 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.386 5.499 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.734 6.139 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.117 5.001 -1.057 1.00 0.00 H new ATOM 853 N LEU A 57 4.425 0.717 -2.608 1.00 0.00 N ATOM 854 CA LEU A 57 3.442 -0.209 -2.064 1.00 0.00 C ATOM 855 C LEU A 57 3.692 -0.474 -0.602 1.00 0.00 C ATOM 856 O LEU A 57 4.801 -0.282 -0.103 1.00 0.00 O ATOM 857 CB LEU A 57 3.496 -1.536 -2.803 1.00 0.00 C ATOM 858 CG LEU A 57 2.154 -2.232 -3.008 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.493 -1.732 -4.279 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.337 -3.742 -3.057 1.00 0.00 C ATOM 0 H LEU A 57 5.378 0.566 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 57 2.462 0.253 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.951 -1.369 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.154 -2.210 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 57 1.506 -1.995 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.536 -2.236 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.329 -0.657 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.138 -1.943 -5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.369 -4.221 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.999 -4.002 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.774 -4.086 -2.120 1.00 0.00 H new ATOM 872 N GLU A 58 2.669 -0.971 0.071 1.00 0.00 N ATOM 873 CA GLU A 58 2.813 -1.348 1.455 1.00 0.00 C ATOM 874 C GLU A 58 1.997 -2.599 1.754 1.00 0.00 C ATOM 875 O GLU A 58 0.770 -2.570 1.723 1.00 0.00 O ATOM 876 CB GLU A 58 2.392 -0.207 2.391 1.00 0.00 C ATOM 877 CG GLU A 58 2.763 1.179 1.890 1.00 0.00 C ATOM 878 CD GLU A 58 2.181 2.284 2.748 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.957 2.517 2.665 1.00 0.00 O ATOM 880 OE2 GLU A 58 2.948 2.917 3.504 1.00 0.00 O ATOM 0 H GLU A 58 1.739 -1.120 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 58 3.867 -1.561 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.313 -0.251 2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.852 -0.364 3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.849 1.275 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.412 1.297 0.865 1.00 0.00 H new ATOM 887 N VAL A 59 2.689 -3.690 2.055 1.00 0.00 N ATOM 888 CA VAL A 59 2.033 -4.963 2.330 1.00 0.00 C ATOM 889 C VAL A 59 2.316 -5.439 3.750 1.00 0.00 C ATOM 890 O VAL A 59 3.452 -5.752 4.093 1.00 0.00 O ATOM 891 CB VAL A 59 2.494 -6.053 1.349 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.714 -7.335 1.579 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.346 -5.577 -0.088 1.00 0.00 C ATOM 0 H VAL A 59 3.707 -3.720 2.115 1.00 0.00 H new ATOM 0 HA VAL A 59 0.963 -4.793 2.210 1.00 0.00 H new ATOM 0 HB VAL A 59 3.549 -6.259 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.052 -8.097 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.878 -7.683 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.651 -7.147 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.677 -6.362 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.301 -5.342 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.954 -4.685 -0.240 1.00 0.00 H new ATOM 903 N VAL A 60 1.271 -5.505 4.564 1.00 0.00 N ATOM 904 CA VAL A 60 1.401 -5.985 5.933 1.00 0.00 C ATOM 905 C VAL A 60 0.539 -7.225 6.137 1.00 0.00 C ATOM 906 O VAL A 60 -0.662 -7.129 6.394 1.00 0.00 O ATOM 907 CB VAL A 60 1.004 -4.904 6.958 1.00 0.00 C ATOM 908 CG1 VAL A 60 1.179 -5.420 8.378 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.823 -3.642 6.738 1.00 0.00 C ATOM 0 H VAL A 60 0.324 -5.232 4.300 1.00 0.00 H new ATOM 0 HA VAL A 60 2.450 -6.234 6.095 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.049 -4.661 6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.893 -4.642 9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.547 -6.296 8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.222 -5.693 8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.532 -2.887 7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.882 -3.871 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.643 -3.262 5.732 1.00 0.00 H new ATOM 919 N SER A 61 1.144 -8.392 5.972 1.00 0.00 N ATOM 920 CA SER A 61 0.411 -9.642 6.094 1.00 0.00 C ATOM 921 C SER A 61 1.125 -10.628 7.006 1.00 0.00 C ATOM 922 O SER A 61 2.263 -10.406 7.418 1.00 0.00 O ATOM 923 CB SER A 61 0.212 -10.269 4.713 1.00 0.00 C ATOM 924 OG SER A 61 1.236 -9.871 3.819 1.00 0.00 O ATOM 0 H SER A 61 2.135 -8.499 5.755 1.00 0.00 H new ATOM 0 HA SER A 61 -0.558 -9.414 6.539 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.204 -11.355 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.758 -9.975 4.313 1.00 0.00 H new ATOM 0 HG SER A 61 1.086 -10.287 2.944 1.00 0.00 H new ATOM 930 N ASP A 62 0.459 -11.742 7.274 1.00 0.00 N ATOM 931 CA ASP A 62 1.025 -12.789 8.117 1.00 0.00 C ATOM 932 C ASP A 62 1.192 -14.079 7.320 1.00 0.00 C ATOM 933 O ASP A 62 0.277 -14.507 6.616 1.00 0.00 O ATOM 934 CB ASP A 62 0.136 -13.039 9.333 1.00 0.00 C ATOM 935 CG ASP A 62 0.914 -13.018 10.633 1.00 0.00 C ATOM 936 OD1 ASP A 62 2.098 -13.420 10.622 1.00 0.00 O ATOM 937 OD2 ASP A 62 0.342 -12.604 11.663 1.00 0.00 O ATOM 0 H ASP A 62 -0.476 -11.946 6.920 1.00 0.00 H new ATOM 0 HA ASP A 62 2.004 -12.457 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.647 -12.281 9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.359 -14.004 9.225 1.00 0.00 H new ATOM 942 N CYS A 63 2.378 -14.672 7.405 1.00 0.00 N ATOM 943 CA CYS A 63 2.672 -15.900 6.677 1.00 0.00 C ATOM 944 C CYS A 63 3.683 -16.758 7.435 1.00 0.00 C ATOM 945 O CYS A 63 4.823 -16.344 7.649 1.00 0.00 O ATOM 946 CB CYS A 63 3.211 -15.573 5.283 1.00 0.00 C ATOM 947 SG CYS A 63 2.213 -16.235 3.929 1.00 0.00 S ATOM 0 H CYS A 63 3.151 -14.322 7.971 1.00 0.00 H new ATOM 0 HA CYS A 63 1.745 -16.464 6.580 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.276 -14.490 5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.225 -15.964 5.197 1.00 0.00 H new ATOM 0 HG CYS A 63 2.948 -16.345 2.862 1.00 0.00 H new ATOM 953 N PRO A 64 3.282 -17.974 7.849 1.00 0.00 N ATOM 954 CA PRO A 64 4.164 -18.894 8.577 1.00 0.00 C ATOM 955 C PRO A 64 5.366 -19.319 7.740 1.00 0.00 C ATOM 956 O PRO A 64 6.364 -19.809 8.271 1.00 0.00 O ATOM 957 CB PRO A 64 3.267 -20.099 8.877 1.00 0.00 C ATOM 958 CG PRO A 64 2.164 -20.017 7.877 1.00 0.00 C ATOM 959 CD PRO A 64 1.944 -18.552 7.634 1.00 0.00 C ATOM 0 HA PRO A 64 4.583 -18.432 9.471 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.818 -21.035 8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.880 -20.059 9.895 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.433 -20.531 6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.258 -20.492 8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.580 -18.361 6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.209 -18.135 8.323 1.00 0.00 H new ATOM 967 N GLN A 65 5.263 -19.126 6.429 1.00 0.00 N ATOM 968 CA GLN A 65 6.340 -19.486 5.514 1.00 0.00 C ATOM 969 C GLN A 65 7.019 -18.238 4.958 1.00 0.00 C ATOM 970 O GLN A 65 6.863 -17.142 5.498 1.00 0.00 O ATOM 971 CB GLN A 65 5.796 -20.339 4.365 1.00 0.00 C ATOM 972 CG GLN A 65 5.141 -21.633 4.821 1.00 0.00 C ATOM 973 CD GLN A 65 3.832 -21.905 4.107 1.00 0.00 C ATOM 974 OE1 GLN A 65 3.718 -22.861 3.339 1.00 0.00 O ATOM 975 NE2 GLN A 65 2.837 -21.063 4.356 1.00 0.00 N ATOM 0 H GLN A 65 4.443 -18.722 5.976 1.00 0.00 H new ATOM 0 HA GLN A 65 7.079 -20.064 6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.069 -19.753 3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.612 -20.576 3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.825 -22.463 4.647 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.962 -21.587 5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.977 -20.284 5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.932 -21.194 3.904 1.00 0.00 H new ATOM 984 N SER A 66 7.771 -18.411 3.877 1.00 0.00 N ATOM 985 CA SER A 66 8.473 -17.299 3.247 1.00 0.00 C ATOM 986 C SER A 66 7.744 -16.836 1.990 1.00 0.00 C ATOM 987 O SER A 66 7.971 -15.730 1.501 1.00 0.00 O ATOM 988 CB SER A 66 9.903 -17.709 2.893 1.00 0.00 C ATOM 989 OG SER A 66 10.759 -16.582 2.833 1.00 0.00 O ATOM 0 H SER A 66 7.910 -19.311 3.418 1.00 0.00 H new ATOM 0 HA SER A 66 8.501 -16.472 3.956 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.277 -18.414 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.909 -18.225 1.933 1.00 0.00 H new ATOM 0 HG SER A 66 11.667 -16.873 2.606 1.00 0.00 H new ATOM 995 N ILE A 67 6.876 -17.695 1.469 1.00 0.00 N ATOM 996 CA ILE A 67 6.121 -17.382 0.263 1.00 0.00 C ATOM 997 C ILE A 67 5.079 -16.298 0.527 1.00 0.00 C ATOM 998 O ILE A 67 4.310 -16.381 1.485 1.00 0.00 O ATOM 999 CB ILE A 67 5.416 -18.632 -0.300 1.00 0.00 C ATOM 1000 CG1 ILE A 67 6.417 -19.781 -0.477 1.00 0.00 C ATOM 1001 CG2 ILE A 67 4.729 -18.310 -1.621 1.00 0.00 C ATOM 1002 CD1 ILE A 67 7.563 -19.462 -1.415 1.00 0.00 C ATOM 0 H ILE A 67 6.678 -18.614 1.864 1.00 0.00 H new ATOM 0 HA ILE A 67 6.839 -17.017 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 67 4.655 -18.948 0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.823 -20.048 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.887 -20.656 -0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.237 -19.205 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.987 -17.527 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.471 -17.968 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.226 -20.324 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.169 -19.224 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.120 -18.607 -1.031 1.00 0.00 H new ATOM 1014 N ASN A 68 5.065 -15.282 -0.331 1.00 0.00 N ATOM 1015 CA ASN A 68 4.113 -14.182 -0.208 1.00 0.00 C ATOM 1016 C ASN A 68 3.548 -13.815 -1.578 1.00 0.00 C ATOM 1017 O ASN A 68 4.292 -13.628 -2.539 1.00 0.00 O ATOM 1018 CB ASN A 68 4.776 -12.968 0.443 1.00 0.00 C ATOM 1019 CG ASN A 68 6.280 -13.118 0.563 1.00 0.00 C ATOM 1020 OD1 ASN A 68 6.946 -13.343 -0.564 1.00 0.00 O flip ATOM 1021 ND2 ASN A 68 6.838 -13.029 1.656 1.00 0.00 N flip ATOM 0 H ASN A 68 5.704 -15.197 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 68 3.291 -14.505 0.431 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.549 -12.077 -0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.350 -12.814 1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.288 -12.855 2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.851 -13.129 1.721 1.00 0.00 H new ATOM 1028 N ASN A 69 2.225 -13.733 -1.660 1.00 0.00 N ATOM 1029 CA ASN A 69 1.540 -13.481 -2.924 1.00 0.00 C ATOM 1030 C ASN A 69 1.816 -12.091 -3.499 1.00 0.00 C ATOM 1031 O ASN A 69 2.090 -11.957 -4.692 1.00 0.00 O ATOM 1032 CB ASN A 69 0.032 -13.667 -2.738 1.00 0.00 C ATOM 1033 CG ASN A 69 -0.415 -15.086 -3.029 1.00 0.00 C ATOM 1034 OD1 ASN A 69 0.271 -16.048 -2.687 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -1.574 -15.222 -3.663 1.00 0.00 N ATOM 0 H ASN A 69 1.601 -13.838 -0.860 1.00 0.00 H new ATOM 0 HA ASN A 69 1.933 -14.202 -3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.240 -13.406 -1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.500 -12.979 -3.395 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.928 -16.153 -3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.110 -14.396 -3.928 1.00 0.00 H new ATOM 1042 N ILE A 70 1.686 -11.054 -2.674 1.00 0.00 N ATOM 1043 CA ILE A 70 1.832 -9.679 -3.162 1.00 0.00 C ATOM 1044 C ILE A 70 3.186 -9.431 -3.836 1.00 0.00 C ATOM 1045 O ILE A 70 3.228 -8.990 -4.985 1.00 0.00 O ATOM 1046 CB ILE A 70 1.594 -8.617 -2.060 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.669 -9.152 -0.958 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.004 -7.352 -2.674 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.637 -9.722 -1.471 1.00 0.00 C ATOM 0 H ILE A 70 1.483 -11.134 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 70 1.050 -9.567 -3.913 1.00 0.00 H new ATOM 0 HB ILE A 70 2.556 -8.382 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.196 -9.925 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.451 -8.346 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.840 -6.611 -1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.695 -6.951 -3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.055 -7.589 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.233 -10.079 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.188 -8.947 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.431 -10.551 -2.148 1.00 0.00 H new ATOM 1061 N PRO A 71 4.315 -9.691 -3.148 1.00 0.00 N ATOM 1062 CA PRO A 71 5.642 -9.472 -3.735 1.00 0.00 C ATOM 1063 C PRO A 71 5.884 -10.352 -4.957 1.00 0.00 C ATOM 1064 O PRO A 71 6.551 -9.942 -5.907 1.00 0.00 O ATOM 1065 CB PRO A 71 6.611 -9.832 -2.607 1.00 0.00 C ATOM 1066 CG PRO A 71 5.826 -10.694 -1.684 1.00 0.00 C ATOM 1067 CD PRO A 71 4.403 -10.219 -1.776 1.00 0.00 C ATOM 0 HA PRO A 71 5.761 -8.449 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.485 -10.358 -2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.974 -8.939 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.905 -11.743 -1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.199 -10.612 -0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.695 -11.031 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.186 -9.451 -1.034 1.00 0.00 H new ATOM 1075 N LEU A 72 5.320 -11.557 -4.933 1.00 0.00 N ATOM 1076 CA LEU A 72 5.456 -12.486 -6.051 1.00 0.00 C ATOM 1077 C LEU A 72 4.724 -11.967 -7.276 1.00 0.00 C ATOM 1078 O LEU A 72 5.088 -12.274 -8.407 1.00 0.00 O ATOM 1079 CB LEU A 72 4.899 -13.853 -5.677 1.00 0.00 C ATOM 1080 CG LEU A 72 5.950 -14.951 -5.498 1.00 0.00 C ATOM 1081 CD1 LEU A 72 5.944 -15.476 -4.071 1.00 0.00 C ATOM 1082 CD2 LEU A 72 5.710 -16.083 -6.485 1.00 0.00 C ATOM 0 H LEU A 72 4.766 -11.912 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 72 6.517 -12.577 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.333 -13.757 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.196 -14.166 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 72 6.931 -14.521 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.699 -16.255 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.167 -14.661 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.962 -15.889 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.466 -16.855 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.721 -16.509 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.771 -15.697 -7.503 1.00 0.00 H new ATOM 1094 N ASP A 73 3.666 -11.207 -7.037 1.00 0.00 N ATOM 1095 CA ASP A 73 2.869 -10.645 -8.121 1.00 0.00 C ATOM 1096 C ASP A 73 3.716 -9.725 -8.992 1.00 0.00 C ATOM 1097 O ASP A 73 3.843 -9.939 -10.197 1.00 0.00 O ATOM 1098 CB ASP A 73 1.669 -9.880 -7.560 1.00 0.00 C ATOM 1099 CG ASP A 73 0.371 -10.650 -7.704 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.390 -11.886 -7.524 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.665 -10.018 -7.997 1.00 0.00 O ATOM 0 H ASP A 73 3.338 -10.964 -6.102 1.00 0.00 H new ATOM 0 HA ASP A 73 2.505 -11.467 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.842 -9.660 -6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.579 -8.923 -8.075 1.00 0.00 H new ATOM 1106 N ALA A 74 4.307 -8.710 -8.371 1.00 0.00 N ATOM 1107 CA ALA A 74 5.153 -7.762 -9.088 1.00 0.00 C ATOM 1108 C ALA A 74 6.418 -8.440 -9.604 1.00 0.00 C ATOM 1109 O ALA A 74 6.884 -8.152 -10.706 1.00 0.00 O ATOM 1110 CB ALA A 74 5.506 -6.588 -8.189 1.00 0.00 C ATOM 0 H ALA A 74 4.216 -8.522 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 74 4.596 -7.390 -9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.138 -5.888 -8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.593 -6.083 -7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.041 -6.950 -7.311 1.00 0.00 H new ATOM 1116 N ARG A 75 6.959 -9.352 -8.804 1.00 0.00 N ATOM 1117 CA ARG A 75 8.176 -10.072 -9.168 1.00 0.00 C ATOM 1118 C ARG A 75 7.969 -10.932 -10.411 1.00 0.00 C ATOM 1119 O ARG A 75 8.717 -10.819 -11.383 1.00 0.00 O ATOM 1120 CB ARG A 75 8.633 -10.945 -7.996 1.00 0.00 C ATOM 1121 CG ARG A 75 9.882 -11.761 -8.291 1.00 0.00 C ATOM 1122 CD ARG A 75 10.723 -11.964 -7.041 1.00 0.00 C ATOM 1123 NE ARG A 75 11.778 -12.954 -7.244 1.00 0.00 N ATOM 1124 CZ ARG A 75 11.609 -14.261 -7.064 1.00 0.00 C ATOM 1125 NH1 ARG A 75 10.431 -14.734 -6.679 1.00 0.00 N ATOM 1126 NH2 ARG A 75 12.618 -15.096 -7.269 1.00 0.00 N ATOM 0 H ARG A 75 6.573 -9.612 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 75 8.946 -9.336 -9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.822 -10.308 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.824 -11.622 -7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.596 -12.730 -8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.476 -11.256 -9.053 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.169 -11.014 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.081 -12.282 -6.220 1.00 0.00 H new ATOM 0 HE ARG A 75 12.696 -12.624 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.652 -14.095 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.304 -15.737 -6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.525 -14.736 -7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.487 -16.098 -7.131 1.00 0.00 H new ATOM 1140 N ASN A 76 6.964 -11.803 -10.364 1.00 0.00 N ATOM 1141 CA ASN A 76 6.666 -12.695 -11.481 1.00 0.00 C ATOM 1142 C ASN A 76 6.632 -11.933 -12.802 1.00 0.00 C ATOM 1143 O ASN A 76 7.346 -12.274 -13.744 1.00 0.00 O ATOM 1144 CB ASN A 76 5.328 -13.401 -11.251 1.00 0.00 C ATOM 1145 CG ASN A 76 5.206 -14.680 -12.056 1.00 0.00 C ATOM 1146 OD1 ASN A 76 4.581 -14.702 -13.117 1.00 0.00 O ATOM 1147 ND2 ASN A 76 5.808 -15.753 -11.557 1.00 0.00 N ATOM 0 H ASN A 76 6.342 -11.910 -9.563 1.00 0.00 H new ATOM 0 HA ASN A 76 7.460 -13.439 -11.538 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.218 -13.630 -10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.514 -12.727 -11.518 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.763 -16.641 -12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.315 -15.689 -10.674 1.00 0.00 H new ATOM 1154 N HIS A 77 5.808 -10.892 -12.858 1.00 0.00 N ATOM 1155 CA HIS A 77 5.697 -10.069 -14.056 1.00 0.00 C ATOM 1156 C HIS A 77 6.965 -9.246 -14.259 1.00 0.00 C ATOM 1157 O HIS A 77 7.755 -9.517 -15.165 1.00 0.00 O ATOM 1158 CB HIS A 77 4.484 -9.142 -13.950 1.00 0.00 C ATOM 1159 CG HIS A 77 4.299 -8.255 -15.140 1.00 0.00 C ATOM 1160 ND1 HIS A 77 4.500 -6.898 -15.061 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.935 -8.575 -16.406 1.00 0.00 C ATOM 1162 CE1 HIS A 77 4.257 -6.424 -16.269 1.00 0.00 C ATOM 1163 NE2 HIS A 77 3.911 -7.404 -17.117 1.00 0.00 N ATOM 0 H HIS A 77 5.207 -10.599 -12.088 1.00 0.00 H new ATOM 0 HA HIS A 77 5.567 -10.727 -14.915 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.587 -9.746 -13.815 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.588 -8.523 -13.059 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.708 -9.562 -16.781 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.328 -5.381 -16.540 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.675 -7.298 -18.104 1.00 0.00 H new ATOM 1171 N GLY A 78 7.156 -8.247 -13.403 1.00 0.00 N ATOM 1172 CA GLY A 78 8.336 -7.409 -13.491 1.00 0.00 C ATOM 1173 C GLY A 78 8.145 -6.058 -12.830 1.00 0.00 C ATOM 1174 O GLY A 78 7.581 -5.138 -13.423 1.00 0.00 O ATOM 0 H GLY A 78 6.513 -8.003 -12.649 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.177 -7.922 -13.024 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.595 -7.262 -14.540 1.00 0.00 H new ATOM 1178 N TYR A 79 8.633 -5.939 -11.601 1.00 0.00 N ATOM 1179 CA TYR A 79 8.518 -4.706 -10.834 1.00 0.00 C ATOM 1180 C TYR A 79 9.695 -3.775 -11.098 1.00 0.00 C ATOM 1181 O TYR A 79 10.476 -3.983 -12.027 1.00 0.00 O ATOM 1182 CB TYR A 79 8.485 -5.046 -9.344 1.00 0.00 C ATOM 1183 CG TYR A 79 9.731 -5.779 -8.888 1.00 0.00 C ATOM 1184 CD1 TYR A 79 10.853 -5.083 -8.458 1.00 0.00 C ATOM 1185 CD2 TYR A 79 9.798 -7.164 -8.927 1.00 0.00 C ATOM 1186 CE1 TYR A 79 12.001 -5.747 -8.069 1.00 0.00 C ATOM 1187 CE2 TYR A 79 10.939 -7.837 -8.531 1.00 0.00 C ATOM 1188 CZ TYR A 79 12.036 -7.124 -8.102 1.00 0.00 C ATOM 1189 OH TYR A 79 13.174 -7.789 -7.704 1.00 0.00 O ATOM 0 H TYR A 79 9.117 -6.691 -11.111 1.00 0.00 H new ATOM 0 HA TYR A 79 7.601 -4.200 -11.138 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.376 -4.127 -8.767 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.609 -5.660 -9.134 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.828 -4.004 -8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.944 -7.727 -9.273 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.866 -5.190 -7.741 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.970 -8.916 -8.558 1.00 0.00 H new ATOM 0 HH TYR A 79 13.034 -8.755 -7.787 1.00 0.00 H new ATOM 1199 N THR A 80 9.838 -2.777 -10.232 1.00 0.00 N ATOM 1200 CA THR A 80 10.964 -1.856 -10.291 1.00 0.00 C ATOM 1201 C THR A 80 11.851 -2.076 -9.072 1.00 0.00 C ATOM 1202 O THR A 80 13.049 -2.329 -9.193 1.00 0.00 O ATOM 1203 CB THR A 80 10.476 -0.408 -10.336 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.559 -0.224 -11.400 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.593 0.595 -10.513 1.00 0.00 C ATOM 0 H THR A 80 9.181 -2.586 -9.475 1.00 0.00 H new ATOM 0 HA THR A 80 11.536 -2.047 -11.199 1.00 0.00 H new ATOM 0 HB THR A 80 10.003 -0.231 -9.370 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.697 0.073 -11.041 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.177 1.602 -10.537 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.293 0.511 -9.682 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.116 0.396 -11.449 1.00 0.00 H new ATOM 1213 N VAL A 81 11.226 -2.042 -7.896 1.00 0.00 N ATOM 1214 CA VAL A 81 11.917 -2.303 -6.641 1.00 0.00 C ATOM 1215 C VAL A 81 11.011 -3.099 -5.701 1.00 0.00 C ATOM 1216 O VAL A 81 9.957 -2.619 -5.290 1.00 0.00 O ATOM 1217 CB VAL A 81 12.356 -1.000 -5.945 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.170 -1.308 -4.698 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.148 -0.120 -6.901 1.00 0.00 C ATOM 0 H VAL A 81 10.233 -1.834 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 81 12.812 -2.880 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 81 11.462 -0.455 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.471 -0.376 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.566 -1.893 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.058 -1.877 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.448 0.795 -6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.036 -0.656 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.528 0.132 -7.761 1.00 0.00 H new ATOM 1229 N LEU A 82 11.432 -4.315 -5.371 1.00 0.00 N ATOM 1230 CA LEU A 82 10.652 -5.195 -4.504 1.00 0.00 C ATOM 1231 C LEU A 82 11.466 -5.603 -3.281 1.00 0.00 C ATOM 1232 O LEU A 82 12.374 -6.430 -3.374 1.00 0.00 O ATOM 1233 CB LEU A 82 10.218 -6.448 -5.277 1.00 0.00 C ATOM 1234 CG LEU A 82 8.707 -6.624 -5.479 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.040 -7.026 -4.173 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.081 -5.354 -6.028 1.00 0.00 C ATOM 0 H LEU A 82 12.313 -4.717 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 82 9.767 -4.652 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.696 -6.430 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.599 -7.324 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 82 8.552 -7.420 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.969 -7.147 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.463 -7.968 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.210 -6.252 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.010 -5.505 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.247 -4.535 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.536 -5.110 -6.988 1.00 0.00 H new ATOM 1248 N ASP A 83 11.141 -5.010 -2.136 1.00 0.00 N ATOM 1249 CA ASP A 83 11.842 -5.306 -0.892 1.00 0.00 C ATOM 1250 C ASP A 83 10.863 -5.770 0.179 1.00 0.00 C ATOM 1251 O ASP A 83 9.654 -5.592 0.043 1.00 0.00 O ATOM 1252 CB ASP A 83 12.602 -4.071 -0.406 1.00 0.00 C ATOM 1253 CG ASP A 83 13.693 -3.648 -1.371 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.544 -4.495 -1.713 1.00 0.00 O ATOM 1255 OD2 ASP A 83 13.695 -2.468 -1.784 1.00 0.00 O ATOM 0 H ASP A 83 10.395 -4.320 -2.045 1.00 0.00 H new ATOM 0 HA ASP A 83 12.554 -6.109 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.902 -3.247 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.043 -4.279 0.569 1.00 0.00 H new ATOM 1260 N ILE A 84 11.387 -6.385 1.235 1.00 0.00 N ATOM 1261 CA ILE A 84 10.546 -6.875 2.321 1.00 0.00 C ATOM 1262 C ILE A 84 11.190 -6.624 3.682 1.00 0.00 C ATOM 1263 O ILE A 84 12.368 -6.277 3.772 1.00 0.00 O ATOM 1264 CB ILE A 84 10.249 -8.383 2.181 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.483 -9.211 2.544 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.784 -8.713 0.771 1.00 0.00 C ATOM 1267 CD1 ILE A 84 11.197 -10.689 2.706 1.00 0.00 C ATOM 0 H ILE A 84 12.385 -6.555 1.361 1.00 0.00 H new ATOM 0 HA ILE A 84 9.609 -6.321 2.256 1.00 0.00 H new ATOM 0 HB ILE A 84 9.447 -8.636 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.239 -9.079 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.907 -8.828 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.581 -9.781 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.875 -8.154 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.562 -8.441 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.118 -11.212 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.464 -10.833 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.802 -11.088 1.772 1.00 0.00 H new ATOM 1279 N GLN A 85 10.403 -6.812 4.736 1.00 0.00 N ATOM 1280 CA GLN A 85 10.880 -6.624 6.102 1.00 0.00 C ATOM 1281 C GLN A 85 10.062 -7.466 7.075 1.00 0.00 C ATOM 1282 O GLN A 85 8.918 -7.820 6.792 1.00 0.00 O ATOM 1283 CB GLN A 85 10.800 -5.146 6.492 1.00 0.00 C ATOM 1284 CG GLN A 85 12.139 -4.430 6.446 1.00 0.00 C ATOM 1285 CD GLN A 85 12.136 -3.132 7.230 1.00 0.00 C ATOM 1286 OE1 GLN A 85 11.283 -2.916 8.092 1.00 0.00 O ATOM 1287 NE2 GLN A 85 13.091 -2.260 6.933 1.00 0.00 N ATOM 0 H GLN A 85 9.426 -7.096 4.670 1.00 0.00 H new ATOM 0 HA GLN A 85 11.920 -6.947 6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.104 -4.640 5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.390 -5.066 7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.912 -5.088 6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.400 -4.222 5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.777 -2.481 6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.139 -1.369 7.426 1.00 0.00 H new ATOM 1296 N GLN A 86 10.653 -7.791 8.221 1.00 0.00 N ATOM 1297 CA GLN A 86 9.968 -8.594 9.230 1.00 0.00 C ATOM 1298 C GLN A 86 10.133 -7.981 10.618 1.00 0.00 C ATOM 1299 O GLN A 86 11.101 -7.268 10.881 1.00 0.00 O ATOM 1300 CB GLN A 86 10.507 -10.025 9.226 1.00 0.00 C ATOM 1301 CG GLN A 86 9.437 -11.077 9.466 1.00 0.00 C ATOM 1302 CD GLN A 86 9.922 -12.213 10.346 1.00 0.00 C ATOM 1303 OE1 GLN A 86 9.509 -12.340 11.499 1.00 0.00 O ATOM 1304 NE2 GLN A 86 10.806 -13.044 9.806 1.00 0.00 N ATOM 0 H GLN A 86 11.601 -7.512 8.474 1.00 0.00 H new ATOM 0 HA GLN A 86 8.906 -8.612 8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.989 -10.220 8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.275 -10.118 9.994 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.569 -10.608 9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.107 -11.480 8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.121 -12.901 8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.170 -13.826 10.351 1.00 0.00 H new ATOM 1313 N ASP A 87 9.182 -8.267 11.504 1.00 0.00 N ATOM 1314 CA ASP A 87 9.232 -7.745 12.865 1.00 0.00 C ATOM 1315 C ASP A 87 9.188 -8.878 13.884 1.00 0.00 C ATOM 1316 O ASP A 87 10.220 -9.288 14.416 1.00 0.00 O ATOM 1317 CB ASP A 87 8.070 -6.779 13.108 1.00 0.00 C ATOM 1318 CG ASP A 87 8.421 -5.347 12.755 1.00 0.00 C ATOM 1319 OD1 ASP A 87 9.490 -4.872 13.194 1.00 0.00 O ATOM 1320 OD2 ASP A 87 7.627 -4.700 12.040 1.00 0.00 O ATOM 0 H ASP A 87 8.372 -8.854 11.305 1.00 0.00 H new ATOM 0 HA ASP A 87 10.173 -7.208 12.986 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.210 -7.095 12.518 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.773 -6.829 14.156 1.00 0.00 H new ATOM 1325 N GLY A 88 7.987 -9.381 14.149 1.00 0.00 N ATOM 1326 CA GLY A 88 7.829 -10.465 15.098 1.00 0.00 C ATOM 1327 C GLY A 88 6.815 -11.495 14.636 1.00 0.00 C ATOM 1328 O GLY A 88 7.143 -12.375 13.839 1.00 0.00 O ATOM 0 H GLY A 88 7.119 -9.056 13.722 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.792 -10.951 15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.518 -10.059 16.061 1.00 0.00 H new ATOM 1332 N PRO A 89 5.562 -11.407 15.115 1.00 0.00 N ATOM 1333 CA PRO A 89 4.505 -12.348 14.742 1.00 0.00 C ATOM 1334 C PRO A 89 3.879 -12.019 13.390 1.00 0.00 C ATOM 1335 O PRO A 89 2.859 -12.595 13.015 1.00 0.00 O ATOM 1336 CB PRO A 89 3.483 -12.171 15.860 1.00 0.00 C ATOM 1337 CG PRO A 89 3.625 -10.746 16.271 1.00 0.00 C ATOM 1338 CD PRO A 89 5.078 -10.392 16.073 1.00 0.00 C ATOM 0 HA PRO A 89 4.879 -13.366 14.636 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.473 -12.385 15.512 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.683 -12.846 16.692 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.982 -10.102 15.670 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.330 -10.610 17.311 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.193 -9.383 15.678 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.631 -10.432 17.012 1.00 0.00 H new ATOM 1346 N THR A 90 4.489 -11.082 12.667 1.00 0.00 N ATOM 1347 CA THR A 90 3.987 -10.680 11.357 1.00 0.00 C ATOM 1348 C THR A 90 5.133 -10.305 10.426 1.00 0.00 C ATOM 1349 O THR A 90 6.297 -10.289 10.830 1.00 0.00 O ATOM 1350 CB THR A 90 3.026 -9.496 11.492 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.649 -8.421 12.172 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.749 -9.832 12.233 1.00 0.00 C ATOM 0 H THR A 90 5.330 -10.588 12.966 1.00 0.00 H new ATOM 0 HA THR A 90 3.453 -11.529 10.930 1.00 0.00 H new ATOM 0 HB THR A 90 2.766 -9.222 10.470 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.020 -7.673 12.247 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.117 -8.945 12.290 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.218 -10.623 11.703 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.991 -10.170 13.241 1.00 0.00 H new ATOM 1360 N ILE A 91 4.792 -9.994 9.181 1.00 0.00 N ATOM 1361 CA ILE A 91 5.785 -9.612 8.186 1.00 0.00 C ATOM 1362 C ILE A 91 5.221 -8.554 7.241 1.00 0.00 C ATOM 1363 O ILE A 91 4.053 -8.613 6.858 1.00 0.00 O ATOM 1364 CB ILE A 91 6.258 -10.830 7.371 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.355 -10.419 6.385 1.00 0.00 C ATOM 1366 CG2 ILE A 91 5.085 -11.467 6.639 1.00 0.00 C ATOM 1367 CD1 ILE A 91 8.119 -11.587 5.803 1.00 0.00 C ATOM 0 H ILE A 91 3.832 -9.999 8.836 1.00 0.00 H new ATOM 0 HA ILE A 91 6.640 -9.198 8.721 1.00 0.00 H new ATOM 0 HB ILE A 91 6.674 -11.568 8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.905 -9.849 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.055 -9.754 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.436 -12.326 6.068 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.338 -11.793 7.363 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.640 -10.738 5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.879 -11.218 5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.599 -12.145 6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.431 -12.241 5.268 1.00 0.00 H new ATOM 1379 N ARG A 92 6.049 -7.581 6.879 1.00 0.00 N ATOM 1380 CA ARG A 92 5.617 -6.506 6.000 1.00 0.00 C ATOM 1381 C ARG A 92 6.635 -6.258 4.890 1.00 0.00 C ATOM 1382 O ARG A 92 7.827 -6.100 5.151 1.00 0.00 O ATOM 1383 CB ARG A 92 5.398 -5.226 6.814 1.00 0.00 C ATOM 1384 CG ARG A 92 5.563 -3.947 6.009 1.00 0.00 C ATOM 1385 CD ARG A 92 6.104 -2.814 6.864 1.00 0.00 C ATOM 1386 NE ARG A 92 5.127 -2.353 7.847 1.00 0.00 N ATOM 1387 CZ ARG A 92 4.492 -1.187 7.765 1.00 0.00 C ATOM 1388 NH1 ARG A 92 4.727 -0.367 6.749 1.00 0.00 N ATOM 1389 NH2 ARG A 92 3.617 -0.841 8.700 1.00 0.00 N ATOM 0 H ARG A 92 7.021 -7.516 7.181 1.00 0.00 H new ATOM 0 HA ARG A 92 4.678 -6.802 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.396 -5.247 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.101 -5.212 7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.239 -4.127 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.602 -3.657 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.006 -3.147 7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.392 -1.982 6.222 1.00 0.00 H new ATOM 0 HE ARG A 92 4.920 -2.959 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.397 -0.630 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.238 0.526 6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.431 -1.469 9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 92 3.130 0.053 8.637 1.00 0.00 H new ATOM 1403 N TYR A 93 6.143 -6.158 3.659 1.00 0.00 N ATOM 1404 CA TYR A 93 6.996 -5.888 2.509 1.00 0.00 C ATOM 1405 C TYR A 93 6.525 -4.625 1.802 1.00 0.00 C ATOM 1406 O TYR A 93 5.422 -4.145 2.049 1.00 0.00 O ATOM 1407 CB TYR A 93 6.982 -7.064 1.527 1.00 0.00 C ATOM 1408 CG TYR A 93 6.162 -8.252 1.979 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.624 -9.107 2.973 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.936 -8.535 1.392 1.00 0.00 C ATOM 1411 CE1 TYR A 93 5.879 -10.198 3.379 1.00 0.00 C ATOM 1412 CE2 TYR A 93 4.185 -9.624 1.792 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.661 -10.450 2.788 1.00 0.00 C ATOM 1414 OH TYR A 93 3.916 -11.536 3.190 1.00 0.00 O ATOM 0 H TYR A 93 5.154 -6.261 3.433 1.00 0.00 H new ATOM 0 HA TYR A 93 8.017 -5.749 2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.596 -6.716 0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 93 8.008 -7.391 1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.581 -8.916 3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.562 -7.892 0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.250 -10.850 4.156 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.231 -9.827 1.327 1.00 0.00 H new ATOM 0 HH TYR A 93 3.021 -11.238 3.456 1.00 0.00 H new ATOM 1424 N LEU A 94 7.369 -4.076 0.938 1.00 0.00 N ATOM 1425 CA LEU A 94 7.027 -2.849 0.223 1.00 0.00 C ATOM 1426 C LEU A 94 7.773 -2.750 -1.102 1.00 0.00 C ATOM 1427 O LEU A 94 8.808 -3.388 -1.294 1.00 0.00 O ATOM 1428 CB LEU A 94 7.344 -1.627 1.088 1.00 0.00 C ATOM 1429 CG LEU A 94 8.612 -1.747 1.938 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.326 -0.406 2.021 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.273 -2.260 3.330 1.00 0.00 C ATOM 0 H LEU A 94 8.289 -4.456 0.715 1.00 0.00 H new ATOM 0 HA LEU A 94 5.958 -2.876 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.441 -0.757 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.498 -1.439 1.749 1.00 0.00 H new ATOM 0 HG LEU A 94 9.281 -2.463 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.225 -0.509 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.601 -0.078 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.664 0.331 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.186 -2.339 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.585 -1.567 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.805 -3.241 3.252 1.00 0.00 H new ATOM 1443 N ILE A 95 7.234 -1.943 -2.011 1.00 0.00 N ATOM 1444 CA ILE A 95 7.840 -1.752 -3.323 1.00 0.00 C ATOM 1445 C ILE A 95 7.880 -0.271 -3.695 1.00 0.00 C ATOM 1446 O ILE A 95 7.182 0.545 -3.095 1.00 0.00 O ATOM 1447 CB ILE A 95 7.091 -2.557 -4.417 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.124 -1.666 -5.207 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.333 -3.720 -3.795 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.693 -1.161 -6.515 1.00 0.00 C ATOM 0 H ILE A 95 6.377 -1.410 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 95 8.862 -2.126 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 95 7.838 -2.945 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.211 -2.226 -5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.843 -0.813 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.813 -4.275 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.035 -4.381 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.608 -3.339 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.953 -0.538 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.589 -0.572 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.947 -2.008 -7.152 1.00 0.00 H new ATOM 1462 N GLN A 96 8.712 0.069 -4.673 1.00 0.00 N ATOM 1463 CA GLN A 96 8.833 1.449 -5.129 1.00 0.00 C ATOM 1464 C GLN A 96 9.315 1.506 -6.578 1.00 0.00 C ATOM 1465 O GLN A 96 9.977 0.585 -7.056 1.00 0.00 O ATOM 1466 CB GLN A 96 9.802 2.219 -4.231 1.00 0.00 C ATOM 1467 CG GLN A 96 11.188 1.601 -4.164 1.00 0.00 C ATOM 1468 CD GLN A 96 12.290 2.642 -4.123 1.00 0.00 C ATOM 1469 OE1 GLN A 96 12.801 2.980 -3.055 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.661 3.157 -5.289 1.00 0.00 N ATOM 0 H GLN A 96 9.313 -0.592 -5.165 1.00 0.00 H new ATOM 0 HA GLN A 96 7.847 1.910 -5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.887 3.243 -4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.388 2.272 -3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.257 0.969 -3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.336 0.955 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.210 2.847 -6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.397 3.862 -5.324 1.00 0.00 H new ATOM 1479 N LYS A 97 9.010 2.608 -7.259 1.00 0.00 N ATOM 1480 CA LYS A 97 9.427 2.790 -8.646 1.00 0.00 C ATOM 1481 C LYS A 97 10.245 4.069 -8.798 1.00 0.00 C ATOM 1482 O LYS A 97 11.153 4.093 -9.656 1.00 0.00 O ATOM 1483 CB LYS A 97 8.200 2.827 -9.566 1.00 0.00 C ATOM 1484 CG LYS A 97 8.413 3.596 -10.863 1.00 0.00 C ATOM 1485 CD LYS A 97 9.157 2.762 -11.892 1.00 0.00 C ATOM 1486 CE LYS A 97 10.117 3.612 -12.708 1.00 0.00 C ATOM 1487 NZ LYS A 97 9.782 3.595 -14.158 1.00 0.00 N ATOM 1488 OXT LYS A 97 9.979 5.033 -8.049 1.00 0.00 O ATOM 0 H LYS A 97 8.476 3.387 -6.873 1.00 0.00 H new ATOM 0 HA LYS A 97 10.055 1.947 -8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.910 1.804 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.367 3.275 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.448 3.900 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.974 4.508 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.709 1.969 -11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.441 2.279 -12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.093 4.639 -12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.134 3.247 -12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.604 3.917 -14.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.531 2.627 -14.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.977 4.229 -14.336 1.00 0.00 H new