USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 36 GLN : amide:sc= -0.72! C(o=-1.5!,f=-7.7!) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.776 K(o=-1.5,f=-5.7!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.0421 USER MOD Set 2.2: A 113 ASN : amide:sc= -1.33 K(o=-1.3,f=1.7) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 119:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.315 K(o=-0.32,f=-1.1) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.492 USER MOD Single : A 32 TYR OH : rot 180:sc= 0.0464 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00311 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0379 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.401 X(o=0.4,f=0) USER MOD Single : A 62 SER OG : rot 67:sc= -0.267 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -103:sc= 1.22 USER MOD Single : A 81 THR OG1 : rot 106:sc= 0.952 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 122:sc= -0.542! USER MOD Single : A 90 THR OG1 : rot -29:sc= 0.153 USER MOD Single : A 94 GLN : amide:sc=-0.00248 X(o=-0.0025,f=-0.0068) USER MOD Single : A 98 SER OG : rot 180:sc= -0.0985 USER MOD Single : A 103 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.6!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.621 5.501 16.025 1.00 0.00 N ATOM 2 CA ALA A 1 -16.197 4.392 15.235 1.00 0.00 C ATOM 3 C ALA A 1 -15.105 3.419 14.822 1.00 0.00 C ATOM 4 O ALA A 1 -14.068 3.827 14.300 1.00 0.00 O ATOM 5 CB ALA A 1 -16.911 4.931 14.006 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.377 6.159 16.302 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.165 5.119 16.878 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.915 6.006 15.452 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.922 3.865 15.855 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.329 4.102 13.435 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.714 5.600 14.316 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.202 5.478 13.384 1.00 0.00 H new ATOM 11 N ALA A 2 -15.343 2.136 15.050 1.00 0.00 N ATOM 12 CA ALA A 2 -14.375 1.108 14.702 1.00 0.00 C ATOM 13 C ALA A 2 -14.652 0.544 13.313 1.00 0.00 C ATOM 14 O ALA A 2 -15.707 -0.044 13.072 1.00 0.00 O ATOM 15 CB ALA A 2 -14.388 -0.005 15.738 1.00 0.00 C ATOM 0 H ALA A 2 -16.200 1.782 15.475 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.385 1.565 14.691 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.658 -0.766 15.463 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.134 0.405 16.716 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.381 -0.452 15.779 1.00 0.00 H new ATOM 21 N PRO A 3 -13.720 0.737 12.371 1.00 0.00 N ATOM 22 CA PRO A 3 -13.866 0.237 11.008 1.00 0.00 C ATOM 23 C PRO A 3 -13.494 -1.238 10.900 1.00 0.00 C ATOM 24 O PRO A 3 -12.928 -1.815 11.829 1.00 0.00 O ATOM 25 CB PRO A 3 -12.885 1.102 10.220 1.00 0.00 C ATOM 26 CG PRO A 3 -11.806 1.429 11.195 1.00 0.00 C ATOM 27 CD PRO A 3 -12.450 1.462 12.559 1.00 0.00 C ATOM 0 HA PRO A 3 -14.893 0.297 10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.490 0.567 9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.366 2.005 9.843 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.013 0.682 11.159 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.349 2.390 10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.822 0.980 13.309 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.620 2.485 12.896 1.00 0.00 H new ATOM 35 N THR A 4 -13.807 -1.842 9.768 1.00 0.00 N ATOM 36 CA THR A 4 -13.504 -3.244 9.549 1.00 0.00 C ATOM 37 C THR A 4 -12.517 -3.403 8.401 1.00 0.00 C ATOM 38 O THR A 4 -12.891 -3.332 7.228 1.00 0.00 O ATOM 39 CB THR A 4 -14.780 -4.044 9.239 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.869 -3.541 10.027 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.577 -5.525 9.528 1.00 0.00 C ATOM 0 H THR A 4 -14.272 -1.382 8.985 1.00 0.00 H new ATOM 0 HA THR A 4 -13.060 -3.633 10.465 1.00 0.00 H new ATOM 0 HB THR A 4 -15.010 -3.929 8.180 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.681 -4.051 9.826 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.494 -6.069 9.301 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.765 -5.908 8.910 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.327 -5.659 10.580 1.00 0.00 H new ATOM 49 N ALA A 5 -11.252 -3.592 8.742 1.00 0.00 N ATOM 50 CA ALA A 5 -10.218 -3.759 7.736 1.00 0.00 C ATOM 51 C ALA A 5 -9.971 -5.238 7.465 1.00 0.00 C ATOM 52 O ALA A 5 -9.505 -5.967 8.336 1.00 0.00 O ATOM 53 CB ALA A 5 -8.934 -3.076 8.175 1.00 0.00 C ATOM 0 H ALA A 5 -10.918 -3.633 9.705 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.558 -3.292 6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.170 -3.211 7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.119 -2.012 8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.590 -3.515 9.112 1.00 0.00 H new ATOM 59 N THR A 6 -10.284 -5.673 6.256 1.00 0.00 N ATOM 60 CA THR A 6 -10.105 -7.063 5.878 1.00 0.00 C ATOM 61 C THR A 6 -9.170 -7.186 4.680 1.00 0.00 C ATOM 62 O THR A 6 -9.602 -7.133 3.527 1.00 0.00 O ATOM 63 CB THR A 6 -11.455 -7.721 5.543 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.475 -7.204 6.411 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.373 -9.235 5.689 1.00 0.00 C ATOM 0 H THR A 6 -10.664 -5.081 5.518 1.00 0.00 H new ATOM 0 HA THR A 6 -9.661 -7.578 6.730 1.00 0.00 H new ATOM 0 HB THR A 6 -11.704 -7.488 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.333 -7.624 6.194 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.340 -9.677 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.615 -9.626 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.106 -9.488 6.715 1.00 0.00 H new ATOM 73 N VAL A 7 -7.885 -7.335 4.954 1.00 0.00 N ATOM 74 CA VAL A 7 -6.898 -7.465 3.896 1.00 0.00 C ATOM 75 C VAL A 7 -6.303 -8.868 3.885 1.00 0.00 C ATOM 76 O VAL A 7 -6.207 -9.519 4.927 1.00 0.00 O ATOM 77 CB VAL A 7 -5.763 -6.423 4.035 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.325 -5.009 4.037 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.945 -6.667 5.294 1.00 0.00 C ATOM 0 H VAL A 7 -7.501 -7.369 5.899 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.415 -7.282 2.954 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.104 -6.534 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.509 -4.293 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.856 -4.827 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.013 -4.892 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.155 -5.920 5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.592 -6.595 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.501 -7.662 5.252 1.00 0.00 H new ATOM 89 N THR A 8 -5.922 -9.333 2.707 1.00 0.00 N ATOM 90 CA THR A 8 -5.332 -10.654 2.560 1.00 0.00 C ATOM 91 C THR A 8 -3.830 -10.541 2.295 1.00 0.00 C ATOM 92 O THR A 8 -3.411 -10.263 1.169 1.00 0.00 O ATOM 93 CB THR A 8 -5.998 -11.441 1.411 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.415 -11.207 1.412 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.730 -12.936 1.549 1.00 0.00 C ATOM 0 H THR A 8 -6.011 -8.813 1.834 1.00 0.00 H new ATOM 0 HA THR A 8 -5.498 -11.194 3.492 1.00 0.00 H new ATOM 0 HB THR A 8 -5.571 -11.095 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.830 -11.708 0.679 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.209 -13.469 0.728 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.656 -13.117 1.521 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.133 -13.292 2.497 1.00 0.00 H new ATOM 103 N PRO A 9 -2.997 -10.745 3.326 1.00 0.00 N ATOM 104 CA PRO A 9 -1.539 -10.654 3.189 1.00 0.00 C ATOM 105 C PRO A 9 -0.954 -11.808 2.379 1.00 0.00 C ATOM 106 O PRO A 9 -1.461 -12.930 2.410 1.00 0.00 O ATOM 107 CB PRO A 9 -1.041 -10.701 4.634 1.00 0.00 C ATOM 108 CG PRO A 9 -2.105 -11.427 5.382 1.00 0.00 C ATOM 109 CD PRO A 9 -3.404 -11.087 4.704 1.00 0.00 C ATOM 0 HA PRO A 9 -1.237 -9.755 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.084 -11.218 4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.891 -9.698 5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.927 -12.502 5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.121 -11.123 6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.097 -11.928 4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.905 -10.252 5.193 1.00 0.00 H new ATOM 117 N SER A 10 0.115 -11.525 1.652 1.00 0.00 N ATOM 118 CA SER A 10 0.775 -12.523 0.826 1.00 0.00 C ATOM 119 C SER A 10 1.908 -13.215 1.584 1.00 0.00 C ATOM 120 O SER A 10 2.915 -13.606 0.993 1.00 0.00 O ATOM 121 CB SER A 10 1.310 -11.847 -0.435 1.00 0.00 C ATOM 122 OG SER A 10 1.638 -10.491 -0.173 1.00 0.00 O ATOM 0 H SER A 10 0.548 -10.602 1.618 1.00 0.00 H new ATOM 0 HA SER A 10 0.051 -13.291 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.192 -12.378 -0.792 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.563 -11.900 -1.227 1.00 0.00 H new ATOM 0 HG SER A 10 1.981 -10.073 -0.991 1.00 0.00 H new ATOM 128 N SER A 11 1.739 -13.361 2.893 1.00 0.00 N ATOM 129 CA SER A 11 2.739 -14.005 3.725 1.00 0.00 C ATOM 130 C SER A 11 2.851 -15.490 3.380 1.00 0.00 C ATOM 131 O SER A 11 1.864 -16.230 3.432 1.00 0.00 O ATOM 132 CB SER A 11 2.380 -13.818 5.199 1.00 0.00 C ATOM 133 OG SER A 11 2.024 -12.470 5.463 1.00 0.00 O ATOM 0 H SER A 11 0.914 -13.039 3.399 1.00 0.00 H new ATOM 0 HA SER A 11 3.708 -13.543 3.537 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.552 -14.476 5.463 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.226 -14.105 5.823 1.00 0.00 H new ATOM 0 HG SER A 11 1.796 -12.372 6.411 1.00 0.00 H new ATOM 139 N GLY A 12 4.048 -15.908 2.992 1.00 0.00 N ATOM 140 CA GLY A 12 4.276 -17.293 2.642 1.00 0.00 C ATOM 141 C GLY A 12 4.098 -17.542 1.162 1.00 0.00 C ATOM 142 O GLY A 12 3.754 -18.648 0.745 1.00 0.00 O ATOM 0 H GLY A 12 4.869 -15.308 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.285 -17.580 2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.587 -17.926 3.201 1.00 0.00 H new ATOM 146 N LEU A 13 4.325 -16.511 0.364 1.00 0.00 N ATOM 147 CA LEU A 13 4.192 -16.616 -1.079 1.00 0.00 C ATOM 148 C LEU A 13 5.376 -15.954 -1.771 1.00 0.00 C ATOM 149 O LEU A 13 6.251 -15.390 -1.112 1.00 0.00 O ATOM 150 CB LEU A 13 2.875 -15.979 -1.530 1.00 0.00 C ATOM 151 CG LEU A 13 1.629 -16.813 -1.232 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.393 -15.932 -1.172 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.458 -17.901 -2.279 1.00 0.00 C ATOM 0 H LEU A 13 4.604 -15.587 0.694 1.00 0.00 H new ATOM 0 HA LEU A 13 4.182 -17.670 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.771 -15.009 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.925 -15.795 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 13 1.757 -17.285 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.482 -16.546 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.514 -15.188 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.258 -15.429 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.567 -18.486 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.353 -17.445 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.332 -18.553 -2.272 1.00 0.00 H new ATOM 165 N SER A 14 5.414 -16.045 -3.089 1.00 0.00 N ATOM 166 CA SER A 14 6.496 -15.453 -3.864 1.00 0.00 C ATOM 167 C SER A 14 6.085 -14.088 -4.414 1.00 0.00 C ATOM 168 O SER A 14 5.085 -13.511 -3.982 1.00 0.00 O ATOM 169 CB SER A 14 6.876 -16.383 -5.015 1.00 0.00 C ATOM 170 OG SER A 14 6.625 -17.740 -4.684 1.00 0.00 O ATOM 0 H SER A 14 4.708 -16.524 -3.648 1.00 0.00 H new ATOM 0 HA SER A 14 7.356 -15.316 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.310 -16.113 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.931 -16.254 -5.257 1.00 0.00 H new ATOM 0 HG SER A 14 6.876 -18.313 -5.439 1.00 0.00 H new ATOM 176 N ASP A 15 6.860 -13.573 -5.360 1.00 0.00 N ATOM 177 CA ASP A 15 6.561 -12.292 -5.983 1.00 0.00 C ATOM 178 C ASP A 15 5.488 -12.481 -7.047 1.00 0.00 C ATOM 179 O ASP A 15 5.221 -13.605 -7.474 1.00 0.00 O ATOM 180 CB ASP A 15 7.821 -11.680 -6.602 1.00 0.00 C ATOM 181 CG ASP A 15 8.424 -12.552 -7.686 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.999 -13.610 -7.350 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.345 -12.181 -8.871 1.00 0.00 O ATOM 0 H ASP A 15 7.703 -14.026 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 15 6.194 -11.607 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.577 -10.704 -7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.562 -11.516 -5.820 1.00 0.00 H new ATOM 188 N GLY A 16 4.862 -11.389 -7.458 1.00 0.00 N ATOM 189 CA GLY A 16 3.815 -11.473 -8.458 1.00 0.00 C ATOM 190 C GLY A 16 2.494 -11.896 -7.849 1.00 0.00 C ATOM 191 O GLY A 16 1.533 -12.195 -8.558 1.00 0.00 O ATOM 0 H GLY A 16 5.059 -10.447 -7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.698 -10.505 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.105 -12.186 -9.230 1.00 0.00 H new ATOM 195 N THR A 17 2.454 -11.928 -6.525 1.00 0.00 N ATOM 196 CA THR A 17 1.254 -12.315 -5.804 1.00 0.00 C ATOM 197 C THR A 17 0.296 -11.134 -5.690 1.00 0.00 C ATOM 198 O THR A 17 0.722 -9.986 -5.527 1.00 0.00 O ATOM 199 CB THR A 17 1.602 -12.843 -4.395 1.00 0.00 C ATOM 200 OG1 THR A 17 2.541 -13.920 -4.501 1.00 0.00 O ATOM 201 CG2 THR A 17 0.359 -13.327 -3.657 1.00 0.00 C ATOM 0 H THR A 17 3.245 -11.689 -5.927 1.00 0.00 H new ATOM 0 HA THR A 17 0.770 -13.114 -6.365 1.00 0.00 H new ATOM 0 HB THR A 17 2.038 -12.021 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.366 -13.683 -4.028 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.641 -13.692 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.346 -12.502 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.108 -14.134 -4.222 1.00 0.00 H new ATOM 209 N VAL A 18 -0.993 -11.419 -5.785 1.00 0.00 N ATOM 210 CA VAL A 18 -2.011 -10.392 -5.694 1.00 0.00 C ATOM 211 C VAL A 18 -2.496 -10.247 -4.255 1.00 0.00 C ATOM 212 O VAL A 18 -2.875 -11.227 -3.609 1.00 0.00 O ATOM 213 CB VAL A 18 -3.206 -10.703 -6.619 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.213 -9.563 -6.607 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.721 -10.981 -8.034 1.00 0.00 C ATOM 0 H VAL A 18 -1.358 -12.361 -5.926 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.562 -9.453 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.707 -11.596 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.046 -9.806 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.584 -9.416 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.731 -8.648 -6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.575 -11.199 -8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.194 -10.107 -8.416 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.046 -11.837 -8.026 1.00 0.00 H new ATOM 225 N VAL A 19 -2.449 -9.028 -3.746 1.00 0.00 N ATOM 226 CA VAL A 19 -2.886 -8.741 -2.395 1.00 0.00 C ATOM 227 C VAL A 19 -4.243 -8.052 -2.413 1.00 0.00 C ATOM 228 O VAL A 19 -4.392 -6.979 -3.000 1.00 0.00 O ATOM 229 CB VAL A 19 -1.876 -7.837 -1.654 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.349 -7.545 -0.235 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.491 -8.471 -1.645 1.00 0.00 C ATOM 0 H VAL A 19 -2.108 -8.214 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.958 -9.693 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.812 -6.890 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.622 -6.907 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.313 -7.038 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.451 -8.481 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.205 -7.818 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.536 -9.436 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.149 -8.613 -2.670 1.00 0.00 H new ATOM 241 N LYS A 20 -5.230 -8.681 -1.794 1.00 0.00 N ATOM 242 CA LYS A 20 -6.563 -8.110 -1.727 1.00 0.00 C ATOM 243 C LYS A 20 -6.654 -7.164 -0.540 1.00 0.00 C ATOM 244 O LYS A 20 -6.423 -7.564 0.604 1.00 0.00 O ATOM 245 CB LYS A 20 -7.626 -9.204 -1.607 1.00 0.00 C ATOM 246 CG LYS A 20 -9.021 -8.662 -1.322 1.00 0.00 C ATOM 247 CD LYS A 20 -10.068 -9.761 -1.310 1.00 0.00 C ATOM 248 CE LYS A 20 -10.440 -10.185 -2.719 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.527 -11.196 -2.727 1.00 0.00 N ATOM 0 H LYS A 20 -5.132 -9.585 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.749 -7.559 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.650 -9.780 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.341 -9.891 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.021 -8.151 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.283 -7.920 -2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.689 -10.621 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.958 -9.412 -0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.754 -9.311 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.561 -10.593 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.750 -11.458 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.219 -12.041 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.374 -10.798 -2.274 1.00 0.00 H new ATOM 263 N VAL A 21 -6.971 -5.914 -0.817 1.00 0.00 N ATOM 264 CA VAL A 21 -7.094 -4.911 0.222 1.00 0.00 C ATOM 265 C VAL A 21 -8.527 -4.409 0.289 1.00 0.00 C ATOM 266 O VAL A 21 -9.037 -3.843 -0.676 1.00 0.00 O ATOM 267 CB VAL A 21 -6.135 -3.723 -0.019 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.259 -2.688 1.087 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.700 -4.217 -0.140 1.00 0.00 C ATOM 0 H VAL A 21 -7.149 -5.568 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.822 -5.376 1.170 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.415 -3.243 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.573 -1.863 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.281 -2.310 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.012 -3.147 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.036 -3.369 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.411 -4.725 0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.623 -4.911 -0.977 1.00 0.00 H new ATOM 279 N ALA A 22 -9.183 -4.656 1.415 1.00 0.00 N ATOM 280 CA ALA A 22 -10.559 -4.229 1.612 1.00 0.00 C ATOM 281 C ALA A 22 -10.719 -3.554 2.967 1.00 0.00 C ATOM 282 O ALA A 22 -10.252 -4.067 3.986 1.00 0.00 O ATOM 283 CB ALA A 22 -11.504 -5.416 1.498 1.00 0.00 C ATOM 0 H ALA A 22 -8.780 -5.153 2.209 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.811 -3.508 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.530 -5.080 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.409 -5.863 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.251 -6.157 2.256 1.00 0.00 H new ATOM 289 N GLY A 23 -11.368 -2.401 2.973 1.00 0.00 N ATOM 290 CA GLY A 23 -11.577 -1.674 4.206 1.00 0.00 C ATOM 291 C GLY A 23 -12.963 -1.072 4.296 1.00 0.00 C ATOM 292 O GLY A 23 -13.332 -0.223 3.486 1.00 0.00 O ATOM 0 H GLY A 23 -11.755 -1.954 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.420 -2.345 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.834 -0.881 4.287 1.00 0.00 H new ATOM 296 N ALA A 24 -13.734 -1.522 5.276 1.00 0.00 N ATOM 297 CA ALA A 24 -15.083 -1.022 5.488 1.00 0.00 C ATOM 298 C ALA A 24 -15.092 -0.041 6.651 1.00 0.00 C ATOM 299 O ALA A 24 -14.376 -0.231 7.635 1.00 0.00 O ATOM 300 CB ALA A 24 -16.048 -2.172 5.750 1.00 0.00 C ATOM 0 H ALA A 24 -13.444 -2.239 5.941 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.412 -0.505 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.052 -1.776 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.053 -2.846 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.731 -2.718 6.639 1.00 0.00 H new ATOM 306 N GLY A 25 -15.888 1.006 6.535 1.00 0.00 N ATOM 307 CA GLY A 25 -15.959 2.002 7.584 1.00 0.00 C ATOM 308 C GLY A 25 -14.969 3.125 7.349 1.00 0.00 C ATOM 309 O GLY A 25 -14.503 3.773 8.291 1.00 0.00 O ATOM 0 H GLY A 25 -16.489 1.187 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.969 2.410 7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.758 1.533 8.547 1.00 0.00 H new ATOM 313 N LEU A 26 -14.648 3.352 6.082 1.00 0.00 N ATOM 314 CA LEU A 26 -13.702 4.391 5.701 1.00 0.00 C ATOM 315 C LEU A 26 -14.438 5.650 5.264 1.00 0.00 C ATOM 316 O LEU A 26 -15.666 5.713 5.331 1.00 0.00 O ATOM 317 CB LEU A 26 -12.795 3.883 4.577 1.00 0.00 C ATOM 318 CG LEU A 26 -11.880 2.719 4.961 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.087 2.247 3.752 1.00 0.00 C ATOM 320 CD2 LEU A 26 -10.943 3.123 6.091 1.00 0.00 C ATOM 0 H LEU A 26 -15.032 2.826 5.297 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.086 4.640 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.419 3.574 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.178 4.710 4.227 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.501 1.894 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.441 1.418 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.774 1.916 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.477 3.068 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.301 2.281 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.328 3.964 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.529 3.413 6.963 1.00 0.00 H new ATOM 332 N GLN A 27 -13.683 6.648 4.824 1.00 0.00 N ATOM 333 CA GLN A 27 -14.264 7.907 4.382 1.00 0.00 C ATOM 334 C GLN A 27 -14.894 7.748 3.001 1.00 0.00 C ATOM 335 O GLN A 27 -14.201 7.771 1.982 1.00 0.00 O ATOM 336 CB GLN A 27 -13.195 9.008 4.364 1.00 0.00 C ATOM 337 CG GLN A 27 -13.725 10.394 4.021 1.00 0.00 C ATOM 338 CD GLN A 27 -14.879 10.825 4.901 1.00 0.00 C ATOM 339 OE1 GLN A 27 -14.997 10.408 6.052 1.00 0.00 O ATOM 340 NE2 GLN A 27 -15.741 11.669 4.362 1.00 0.00 N ATOM 0 H GLN A 27 -12.666 6.609 4.764 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.046 8.195 5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.715 9.048 5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.425 8.738 3.642 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.916 11.119 4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.046 10.406 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.608 11.991 3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.540 11.998 4.904 1.00 0.00 H new ATOM 349 N ALA A 28 -16.213 7.580 2.984 1.00 0.00 N ATOM 350 CA ALA A 28 -16.959 7.403 1.743 1.00 0.00 C ATOM 351 C ALA A 28 -16.835 8.632 0.851 1.00 0.00 C ATOM 352 O ALA A 28 -17.073 9.757 1.290 1.00 0.00 O ATOM 353 CB ALA A 28 -18.421 7.105 2.046 1.00 0.00 C ATOM 0 H ALA A 28 -16.791 7.563 3.824 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.534 6.555 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.967 6.975 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.491 6.192 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.853 7.934 2.606 1.00 0.00 H new ATOM 359 N GLY A 29 -16.451 8.408 -0.398 1.00 0.00 N ATOM 360 CA GLY A 29 -16.298 9.503 -1.334 1.00 0.00 C ATOM 361 C GLY A 29 -14.855 9.935 -1.486 1.00 0.00 C ATOM 362 O GLY A 29 -14.544 10.810 -2.294 1.00 0.00 O ATOM 0 H GLY A 29 -16.242 7.486 -0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.689 9.204 -2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.895 10.351 -0.998 1.00 0.00 H new ATOM 366 N THR A 30 -13.974 9.324 -0.706 1.00 0.00 N ATOM 367 CA THR A 30 -12.556 9.640 -0.750 1.00 0.00 C ATOM 368 C THR A 30 -11.773 8.486 -1.375 1.00 0.00 C ATOM 369 O THR A 30 -12.147 7.320 -1.224 1.00 0.00 O ATOM 370 CB THR A 30 -12.022 9.940 0.670 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.694 11.088 1.202 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.519 10.194 0.669 1.00 0.00 C ATOM 0 H THR A 30 -14.221 8.601 -0.030 1.00 0.00 H new ATOM 0 HA THR A 30 -12.421 10.529 -1.366 1.00 0.00 H new ATOM 0 HB THR A 30 -12.216 9.064 1.289 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.163 11.468 1.933 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.184 10.401 1.686 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.001 9.313 0.289 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.295 11.050 0.032 1.00 0.00 H new ATOM 380 N ALA A 31 -10.709 8.818 -2.096 1.00 0.00 N ATOM 381 CA ALA A 31 -9.875 7.816 -2.742 1.00 0.00 C ATOM 382 C ALA A 31 -8.730 7.399 -1.827 1.00 0.00 C ATOM 383 O ALA A 31 -8.077 8.242 -1.211 1.00 0.00 O ATOM 384 CB ALA A 31 -9.334 8.348 -4.063 1.00 0.00 C ATOM 0 H ALA A 31 -10.403 9.779 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.488 6.938 -2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.712 7.587 -4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.165 8.597 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.737 9.241 -3.878 1.00 0.00 H new ATOM 390 N TYR A 32 -8.501 6.098 -1.736 1.00 0.00 N ATOM 391 CA TYR A 32 -7.440 5.560 -0.901 1.00 0.00 C ATOM 392 C TYR A 32 -6.308 5.015 -1.764 1.00 0.00 C ATOM 393 O TYR A 32 -6.536 4.207 -2.667 1.00 0.00 O ATOM 394 CB TYR A 32 -7.983 4.462 0.023 1.00 0.00 C ATOM 395 CG TYR A 32 -8.720 4.993 1.236 1.00 0.00 C ATOM 396 CD1 TYR A 32 -9.906 5.706 1.103 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.225 4.783 2.519 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.577 6.195 2.208 1.00 0.00 C ATOM 399 CE2 TYR A 32 -8.892 5.268 3.630 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.068 5.972 3.469 1.00 0.00 C ATOM 401 OH TYR A 32 -10.739 6.453 4.572 1.00 0.00 O ATOM 0 H TYR A 32 -9.041 5.391 -2.235 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.048 6.367 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.655 3.820 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.154 3.838 0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.311 5.881 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.305 4.232 2.650 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.496 6.749 2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.494 5.096 4.619 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.249 6.210 5.385 1.00 0.00 H new ATOM 411 N ASP A 33 -5.100 5.474 -1.483 1.00 0.00 N ATOM 412 CA ASP A 33 -3.909 5.053 -2.209 1.00 0.00 C ATOM 413 C ASP A 33 -3.369 3.777 -1.588 1.00 0.00 C ATOM 414 O ASP A 33 -3.041 3.751 -0.399 1.00 0.00 O ATOM 415 CB ASP A 33 -2.841 6.148 -2.159 1.00 0.00 C ATOM 416 CG ASP A 33 -2.164 6.373 -3.495 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.658 7.213 -4.279 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.128 5.733 -3.761 1.00 0.00 O ATOM 0 H ASP A 33 -4.915 6.151 -0.743 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.171 4.871 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.299 7.080 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.089 5.881 -1.417 1.00 0.00 H new ATOM 423 N VAL A 34 -3.296 2.718 -2.379 1.00 0.00 N ATOM 424 CA VAL A 34 -2.817 1.436 -1.889 1.00 0.00 C ATOM 425 C VAL A 34 -1.718 0.875 -2.785 1.00 0.00 C ATOM 426 O VAL A 34 -1.894 0.756 -3.999 1.00 0.00 O ATOM 427 CB VAL A 34 -3.960 0.395 -1.808 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.490 -0.861 -1.088 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.195 0.978 -1.130 1.00 0.00 C ATOM 0 H VAL A 34 -3.563 2.721 -3.364 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.420 1.617 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.239 0.125 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.307 -1.581 -1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.652 -1.299 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.174 -0.604 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.979 0.222 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.940 1.292 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.550 1.838 -1.698 1.00 0.00 H new ATOM 439 N GLY A 35 -0.578 0.551 -2.186 1.00 0.00 N ATOM 440 CA GLY A 35 0.518 -0.027 -2.935 1.00 0.00 C ATOM 441 C GLY A 35 1.455 -0.795 -2.032 1.00 0.00 C ATOM 442 O GLY A 35 1.230 -0.870 -0.820 1.00 0.00 O ATOM 0 H GLY A 35 -0.394 0.680 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.125 -0.691 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.068 0.763 -3.446 1.00 0.00 H new ATOM 446 N GLN A 36 2.492 -1.388 -2.606 1.00 0.00 N ATOM 447 CA GLN A 36 3.466 -2.122 -1.812 1.00 0.00 C ATOM 448 C GLN A 36 4.531 -1.147 -1.344 1.00 0.00 C ATOM 449 O GLN A 36 5.117 -0.422 -2.149 1.00 0.00 O ATOM 450 CB GLN A 36 4.101 -3.273 -2.603 1.00 0.00 C ATOM 451 CG GLN A 36 4.698 -2.847 -3.934 1.00 0.00 C ATOM 452 CD GLN A 36 5.673 -3.853 -4.507 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.740 -4.038 -5.718 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.455 -4.491 -3.649 1.00 0.00 N ATOM 0 H GLN A 36 2.680 -1.376 -3.609 1.00 0.00 H new ATOM 0 HA GLN A 36 2.960 -2.572 -0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.881 -3.732 -1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.346 -4.038 -2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.892 -2.685 -4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.207 -1.892 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.369 -4.310 -2.649 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.143 -5.163 -3.988 1.00 0.00 H new ATOM 463 N CYS A 37 4.764 -1.106 -0.050 1.00 0.00 N ATOM 464 CA CYS A 37 5.731 -0.182 0.500 1.00 0.00 C ATOM 465 C CYS A 37 6.660 -0.882 1.479 1.00 0.00 C ATOM 466 O CYS A 37 6.329 -1.934 2.021 1.00 0.00 O ATOM 467 CB CYS A 37 4.993 0.973 1.187 1.00 0.00 C ATOM 468 SG CYS A 37 3.248 1.138 0.670 1.00 0.00 S ATOM 0 H CYS A 37 4.299 -1.699 0.638 1.00 0.00 H new ATOM 0 HA CYS A 37 6.345 0.212 -0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.031 0.826 2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.516 1.905 0.974 1.00 0.00 H new ATOM 473 N ALA A 38 7.825 -0.296 1.689 1.00 0.00 N ATOM 474 CA ALA A 38 8.809 -0.848 2.602 1.00 0.00 C ATOM 475 C ALA A 38 9.746 0.254 3.068 1.00 0.00 C ATOM 476 O ALA A 38 9.591 1.411 2.664 1.00 0.00 O ATOM 477 CB ALA A 38 9.586 -1.972 1.930 1.00 0.00 C ATOM 0 H ALA A 38 8.114 0.570 1.235 1.00 0.00 H new ATOM 0 HA ALA A 38 8.299 -1.265 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.320 -2.375 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.897 -2.762 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.098 -1.584 1.049 1.00 0.00 H new ATOM 483 N TRP A 39 10.704 -0.099 3.915 1.00 0.00 N ATOM 484 CA TRP A 39 11.664 0.866 4.432 1.00 0.00 C ATOM 485 C TRP A 39 12.481 1.472 3.298 1.00 0.00 C ATOM 486 O TRP A 39 13.302 0.794 2.681 1.00 0.00 O ATOM 487 CB TRP A 39 12.603 0.199 5.438 1.00 0.00 C ATOM 488 CG TRP A 39 12.344 0.578 6.863 1.00 0.00 C ATOM 489 CD1 TRP A 39 11.136 0.622 7.497 1.00 0.00 C ATOM 490 CD2 TRP A 39 13.323 0.959 7.837 1.00 0.00 C ATOM 491 NE1 TRP A 39 11.305 1.003 8.807 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.639 1.212 9.040 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.712 1.099 7.809 1.00 0.00 C ATOM 494 CZ2 TRP A 39 13.299 1.608 10.204 1.00 0.00 C ATOM 495 CZ3 TRP A 39 15.366 1.492 8.962 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.661 1.737 10.146 1.00 0.00 C ATOM 0 H TRP A 39 10.837 -1.050 4.259 1.00 0.00 H new ATOM 0 HA TRP A 39 11.108 1.659 4.932 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.514 -0.883 5.339 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.631 0.458 5.186 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.187 0.391 7.037 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.559 1.112 9.494 1.00 0.00 H new ATOM 0 HE3 TRP A 39 15.266 0.904 6.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.756 1.805 11.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 16.439 1.612 8.949 1.00 0.00 H new ATOM 0 HH2 TRP A 39 15.202 2.034 11.032 1.00 0.00 H new ATOM 507 N VAL A 40 12.233 2.737 3.013 1.00 0.00 N ATOM 508 CA VAL A 40 12.950 3.437 1.962 1.00 0.00 C ATOM 509 C VAL A 40 14.077 4.259 2.577 1.00 0.00 C ATOM 510 O VAL A 40 15.015 4.673 1.897 1.00 0.00 O ATOM 511 CB VAL A 40 12.002 4.342 1.139 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.561 5.562 1.940 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.653 4.750 -0.176 1.00 0.00 C ATOM 0 H VAL A 40 11.537 3.304 3.497 1.00 0.00 H new ATOM 0 HA VAL A 40 13.371 2.700 1.278 1.00 0.00 H new ATOM 0 HB VAL A 40 11.106 3.765 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.896 6.176 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.035 5.237 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.436 6.147 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.969 5.386 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.573 5.298 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.883 3.859 -0.760 1.00 0.00 H new ATOM 523 N ASP A 41 13.974 4.457 3.885 1.00 0.00 N ATOM 524 CA ASP A 41 14.955 5.207 4.654 1.00 0.00 C ATOM 525 C ASP A 41 14.824 4.809 6.119 1.00 0.00 C ATOM 526 O ASP A 41 13.989 3.970 6.453 1.00 0.00 O ATOM 527 CB ASP A 41 14.735 6.714 4.495 1.00 0.00 C ATOM 528 CG ASP A 41 15.985 7.519 4.790 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.218 7.857 5.964 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.746 7.814 3.847 1.00 0.00 O ATOM 0 H ASP A 41 13.201 4.098 4.445 1.00 0.00 H new ATOM 0 HA ASP A 41 15.956 4.977 4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.404 6.924 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.935 7.033 5.163 1.00 0.00 H new ATOM 535 N THR A 42 15.614 5.407 6.995 1.00 0.00 N ATOM 536 CA THR A 42 15.553 5.083 8.407 1.00 0.00 C ATOM 537 C THR A 42 14.271 5.633 9.031 1.00 0.00 C ATOM 538 O THR A 42 14.182 6.814 9.355 1.00 0.00 O ATOM 539 CB THR A 42 16.772 5.642 9.156 1.00 0.00 C ATOM 540 OG1 THR A 42 17.946 5.531 8.334 1.00 0.00 O ATOM 541 CG2 THR A 42 16.988 4.891 10.462 1.00 0.00 C ATOM 0 H THR A 42 16.304 6.118 6.752 1.00 0.00 H new ATOM 0 HA THR A 42 15.557 3.997 8.496 1.00 0.00 H new ATOM 0 HB THR A 42 16.587 6.692 9.382 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.719 5.891 8.817 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.856 5.301 10.978 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.106 4.998 11.093 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.157 3.835 10.251 1.00 0.00 H new ATOM 549 N GLY A 43 13.268 4.774 9.157 1.00 0.00 N ATOM 550 CA GLY A 43 12.005 5.178 9.745 1.00 0.00 C ATOM 551 C GLY A 43 11.036 5.719 8.713 1.00 0.00 C ATOM 552 O GLY A 43 9.924 6.126 9.045 1.00 0.00 O ATOM 0 H GLY A 43 13.307 3.799 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.554 4.325 10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.187 5.940 10.503 1.00 0.00 H new ATOM 556 N VAL A 44 11.465 5.729 7.461 1.00 0.00 N ATOM 557 CA VAL A 44 10.636 6.225 6.372 1.00 0.00 C ATOM 558 C VAL A 44 10.299 5.090 5.415 1.00 0.00 C ATOM 559 O VAL A 44 11.162 4.287 5.054 1.00 0.00 O ATOM 560 CB VAL A 44 11.330 7.364 5.586 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.341 8.075 4.670 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.989 8.358 6.535 1.00 0.00 C ATOM 0 H VAL A 44 12.386 5.398 7.172 1.00 0.00 H new ATOM 0 HA VAL A 44 9.725 6.626 6.816 1.00 0.00 H new ATOM 0 HB VAL A 44 12.107 6.916 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.853 8.871 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.926 7.361 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.535 8.502 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.469 9.148 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.233 8.794 7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.737 7.844 7.139 1.00 0.00 H new ATOM 572 N LEU A 45 9.043 5.023 5.018 1.00 0.00 N ATOM 573 CA LEU A 45 8.581 3.993 4.109 1.00 0.00 C ATOM 574 C LEU A 45 7.906 4.628 2.899 1.00 0.00 C ATOM 575 O LEU A 45 7.248 5.659 3.021 1.00 0.00 O ATOM 576 CB LEU A 45 7.608 3.044 4.820 1.00 0.00 C ATOM 577 CG LEU A 45 8.151 2.364 6.078 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.699 3.095 7.335 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.714 0.909 6.122 1.00 0.00 C ATOM 0 H LEU A 45 8.318 5.677 5.314 1.00 0.00 H new ATOM 0 HA LEU A 45 9.442 3.416 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.713 3.605 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.301 2.272 4.115 1.00 0.00 H new ATOM 0 HG LEU A 45 9.240 2.402 6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.100 2.590 8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.063 4.122 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.610 3.097 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.108 0.438 7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.625 0.856 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.095 0.388 5.244 1.00 0.00 H new ATOM 591 N ALA A 46 8.081 4.018 1.737 1.00 0.00 N ATOM 592 CA ALA A 46 7.491 4.531 0.507 1.00 0.00 C ATOM 593 C ALA A 46 6.962 3.389 -0.348 1.00 0.00 C ATOM 594 O ALA A 46 7.485 2.273 -0.287 1.00 0.00 O ATOM 595 CB ALA A 46 8.520 5.348 -0.257 1.00 0.00 C ATOM 0 H ALA A 46 8.628 3.165 1.618 1.00 0.00 H new ATOM 0 HA ALA A 46 6.651 5.178 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.073 5.729 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.851 6.184 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.375 4.718 -0.503 1.00 0.00 H new ATOM 601 N CYS A 47 5.927 3.665 -1.132 1.00 0.00 N ATOM 602 CA CYS A 47 5.323 2.650 -1.988 1.00 0.00 C ATOM 603 C CYS A 47 5.775 2.826 -3.434 1.00 0.00 C ATOM 604 O CYS A 47 6.507 3.764 -3.750 1.00 0.00 O ATOM 605 CB CYS A 47 3.793 2.707 -1.907 1.00 0.00 C ATOM 606 SG CYS A 47 3.133 2.960 -0.225 1.00 0.00 S ATOM 0 H CYS A 47 5.488 4.584 -1.193 1.00 0.00 H new ATOM 0 HA CYS A 47 5.654 1.674 -1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.438 3.514 -2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.386 1.779 -2.308 1.00 0.00 H new ATOM 611 N ASN A 48 5.336 1.926 -4.306 1.00 0.00 N ATOM 612 CA ASN A 48 5.705 1.980 -5.714 1.00 0.00 C ATOM 613 C ASN A 48 4.611 2.640 -6.552 1.00 0.00 C ATOM 614 O ASN A 48 3.436 2.316 -6.425 1.00 0.00 O ATOM 615 CB ASN A 48 5.996 0.570 -6.246 1.00 0.00 C ATOM 616 CG ASN A 48 4.780 -0.343 -6.271 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.881 -0.244 -5.434 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.751 -1.251 -7.234 1.00 0.00 N ATOM 0 H ASN A 48 4.723 1.149 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 48 6.607 2.586 -5.797 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.399 0.649 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.769 0.112 -5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.966 -1.899 -7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.514 -1.303 -7.909 1.00 0.00 H new ATOM 625 N PRO A 49 4.983 3.588 -7.416 1.00 0.00 N ATOM 626 CA PRO A 49 4.032 4.283 -8.279 1.00 0.00 C ATOM 627 C PRO A 49 3.802 3.548 -9.601 1.00 0.00 C ATOM 628 O PRO A 49 2.949 3.933 -10.402 1.00 0.00 O ATOM 629 CB PRO A 49 4.735 5.613 -8.524 1.00 0.00 C ATOM 630 CG PRO A 49 6.188 5.264 -8.536 1.00 0.00 C ATOM 631 CD PRO A 49 6.358 4.087 -7.606 1.00 0.00 C ATOM 0 HA PRO A 49 3.041 4.369 -7.832 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.425 6.059 -9.469 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.505 6.335 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.517 5.012 -9.544 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.792 6.109 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.004 3.324 -8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.809 4.386 -6.660 1.00 0.00 H new ATOM 639 N ALA A 50 4.566 2.485 -9.827 1.00 0.00 N ATOM 640 CA ALA A 50 4.453 1.716 -11.060 1.00 0.00 C ATOM 641 C ALA A 50 3.331 0.685 -10.998 1.00 0.00 C ATOM 642 O ALA A 50 2.719 0.365 -12.019 1.00 0.00 O ATOM 643 CB ALA A 50 5.775 1.034 -11.379 1.00 0.00 C ATOM 0 H ALA A 50 5.268 2.137 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 50 4.205 2.418 -11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.676 0.463 -12.302 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.553 1.787 -11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.044 0.362 -10.564 1.00 0.00 H new ATOM 649 N ASP A 51 3.045 0.173 -9.809 1.00 0.00 N ATOM 650 CA ASP A 51 2.000 -0.839 -9.663 1.00 0.00 C ATOM 651 C ASP A 51 1.043 -0.524 -8.524 1.00 0.00 C ATOM 652 O ASP A 51 0.434 -1.429 -7.959 1.00 0.00 O ATOM 653 CB ASP A 51 2.621 -2.219 -9.437 1.00 0.00 C ATOM 654 CG ASP A 51 2.374 -3.166 -10.595 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.196 -3.479 -10.880 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.360 -3.609 -11.224 1.00 0.00 O ATOM 0 H ASP A 51 3.512 0.435 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 51 1.428 -0.836 -10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.695 -2.110 -9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.212 -2.652 -8.524 1.00 0.00 H new ATOM 661 N PHE A 52 0.900 0.749 -8.192 1.00 0.00 N ATOM 662 CA PHE A 52 -0.008 1.148 -7.120 1.00 0.00 C ATOM 663 C PHE A 52 -1.440 1.193 -7.645 1.00 0.00 C ATOM 664 O PHE A 52 -1.665 1.140 -8.856 1.00 0.00 O ATOM 665 CB PHE A 52 0.392 2.509 -6.533 1.00 0.00 C ATOM 666 CG PHE A 52 -0.137 3.692 -7.298 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.361 4.004 -8.551 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.137 4.488 -6.762 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.125 5.085 -9.257 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.629 5.571 -7.462 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.122 5.871 -8.712 1.00 0.00 C ATOM 0 H PHE A 52 1.394 1.520 -8.642 1.00 0.00 H new ATOM 0 HA PHE A 52 0.057 0.410 -6.321 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.036 2.567 -5.505 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.480 2.571 -6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.140 3.393 -8.982 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.536 4.258 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.273 5.316 -10.234 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.409 6.183 -7.034 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.504 6.718 -9.262 1.00 0.00 H new ATOM 681 N SER A 53 -2.404 1.269 -6.744 1.00 0.00 N ATOM 682 CA SER A 53 -3.801 1.325 -7.138 1.00 0.00 C ATOM 683 C SER A 53 -4.612 2.143 -6.143 1.00 0.00 C ATOM 684 O SER A 53 -4.566 1.901 -4.936 1.00 0.00 O ATOM 685 CB SER A 53 -4.372 -0.087 -7.252 1.00 0.00 C ATOM 686 OG SER A 53 -3.625 -0.858 -8.179 1.00 0.00 O ATOM 0 H SER A 53 -2.246 1.293 -5.737 1.00 0.00 H new ATOM 0 HA SER A 53 -3.864 1.812 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.358 -0.570 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.414 -0.039 -7.568 1.00 0.00 H new ATOM 0 HG SER A 53 -4.005 -1.759 -8.236 1.00 0.00 H new ATOM 692 N SER A 54 -5.338 3.120 -6.655 1.00 0.00 N ATOM 693 CA SER A 54 -6.162 3.971 -5.821 1.00 0.00 C ATOM 694 C SER A 54 -7.623 3.542 -5.910 1.00 0.00 C ATOM 695 O SER A 54 -8.212 3.523 -6.994 1.00 0.00 O ATOM 696 CB SER A 54 -6.000 5.431 -6.246 1.00 0.00 C ATOM 697 OG SER A 54 -5.578 5.528 -7.599 1.00 0.00 O ATOM 0 H SER A 54 -5.373 3.343 -7.650 1.00 0.00 H new ATOM 0 HA SER A 54 -5.840 3.873 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.946 5.957 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.273 5.922 -5.599 1.00 0.00 H new ATOM 0 HG SER A 54 -5.484 6.472 -7.845 1.00 0.00 H new ATOM 703 N VAL A 55 -8.196 3.176 -4.775 1.00 0.00 N ATOM 704 CA VAL A 55 -9.585 2.736 -4.724 1.00 0.00 C ATOM 705 C VAL A 55 -10.442 3.774 -4.003 1.00 0.00 C ATOM 706 O VAL A 55 -10.054 4.296 -2.961 1.00 0.00 O ATOM 707 CB VAL A 55 -9.715 1.354 -4.034 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.055 1.361 -2.663 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.173 0.926 -3.928 1.00 0.00 C ATOM 0 H VAL A 55 -7.721 3.174 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.942 2.631 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.195 0.626 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.162 0.379 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.997 1.598 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.533 2.111 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.232 -0.047 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.726 1.660 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.606 0.858 -4.926 1.00 0.00 H new ATOM 719 N THR A 56 -11.591 4.089 -4.570 1.00 0.00 N ATOM 720 CA THR A 56 -12.481 5.071 -3.976 1.00 0.00 C ATOM 721 C THR A 56 -13.522 4.400 -3.086 1.00 0.00 C ATOM 722 O THR A 56 -14.147 3.416 -3.482 1.00 0.00 O ATOM 723 CB THR A 56 -13.187 5.898 -5.064 1.00 0.00 C ATOM 724 OG1 THR A 56 -12.257 6.191 -6.118 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.740 7.197 -4.491 1.00 0.00 C ATOM 0 H THR A 56 -11.931 3.680 -5.441 1.00 0.00 H new ATOM 0 HA THR A 56 -11.873 5.736 -3.363 1.00 0.00 H new ATOM 0 HB THR A 56 -14.021 5.316 -5.456 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.705 6.716 -6.813 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.234 7.762 -5.281 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.459 6.970 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.923 7.789 -4.078 1.00 0.00 H new ATOM 733 N ALA A 57 -13.681 4.922 -1.873 1.00 0.00 N ATOM 734 CA ALA A 57 -14.655 4.386 -0.936 1.00 0.00 C ATOM 735 C ALA A 57 -16.061 4.610 -1.475 1.00 0.00 C ATOM 736 O ALA A 57 -16.460 5.746 -1.754 1.00 0.00 O ATOM 737 CB ALA A 57 -14.487 5.019 0.436 1.00 0.00 C ATOM 0 H ALA A 57 -13.147 5.715 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.490 3.314 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.226 4.604 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.485 4.811 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.629 6.097 0.359 1.00 0.00 H new ATOM 743 N ASP A 58 -16.799 3.522 -1.623 1.00 0.00 N ATOM 744 CA ASP A 58 -18.151 3.573 -2.168 1.00 0.00 C ATOM 745 C ASP A 58 -19.163 4.068 -1.145 1.00 0.00 C ATOM 746 O ASP A 58 -18.813 4.395 -0.011 1.00 0.00 O ATOM 747 CB ASP A 58 -18.572 2.198 -2.695 1.00 0.00 C ATOM 748 CG ASP A 58 -18.299 1.079 -1.715 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.979 1.010 -0.672 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.410 0.250 -1.995 1.00 0.00 O ATOM 0 H ASP A 58 -16.484 2.585 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.136 4.286 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.636 2.216 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.043 1.995 -3.626 1.00 0.00 H new ATOM 755 N ALA A 59 -20.427 4.101 -1.556 1.00 0.00 N ATOM 756 CA ALA A 59 -21.516 4.571 -0.706 1.00 0.00 C ATOM 757 C ALA A 59 -21.745 3.663 0.497 1.00 0.00 C ATOM 758 O ALA A 59 -22.379 4.062 1.473 1.00 0.00 O ATOM 759 CB ALA A 59 -22.796 4.700 -1.513 1.00 0.00 C ATOM 0 H ALA A 59 -20.725 3.804 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.226 5.550 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.600 5.051 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.645 5.413 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.063 3.729 -1.929 1.00 0.00 H new ATOM 765 N ASN A 60 -21.234 2.445 0.431 1.00 0.00 N ATOM 766 CA ASN A 60 -21.389 1.499 1.530 1.00 0.00 C ATOM 767 C ASN A 60 -20.263 1.692 2.531 1.00 0.00 C ATOM 768 O ASN A 60 -20.217 1.033 3.573 1.00 0.00 O ATOM 769 CB ASN A 60 -21.390 0.051 1.029 1.00 0.00 C ATOM 770 CG ASN A 60 -22.178 -0.137 -0.253 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.396 -0.311 -0.233 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.484 -0.106 -1.379 1.00 0.00 N ATOM 0 H ASN A 60 -20.710 2.086 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.350 1.691 2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.361 -0.271 0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.807 -0.594 1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.958 -0.229 -2.274 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.475 0.041 -1.352 1.00 0.00 H new ATOM 779 N GLY A 61 -19.354 2.604 2.205 1.00 0.00 N ATOM 780 CA GLY A 61 -18.228 2.885 3.069 1.00 0.00 C ATOM 781 C GLY A 61 -17.156 1.826 2.961 1.00 0.00 C ATOM 782 O GLY A 61 -16.347 1.659 3.872 1.00 0.00 O ATOM 0 H GLY A 61 -19.380 3.157 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.806 3.856 2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.571 2.951 4.102 1.00 0.00 H new ATOM 786 N SER A 62 -17.149 1.112 1.847 1.00 0.00 N ATOM 787 CA SER A 62 -16.178 0.053 1.629 1.00 0.00 C ATOM 788 C SER A 62 -15.193 0.429 0.525 1.00 0.00 C ATOM 789 O SER A 62 -15.405 1.403 -0.203 1.00 0.00 O ATOM 790 CB SER A 62 -16.903 -1.246 1.276 1.00 0.00 C ATOM 791 OG SER A 62 -18.279 -1.010 1.002 1.00 0.00 O ATOM 0 H SER A 62 -17.806 1.247 1.079 1.00 0.00 H new ATOM 0 HA SER A 62 -15.610 -0.090 2.548 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.430 -1.705 0.408 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.810 -1.953 2.100 1.00 0.00 H new ATOM 0 HG SER A 62 -18.363 -0.478 0.183 1.00 0.00 H new ATOM 797 N ALA A 63 -14.117 -0.343 0.416 1.00 0.00 N ATOM 798 CA ALA A 63 -13.093 -0.113 -0.593 1.00 0.00 C ATOM 799 C ALA A 63 -12.225 -1.357 -0.749 1.00 0.00 C ATOM 800 O ALA A 63 -11.420 -1.671 0.127 1.00 0.00 O ATOM 801 CB ALA A 63 -12.233 1.090 -0.222 1.00 0.00 C ATOM 0 H ALA A 63 -13.932 -1.142 1.022 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.583 0.098 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.474 1.245 -0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.861 1.978 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.748 0.909 0.737 1.00 0.00 H new ATOM 807 N SER A 64 -12.405 -2.074 -1.850 1.00 0.00 N ATOM 808 CA SER A 64 -11.640 -3.283 -2.101 1.00 0.00 C ATOM 809 C SER A 64 -10.886 -3.183 -3.425 1.00 0.00 C ATOM 810 O SER A 64 -11.447 -2.774 -4.445 1.00 0.00 O ATOM 811 CB SER A 64 -12.569 -4.500 -2.107 1.00 0.00 C ATOM 812 OG SER A 64 -11.838 -5.705 -1.955 1.00 0.00 O ATOM 0 H SER A 64 -13.075 -1.838 -2.582 1.00 0.00 H new ATOM 0 HA SER A 64 -10.908 -3.401 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.297 -4.409 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.130 -4.528 -3.041 1.00 0.00 H new ATOM 0 HG SER A 64 -12.456 -6.465 -1.961 1.00 0.00 H new ATOM 818 N THR A 65 -9.610 -3.550 -3.399 1.00 0.00 N ATOM 819 CA THR A 65 -8.766 -3.506 -4.583 1.00 0.00 C ATOM 820 C THR A 65 -7.721 -4.628 -4.542 1.00 0.00 C ATOM 821 O THR A 65 -7.536 -5.279 -3.508 1.00 0.00 O ATOM 822 CB THR A 65 -8.071 -2.132 -4.712 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.432 -2.012 -5.991 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.049 -1.922 -3.604 1.00 0.00 C ATOM 0 H THR A 65 -9.135 -3.884 -2.561 1.00 0.00 H new ATOM 0 HA THR A 65 -9.401 -3.653 -5.456 1.00 0.00 H new ATOM 0 HB THR A 65 -8.839 -1.364 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.998 -1.136 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.578 -0.946 -3.724 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.547 -1.968 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.288 -2.701 -3.658 1.00 0.00 H new ATOM 832 N SER A 66 -7.045 -4.845 -5.665 1.00 0.00 N ATOM 833 CA SER A 66 -6.032 -5.886 -5.774 1.00 0.00 C ATOM 834 C SER A 66 -4.692 -5.281 -6.190 1.00 0.00 C ATOM 835 O SER A 66 -4.613 -4.556 -7.186 1.00 0.00 O ATOM 836 CB SER A 66 -6.482 -6.935 -6.796 1.00 0.00 C ATOM 837 OG SER A 66 -7.882 -7.169 -6.704 1.00 0.00 O ATOM 0 H SER A 66 -7.183 -4.307 -6.520 1.00 0.00 H new ATOM 0 HA SER A 66 -5.906 -6.365 -4.803 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.231 -6.599 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.942 -7.867 -6.628 1.00 0.00 H new ATOM 0 HG SER A 66 -8.146 -7.841 -7.367 1.00 0.00 H new ATOM 843 N LEU A 67 -3.648 -5.576 -5.428 1.00 0.00 N ATOM 844 CA LEU A 67 -2.317 -5.047 -5.708 1.00 0.00 C ATOM 845 C LEU A 67 -1.325 -6.161 -6.034 1.00 0.00 C ATOM 846 O LEU A 67 -1.340 -7.217 -5.404 1.00 0.00 O ATOM 847 CB LEU A 67 -1.801 -4.261 -4.497 1.00 0.00 C ATOM 848 CG LEU A 67 -2.120 -2.762 -4.480 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.577 -2.083 -5.726 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.616 -2.527 -4.353 1.00 0.00 C ATOM 0 H LEU A 67 -3.696 -6.181 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.401 -4.393 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.216 -4.710 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.719 -4.382 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.632 -2.324 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.814 -1.020 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.496 -2.212 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.031 -2.529 -6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.816 -1.456 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.129 -2.984 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.977 -2.972 -3.426 1.00 0.00 H new ATOM 862 N THR A 68 -0.475 -5.926 -7.025 1.00 0.00 N ATOM 863 CA THR A 68 0.541 -6.898 -7.408 1.00 0.00 C ATOM 864 C THR A 68 1.878 -6.525 -6.765 1.00 0.00 C ATOM 865 O THR A 68 2.424 -5.452 -7.021 1.00 0.00 O ATOM 866 CB THR A 68 0.707 -6.964 -8.939 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.581 -7.032 -9.573 1.00 0.00 O ATOM 868 CG2 THR A 68 1.536 -8.174 -9.344 1.00 0.00 C ATOM 0 H THR A 68 -0.469 -5.070 -7.579 1.00 0.00 H new ATOM 0 HA THR A 68 0.220 -7.879 -7.058 1.00 0.00 H new ATOM 0 HB THR A 68 1.225 -6.061 -9.262 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.465 -7.072 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.639 -8.198 -10.429 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.524 -8.108 -8.887 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.040 -9.084 -9.006 1.00 0.00 H new ATOM 876 N VAL A 69 2.394 -7.407 -5.921 1.00 0.00 N ATOM 877 CA VAL A 69 3.650 -7.147 -5.224 1.00 0.00 C ATOM 878 C VAL A 69 4.865 -7.618 -6.028 1.00 0.00 C ATOM 879 O VAL A 69 4.948 -8.776 -6.449 1.00 0.00 O ATOM 880 CB VAL A 69 3.661 -7.793 -3.813 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.423 -9.295 -3.885 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.967 -7.494 -3.093 1.00 0.00 C ATOM 0 H VAL A 69 1.966 -8.306 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 69 3.722 -6.065 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 69 2.842 -7.353 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.437 -9.714 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.454 -9.488 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.207 -9.759 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.953 -7.957 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.800 -7.895 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.085 -6.416 -2.987 1.00 0.00 H new ATOM 892 N ARG A 70 5.795 -6.695 -6.254 1.00 0.00 N ATOM 893 CA ARG A 70 7.024 -6.988 -6.975 1.00 0.00 C ATOM 894 C ARG A 70 8.139 -7.252 -5.973 1.00 0.00 C ATOM 895 O ARG A 70 8.021 -6.883 -4.804 1.00 0.00 O ATOM 896 CB ARG A 70 7.419 -5.813 -7.877 1.00 0.00 C ATOM 897 CG ARG A 70 6.304 -5.332 -8.792 1.00 0.00 C ATOM 898 CD ARG A 70 5.850 -6.429 -9.739 1.00 0.00 C ATOM 899 NE ARG A 70 4.837 -5.959 -10.677 1.00 0.00 N ATOM 900 CZ ARG A 70 4.326 -6.701 -11.653 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.722 -7.959 -11.820 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.410 -6.184 -12.456 1.00 0.00 N ATOM 0 H ARG A 70 5.716 -5.727 -5.943 1.00 0.00 H new ATOM 0 HA ARG A 70 6.863 -7.866 -7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.745 -4.982 -7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.273 -6.108 -8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.459 -4.995 -8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.649 -4.473 -9.367 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.709 -6.807 -10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.450 -7.263 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 70 4.500 -5.001 -10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.422 -8.360 -11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.325 -8.523 -12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.100 -5.221 -12.323 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.014 -6.748 -13.207 1.00 0.00 H new ATOM 916 N ARG A 71 9.215 -7.880 -6.423 1.00 0.00 N ATOM 917 CA ARG A 71 10.341 -8.180 -5.549 1.00 0.00 C ATOM 918 C ARG A 71 11.118 -6.902 -5.221 1.00 0.00 C ATOM 919 O ARG A 71 11.556 -6.698 -4.090 1.00 0.00 O ATOM 920 CB ARG A 71 11.252 -9.224 -6.199 1.00 0.00 C ATOM 921 CG ARG A 71 12.143 -9.958 -5.209 1.00 0.00 C ATOM 922 CD ARG A 71 11.345 -10.871 -4.288 1.00 0.00 C ATOM 923 NE ARG A 71 10.866 -12.065 -4.976 1.00 0.00 N ATOM 924 CZ ARG A 71 10.749 -13.261 -4.398 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.070 -13.431 -3.122 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.294 -14.285 -5.094 1.00 0.00 N ATOM 0 H ARG A 71 9.333 -8.192 -7.387 1.00 0.00 H new ATOM 0 HA ARG A 71 9.961 -8.593 -4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.637 -9.951 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.878 -8.733 -6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.880 -10.548 -5.754 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.694 -9.232 -4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.967 -11.166 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.495 -10.322 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 71 10.605 -11.980 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.410 -12.642 -2.572 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.976 -14.351 -2.691 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.033 -14.161 -6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.204 -15.201 -4.654 1.00 0.00 H new ATOM 940 N SER A 72 11.286 -6.052 -6.220 1.00 0.00 N ATOM 941 CA SER A 72 11.973 -4.779 -6.052 1.00 0.00 C ATOM 942 C SER A 72 11.117 -3.677 -6.667 1.00 0.00 C ATOM 943 O SER A 72 10.466 -3.901 -7.689 1.00 0.00 O ATOM 944 CB SER A 72 13.351 -4.821 -6.719 1.00 0.00 C ATOM 945 OG SER A 72 14.061 -5.993 -6.351 1.00 0.00 O ATOM 0 H SER A 72 10.952 -6.223 -7.168 1.00 0.00 H new ATOM 0 HA SER A 72 12.121 -4.580 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.235 -4.787 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.924 -3.940 -6.432 1.00 0.00 H new ATOM 0 HG SER A 72 14.735 -5.769 -5.676 1.00 0.00 H new ATOM 951 N PHE A 73 11.095 -2.505 -6.050 1.00 0.00 N ATOM 952 CA PHE A 73 10.288 -1.411 -6.568 1.00 0.00 C ATOM 953 C PHE A 73 10.912 -0.059 -6.259 1.00 0.00 C ATOM 954 O PHE A 73 11.910 0.033 -5.547 1.00 0.00 O ATOM 955 CB PHE A 73 8.866 -1.478 -5.993 1.00 0.00 C ATOM 956 CG PHE A 73 8.784 -1.241 -4.506 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.934 -2.288 -3.615 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.548 0.029 -4.001 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.850 -2.077 -2.252 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.466 0.247 -2.640 1.00 0.00 C ATOM 961 CZ PHE A 73 8.618 -0.809 -1.764 1.00 0.00 C ATOM 0 H PHE A 73 11.619 -2.289 -5.202 1.00 0.00 H new ATOM 0 HA PHE A 73 10.243 -1.519 -7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.246 -0.739 -6.501 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.442 -2.457 -6.217 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.119 -3.284 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.427 0.859 -4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.966 -2.906 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.283 1.242 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.555 -0.642 -0.699 1.00 0.00 H new ATOM 971 N GLU A 74 10.321 0.981 -6.814 1.00 0.00 N ATOM 972 CA GLU A 74 10.786 2.341 -6.608 1.00 0.00 C ATOM 973 C GLU A 74 9.991 3.000 -5.488 1.00 0.00 C ATOM 974 O GLU A 74 8.771 3.108 -5.571 1.00 0.00 O ATOM 975 CB GLU A 74 10.645 3.155 -7.899 1.00 0.00 C ATOM 976 CG GLU A 74 10.393 2.306 -9.143 1.00 0.00 C ATOM 977 CD GLU A 74 8.923 1.975 -9.349 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.450 0.959 -8.797 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.239 2.728 -10.074 1.00 0.00 O ATOM 0 H GLU A 74 9.504 0.908 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 74 11.839 2.311 -6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.825 3.863 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.552 3.740 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.767 2.836 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.961 1.379 -9.065 1.00 0.00 H new ATOM 986 N GLY A 75 10.688 3.437 -4.449 1.00 0.00 N ATOM 987 CA GLY A 75 10.028 4.064 -3.321 1.00 0.00 C ATOM 988 C GLY A 75 9.683 5.517 -3.577 1.00 0.00 C ATOM 989 O GLY A 75 10.574 6.358 -3.746 1.00 0.00 O ATOM 0 H GLY A 75 11.702 3.368 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.116 3.514 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.673 3.997 -2.445 1.00 0.00 H new ATOM 993 N PHE A 76 8.387 5.811 -3.601 1.00 0.00 N ATOM 994 CA PHE A 76 7.905 7.163 -3.843 1.00 0.00 C ATOM 995 C PHE A 76 6.959 7.589 -2.730 1.00 0.00 C ATOM 996 O PHE A 76 6.250 6.761 -2.154 1.00 0.00 O ATOM 997 CB PHE A 76 7.170 7.241 -5.183 1.00 0.00 C ATOM 998 CG PHE A 76 8.073 7.420 -6.377 1.00 0.00 C ATOM 999 CD1 PHE A 76 9.061 6.491 -6.667 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.921 8.512 -7.219 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.880 6.650 -7.768 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.736 8.672 -8.323 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.715 7.740 -8.597 1.00 0.00 C ATOM 0 H PHE A 76 7.648 5.124 -3.454 1.00 0.00 H new ATOM 0 HA PHE A 76 8.766 7.831 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.586 6.330 -5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.464 8.071 -5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.192 5.633 -6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.157 9.246 -7.009 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.649 5.922 -7.979 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.607 9.526 -8.971 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.352 7.864 -9.460 1.00 0.00 H new ATOM 1013 N LEU A 77 6.955 8.875 -2.422 1.00 0.00 N ATOM 1014 CA LEU A 77 6.077 9.396 -1.390 1.00 0.00 C ATOM 1015 C LEU A 77 4.699 9.656 -1.980 1.00 0.00 C ATOM 1016 O LEU A 77 4.537 9.649 -3.203 1.00 0.00 O ATOM 1017 CB LEU A 77 6.646 10.683 -0.795 1.00 0.00 C ATOM 1018 CG LEU A 77 8.067 10.576 -0.237 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.565 11.942 0.206 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.117 9.593 0.923 1.00 0.00 C ATOM 0 H LEU A 77 7.547 9.574 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 77 5.996 8.659 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.633 11.455 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.984 11.017 0.004 1.00 0.00 H new ATOM 0 HG LEU A 77 8.719 10.206 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.577 11.850 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.568 12.622 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.908 12.335 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.136 9.532 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.452 9.933 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.799 8.609 0.580 1.00 0.00 H new ATOM 1032 N PHE A 78 3.717 9.911 -1.121 1.00 0.00 N ATOM 1033 CA PHE A 78 2.350 10.158 -1.572 1.00 0.00 C ATOM 1034 C PHE A 78 2.267 11.427 -2.415 1.00 0.00 C ATOM 1035 O PHE A 78 1.366 11.574 -3.243 1.00 0.00 O ATOM 1036 CB PHE A 78 1.391 10.266 -0.383 1.00 0.00 C ATOM 1037 CG PHE A 78 1.065 8.948 0.264 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.890 7.802 -0.497 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.919 8.863 1.637 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.583 6.595 0.104 1.00 0.00 C ATOM 1041 CE2 PHE A 78 0.613 7.660 2.242 1.00 0.00 C ATOM 1042 CZ PHE A 78 0.442 6.524 1.474 1.00 0.00 C ATOM 0 H PHE A 78 3.841 9.952 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 78 2.054 9.309 -2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.829 10.927 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.465 10.733 -0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.995 7.853 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.046 9.748 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.454 5.708 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.507 7.607 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.199 5.583 1.945 1.00 0.00 H new ATOM 1052 N ASP A 79 3.207 12.338 -2.210 1.00 0.00 N ATOM 1053 CA ASP A 79 3.226 13.584 -2.964 1.00 0.00 C ATOM 1054 C ASP A 79 3.881 13.386 -4.330 1.00 0.00 C ATOM 1055 O ASP A 79 3.681 14.188 -5.244 1.00 0.00 O ATOM 1056 CB ASP A 79 3.941 14.682 -2.173 1.00 0.00 C ATOM 1057 CG ASP A 79 5.388 14.854 -2.571 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.209 13.975 -2.235 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.716 15.869 -3.220 1.00 0.00 O ATOM 0 H ASP A 79 3.963 12.240 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 79 2.195 13.897 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.416 15.626 -2.318 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.888 14.448 -1.110 1.00 0.00 H new ATOM 1064 N GLY A 80 4.651 12.312 -4.471 1.00 0.00 N ATOM 1065 CA GLY A 80 5.301 12.032 -5.736 1.00 0.00 C ATOM 1066 C GLY A 80 6.818 12.113 -5.682 1.00 0.00 C ATOM 1067 O GLY A 80 7.492 11.745 -6.644 1.00 0.00 O ATOM 0 H GLY A 80 4.836 11.632 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.012 11.035 -6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.936 12.736 -6.484 1.00 0.00 H new ATOM 1071 N THR A 81 7.366 12.590 -4.575 1.00 0.00 N ATOM 1072 CA THR A 81 8.815 12.701 -4.451 1.00 0.00 C ATOM 1073 C THR A 81 9.467 11.325 -4.354 1.00 0.00 C ATOM 1074 O THR A 81 9.065 10.495 -3.538 1.00 0.00 O ATOM 1075 CB THR A 81 9.210 13.528 -3.215 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.490 14.765 -3.207 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.705 13.806 -3.200 1.00 0.00 C ATOM 0 H THR A 81 6.840 12.903 -3.759 1.00 0.00 H new ATOM 0 HA THR A 81 9.170 13.207 -5.349 1.00 0.00 H new ATOM 0 HB THR A 81 8.958 12.952 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.784 14.728 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.957 14.392 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.250 12.862 -3.178 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.980 14.363 -4.095 1.00 0.00 H new ATOM 1085 N ARG A 82 10.457 11.080 -5.202 1.00 0.00 N ATOM 1086 CA ARG A 82 11.172 9.814 -5.182 1.00 0.00 C ATOM 1087 C ARG A 82 12.202 9.831 -4.060 1.00 0.00 C ATOM 1088 O ARG A 82 12.800 10.872 -3.774 1.00 0.00 O ATOM 1089 CB ARG A 82 11.845 9.542 -6.540 1.00 0.00 C ATOM 1090 CG ARG A 82 12.845 10.600 -6.979 1.00 0.00 C ATOM 1091 CD ARG A 82 14.273 10.209 -6.629 1.00 0.00 C ATOM 1092 NE ARG A 82 14.617 8.862 -7.086 1.00 0.00 N ATOM 1093 CZ ARG A 82 15.700 8.194 -6.686 1.00 0.00 C ATOM 1094 NH1 ARG A 82 16.558 8.750 -5.836 1.00 0.00 N ATOM 1095 NH2 ARG A 82 15.934 6.974 -7.150 1.00 0.00 N ATOM 0 H ARG A 82 10.781 11.739 -5.909 1.00 0.00 H new ATOM 0 HA ARG A 82 10.461 9.008 -5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.354 8.579 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.071 9.455 -7.302 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.764 10.753 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.601 11.550 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.962 10.927 -7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.407 10.267 -5.549 1.00 0.00 H new ATOM 0 HE ARG A 82 13.991 8.407 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.390 9.693 -5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.384 8.233 -5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.286 6.547 -7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.762 6.462 -6.845 1.00 0.00 H new ATOM 1109 N TRP A 83 12.389 8.695 -3.407 1.00 0.00 N ATOM 1110 CA TRP A 83 13.349 8.605 -2.321 1.00 0.00 C ATOM 1111 C TRP A 83 14.489 7.662 -2.688 1.00 0.00 C ATOM 1112 O TRP A 83 15.657 7.949 -2.418 1.00 0.00 O ATOM 1113 CB TRP A 83 12.647 8.127 -1.052 1.00 0.00 C ATOM 1114 CG TRP A 83 13.350 8.526 0.205 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.524 8.021 0.684 1.00 0.00 C ATOM 1116 CD2 TRP A 83 12.921 9.514 1.147 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.855 8.641 1.862 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.886 9.558 2.170 1.00 0.00 C ATOM 1119 CE3 TRP A 83 11.817 10.365 1.226 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.779 10.421 3.257 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 11.712 11.221 2.304 1.00 0.00 C ATOM 1122 CH2 TRP A 83 12.688 11.243 3.307 1.00 0.00 C ATOM 0 H TRP A 83 11.891 7.828 -3.609 1.00 0.00 H new ATOM 0 HA TRP A 83 13.773 9.593 -2.142 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.633 8.527 -1.035 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.561 7.041 -1.081 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.107 7.247 0.206 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.688 8.450 2.418 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.058 10.354 0.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.530 10.440 4.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 10.863 11.885 2.375 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.577 11.924 4.138 1.00 0.00 H new ATOM 1133 N GLY A 84 14.146 6.546 -3.313 1.00 0.00 N ATOM 1134 CA GLY A 84 15.147 5.576 -3.705 1.00 0.00 C ATOM 1135 C GLY A 84 14.517 4.257 -4.087 1.00 0.00 C ATOM 1136 O GLY A 84 13.306 4.081 -3.950 1.00 0.00 O ATOM 0 H GLY A 84 13.188 6.294 -3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.722 5.964 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.848 5.422 -2.884 1.00 0.00 H new ATOM 1140 N THR A 85 15.328 3.331 -4.568 1.00 0.00 N ATOM 1141 CA THR A 85 14.835 2.026 -4.973 1.00 0.00 C ATOM 1142 C THR A 85 14.775 1.081 -3.779 1.00 0.00 C ATOM 1143 O THR A 85 15.799 0.771 -3.168 1.00 0.00 O ATOM 1144 CB THR A 85 15.727 1.418 -6.071 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.208 2.461 -6.933 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.959 0.391 -6.893 1.00 0.00 C ATOM 0 H THR A 85 16.333 3.459 -4.688 1.00 0.00 H new ATOM 0 HA THR A 85 13.830 2.159 -5.372 1.00 0.00 H new ATOM 0 HB THR A 85 16.568 0.916 -5.592 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.777 2.073 -7.630 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.613 -0.023 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.612 -0.411 -6.241 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.102 0.871 -7.366 1.00 0.00 H new ATOM 1154 N VAL A 86 13.577 0.628 -3.448 1.00 0.00 N ATOM 1155 CA VAL A 86 13.390 -0.273 -2.323 1.00 0.00 C ATOM 1156 C VAL A 86 13.412 -1.717 -2.795 1.00 0.00 C ATOM 1157 O VAL A 86 12.802 -2.061 -3.809 1.00 0.00 O ATOM 1158 CB VAL A 86 12.066 0.002 -1.583 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.074 -0.655 -0.213 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.822 1.495 -1.460 1.00 0.00 C ATOM 0 H VAL A 86 12.719 0.870 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 86 14.212 -0.098 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 86 11.252 -0.430 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.131 -0.450 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.198 -1.732 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.898 -0.255 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.883 1.668 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.639 1.952 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.769 1.938 -2.454 1.00 0.00 H new ATOM 1170 N ASP A 87 14.127 -2.560 -2.071 1.00 0.00 N ATOM 1171 CA ASP A 87 14.230 -3.962 -2.429 1.00 0.00 C ATOM 1172 C ASP A 87 13.585 -4.845 -1.372 1.00 0.00 C ATOM 1173 O ASP A 87 13.979 -4.826 -0.209 1.00 0.00 O ATOM 1174 CB ASP A 87 15.692 -4.362 -2.610 1.00 0.00 C ATOM 1175 CG ASP A 87 15.840 -5.817 -3.001 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.671 -6.130 -4.198 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.118 -6.656 -2.118 1.00 0.00 O ATOM 0 H ASP A 87 14.644 -2.297 -1.232 1.00 0.00 H new ATOM 0 HA ASP A 87 13.701 -4.104 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.147 -3.733 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.235 -4.179 -1.683 1.00 0.00 H new ATOM 1182 N CYS A 88 12.595 -5.618 -1.782 1.00 0.00 N ATOM 1183 CA CYS A 88 11.907 -6.514 -0.872 1.00 0.00 C ATOM 1184 C CYS A 88 12.407 -7.941 -1.064 1.00 0.00 C ATOM 1185 O CYS A 88 11.752 -8.902 -0.661 1.00 0.00 O ATOM 1186 CB CYS A 88 10.393 -6.436 -1.081 1.00 0.00 C ATOM 1187 SG CYS A 88 9.677 -4.824 -0.619 1.00 0.00 S ATOM 0 H CYS A 88 12.250 -5.643 -2.741 1.00 0.00 H new ATOM 0 HA CYS A 88 12.122 -6.206 0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.168 -6.638 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.912 -7.219 -0.495 1.00 0.00 H new ATOM 1192 N THR A 89 13.575 -8.072 -1.688 1.00 0.00 N ATOM 1193 CA THR A 89 14.172 -9.374 -1.915 1.00 0.00 C ATOM 1194 C THR A 89 14.912 -9.816 -0.661 1.00 0.00 C ATOM 1195 O THR A 89 14.679 -10.905 -0.136 1.00 0.00 O ATOM 1196 CB THR A 89 15.158 -9.361 -3.103 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.646 -8.544 -4.163 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.405 -10.772 -3.617 1.00 0.00 C ATOM 0 H THR A 89 14.123 -7.288 -2.044 1.00 0.00 H new ATOM 0 HA THR A 89 13.367 -10.069 -2.153 1.00 0.00 H new ATOM 0 HB THR A 89 16.104 -8.947 -2.754 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.285 -7.828 -4.362 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.103 -10.737 -4.454 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.827 -11.382 -2.818 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.463 -11.209 -3.948 1.00 0.00 H new ATOM 1206 N THR A 90 15.788 -8.947 -0.174 1.00 0.00 N ATOM 1207 CA THR A 90 16.561 -9.240 1.020 1.00 0.00 C ATOM 1208 C THR A 90 15.978 -8.524 2.240 1.00 0.00 C ATOM 1209 O THR A 90 16.368 -8.794 3.378 1.00 0.00 O ATOM 1210 CB THR A 90 18.046 -8.844 0.843 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.844 -9.437 1.878 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.215 -7.330 0.868 1.00 0.00 C ATOM 0 H THR A 90 15.979 -8.035 -0.589 1.00 0.00 H new ATOM 0 HA THR A 90 16.507 -10.317 1.182 1.00 0.00 H new ATOM 0 HB THR A 90 18.379 -9.213 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.299 -9.557 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.268 -7.079 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.637 -6.886 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.861 -6.940 1.822 1.00 0.00 H new ATOM 1220 N ALA A 91 15.041 -7.614 2.002 1.00 0.00 N ATOM 1221 CA ALA A 91 14.420 -6.864 3.082 1.00 0.00 C ATOM 1222 C ALA A 91 12.935 -7.183 3.185 1.00 0.00 C ATOM 1223 O ALA A 91 12.356 -7.781 2.277 1.00 0.00 O ATOM 1224 CB ALA A 91 14.629 -5.372 2.884 1.00 0.00 C ATOM 0 H ALA A 91 14.696 -7.379 1.071 1.00 0.00 H new ATOM 0 HA ALA A 91 14.897 -7.162 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.157 -4.827 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.697 -5.153 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.183 -5.064 1.938 1.00 0.00 H new ATOM 1230 N ALA A 92 12.324 -6.787 4.295 1.00 0.00 N ATOM 1231 CA ALA A 92 10.908 -7.036 4.522 1.00 0.00 C ATOM 1232 C ALA A 92 10.051 -6.105 3.676 1.00 0.00 C ATOM 1233 O ALA A 92 10.465 -4.997 3.336 1.00 0.00 O ATOM 1234 CB ALA A 92 10.573 -6.874 6.000 1.00 0.00 C ATOM 0 H ALA A 92 12.790 -6.290 5.054 1.00 0.00 H new ATOM 0 HA ALA A 92 10.689 -8.061 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.511 -7.063 6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.157 -7.584 6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.811 -5.859 6.318 1.00 0.00 H new ATOM 1240 N CYS A 93 8.852 -6.553 3.351 1.00 0.00 N ATOM 1241 CA CYS A 93 7.934 -5.768 2.546 1.00 0.00 C ATOM 1242 C CYS A 93 6.577 -5.702 3.240 1.00 0.00 C ATOM 1243 O CYS A 93 6.272 -6.548 4.083 1.00 0.00 O ATOM 1244 CB CYS A 93 7.790 -6.407 1.163 1.00 0.00 C ATOM 1245 SG CYS A 93 7.727 -5.219 -0.218 1.00 0.00 S ATOM 0 H CYS A 93 8.489 -7.463 3.635 1.00 0.00 H new ATOM 0 HA CYS A 93 8.322 -4.756 2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.627 -7.087 1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.882 -7.010 1.148 1.00 0.00 H new ATOM 1250 N GLN A 94 5.766 -4.702 2.912 1.00 0.00 N ATOM 1251 CA GLN A 94 4.448 -4.577 3.519 1.00 0.00 C ATOM 1252 C GLN A 94 3.487 -3.843 2.596 1.00 0.00 C ATOM 1253 O GLN A 94 3.895 -3.259 1.593 1.00 0.00 O ATOM 1254 CB GLN A 94 4.537 -3.868 4.876 1.00 0.00 C ATOM 1255 CG GLN A 94 5.017 -2.429 4.810 1.00 0.00 C ATOM 1256 CD GLN A 94 5.160 -1.817 6.188 1.00 0.00 C ATOM 1257 OE1 GLN A 94 6.227 -1.874 6.799 1.00 0.00 O ATOM 1258 NE2 GLN A 94 4.080 -1.238 6.689 1.00 0.00 N ATOM 0 H GLN A 94 5.996 -3.973 2.236 1.00 0.00 H new ATOM 0 HA GLN A 94 4.060 -5.583 3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.554 -3.887 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.210 -4.432 5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.976 -2.390 4.294 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.314 -1.839 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.216 -1.214 6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.112 -0.816 7.617 1.00 0.00 H new ATOM 1267 N VAL A 95 2.211 -3.892 2.938 1.00 0.00 N ATOM 1268 CA VAL A 95 1.176 -3.239 2.154 1.00 0.00 C ATOM 1269 C VAL A 95 0.814 -1.899 2.780 1.00 0.00 C ATOM 1270 O VAL A 95 0.556 -1.820 3.983 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.092 -4.115 2.060 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.113 -3.491 1.119 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.262 -5.525 1.606 1.00 0.00 C ATOM 0 H VAL A 95 1.864 -4.383 3.762 1.00 0.00 H new ATOM 0 HA VAL A 95 1.568 -3.085 1.149 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.537 -4.175 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.997 -4.126 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.394 -2.505 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.679 -3.394 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.645 -6.126 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.735 -5.483 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.950 -5.976 2.322 1.00 0.00 H new ATOM 1283 N GLY A 96 0.808 -0.849 1.974 1.00 0.00 N ATOM 1284 CA GLY A 96 0.479 0.463 2.479 1.00 0.00 C ATOM 1285 C GLY A 96 -0.795 1.005 1.874 1.00 0.00 C ATOM 1286 O GLY A 96 -0.956 1.011 0.653 1.00 0.00 O ATOM 0 H GLY A 96 1.026 -0.884 0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.374 0.417 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.300 1.148 2.267 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.707 1.445 2.729 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.973 2.003 2.282 1.00 0.00 C ATOM 1292 C LEU A 97 -3.333 3.226 3.119 1.00 0.00 C ATOM 1293 O LEU A 97 -3.286 3.186 4.350 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.097 0.955 2.348 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.382 0.357 3.727 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.841 -0.057 3.827 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.483 -0.842 3.996 1.00 0.00 C ATOM 0 H LEU A 97 -1.591 1.425 3.742 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.862 2.308 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.014 1.412 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.848 0.142 1.667 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.173 1.119 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.032 -0.481 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.478 0.815 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.061 -0.802 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.705 -1.249 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.660 -1.607 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.439 -0.530 3.959 1.00 0.00 H new ATOM 1309 N SER A 98 -3.648 4.325 2.449 1.00 0.00 N ATOM 1310 CA SER A 98 -4.013 5.561 3.129 1.00 0.00 C ATOM 1311 C SER A 98 -4.940 6.400 2.256 1.00 0.00 C ATOM 1312 O SER A 98 -5.000 6.209 1.046 1.00 0.00 O ATOM 1313 CB SER A 98 -2.755 6.363 3.481 1.00 0.00 C ATOM 1314 OG SER A 98 -1.855 5.584 4.252 1.00 0.00 O ATOM 0 H SER A 98 -3.658 4.387 1.431 1.00 0.00 H new ATOM 0 HA SER A 98 -4.539 5.305 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.263 6.695 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.034 7.259 4.036 1.00 0.00 H new ATOM 0 HG SER A 98 -1.060 6.116 4.463 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.670 7.311 2.880 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.590 8.188 2.162 1.00 0.00 C ATOM 1322 C ASP A 99 -5.825 9.330 1.490 1.00 0.00 C ATOM 1323 O ASP A 99 -4.593 9.325 1.455 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.650 8.750 3.120 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.168 9.967 3.884 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.302 9.819 4.769 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.648 11.080 3.594 1.00 0.00 O ATOM 0 H ASP A 99 -5.645 7.465 3.888 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.092 7.604 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.542 9.014 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.940 7.974 3.828 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.563 10.305 0.967 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.967 11.456 0.301 1.00 0.00 C ATOM 1334 C ALA A 100 -5.033 12.214 1.240 1.00 0.00 C ATOM 1335 O ALA A 100 -4.011 12.749 0.809 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.055 12.378 -0.228 1.00 0.00 C ATOM 0 H ALA A 100 -7.583 10.319 0.993 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.374 11.093 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.597 13.234 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.677 11.836 -0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.672 12.726 0.601 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.388 12.263 2.517 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.566 12.940 3.507 1.00 0.00 C ATOM 1344 C ALA A 101 -3.364 12.080 3.886 1.00 0.00 C ATOM 1345 O ALA A 101 -2.216 12.525 3.798 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.388 13.274 4.740 1.00 0.00 C ATOM 0 H ALA A 101 -6.239 11.842 2.890 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.200 13.870 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.758 13.780 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.215 13.926 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.782 12.355 5.175 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.636 10.851 4.304 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.572 9.939 4.682 1.00 0.00 C ATOM 1354 C GLY A 102 -2.926 9.116 5.906 1.00 0.00 C ATOM 1355 O GLY A 102 -2.047 8.639 6.623 1.00 0.00 O ATOM 0 H GLY A 102 -4.577 10.467 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.356 9.271 3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.663 10.507 4.879 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.214 8.955 6.148 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.694 8.185 7.285 1.00 0.00 C ATOM 1361 C ASN A 103 -5.404 6.929 6.804 1.00 0.00 C ATOM 1362 O ASN A 103 -5.541 6.709 5.599 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.641 9.020 8.152 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.914 9.841 9.200 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.829 9.479 9.659 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.514 10.951 9.595 1.00 0.00 N ATOM 0 H ASN A 103 -4.954 9.350 5.568 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.833 7.902 7.891 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.218 9.687 7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.352 8.358 8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.079 11.542 10.304 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.412 11.217 9.191 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.851 6.109 7.740 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.538 4.888 7.387 1.00 0.00 C ATOM 1375 C GLY A 104 -6.017 3.699 8.168 1.00 0.00 C ATOM 1376 O GLY A 104 -5.261 3.873 9.126 1.00 0.00 O ATOM 0 H GLY A 104 -5.749 6.269 8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.605 5.005 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.420 4.701 6.320 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.410 2.477 7.780 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.976 1.249 8.454 1.00 0.00 C ATOM 1382 C PRO A 105 -4.458 1.094 8.444 1.00 0.00 C ATOM 1383 O PRO A 105 -3.798 1.433 7.460 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.643 0.131 7.641 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.770 0.796 6.926 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.309 2.197 6.652 1.00 0.00 C ATOM 0 HA PRO A 105 -6.256 1.241 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.941 -0.320 6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.003 -0.668 8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.008 0.274 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.675 0.794 7.534 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.791 2.272 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.144 2.897 6.618 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.914 0.597 9.546 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.478 0.398 9.682 1.00 0.00 C ATOM 1396 C GLU A 106 -1.950 -0.549 8.606 1.00 0.00 C ATOM 1397 O GLU A 106 -2.613 -1.527 8.248 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.165 -0.163 11.069 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.699 -0.087 11.453 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.447 -0.608 12.852 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.230 -1.828 13.004 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.473 0.195 13.806 1.00 0.00 O ATOM 0 H GLU A 106 -4.453 0.322 10.367 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.984 1.362 9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.752 0.380 11.810 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.486 -1.204 11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.108 -0.663 10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.361 0.947 11.386 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.765 -0.241 8.089 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.154 -1.070 7.069 1.00 0.00 C ATOM 1411 C GLY A 107 0.149 -2.462 7.580 1.00 0.00 C ATOM 1412 O GLY A 107 0.546 -2.634 8.737 1.00 0.00 O ATOM 0 H GLY A 107 -0.215 0.574 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.819 -1.136 6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.768 -0.601 6.724 1.00 0.00 H new ATOM 1416 N VAL A 108 -0.033 -3.454 6.723 1.00 0.00 N ATOM 1417 CA VAL A 108 0.201 -4.843 7.097 1.00 0.00 C ATOM 1418 C VAL A 108 1.474 -5.373 6.451 1.00 0.00 C ATOM 1419 O VAL A 108 1.668 -5.235 5.244 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.989 -5.737 6.690 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.776 -7.176 7.143 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.286 -5.184 7.256 1.00 0.00 C ATOM 0 H VAL A 108 -0.343 -3.324 5.760 1.00 0.00 H new ATOM 0 HA VAL A 108 0.311 -4.872 8.181 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.056 -5.736 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.630 -7.782 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.130 -7.572 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.675 -7.205 8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.115 -5.826 6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.223 -5.151 8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.451 -4.178 6.871 1.00 0.00 H new ATOM 1432 N ALA A 109 2.333 -5.980 7.260 1.00 0.00 N ATOM 1433 CA ALA A 109 3.587 -6.532 6.771 1.00 0.00 C ATOM 1434 C ALA A 109 3.377 -7.910 6.161 1.00 0.00 C ATOM 1435 O ALA A 109 2.490 -8.659 6.573 1.00 0.00 O ATOM 1436 CB ALA A 109 4.614 -6.598 7.893 1.00 0.00 C ATOM 0 H ALA A 109 2.182 -6.102 8.261 1.00 0.00 H new ATOM 0 HA ALA A 109 3.965 -5.871 5.991 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.546 -7.013 7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.796 -5.595 8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.237 -7.233 8.695 1.00 0.00 H new ATOM 1442 N ILE A 110 4.191 -8.235 5.168 1.00 0.00 N ATOM 1443 CA ILE A 110 4.105 -9.521 4.497 1.00 0.00 C ATOM 1444 C ILE A 110 5.456 -10.226 4.549 1.00 0.00 C ATOM 1445 O ILE A 110 6.451 -9.641 4.985 1.00 0.00 O ATOM 1446 CB ILE A 110 3.643 -9.375 3.027 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.624 -8.501 2.236 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.237 -8.793 2.974 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.274 -8.363 0.769 1.00 0.00 C ATOM 0 H ILE A 110 4.922 -7.621 4.808 1.00 0.00 H new ATOM 0 HA ILE A 110 3.358 -10.118 5.021 1.00 0.00 H new ATOM 0 HB ILE A 110 3.626 -10.363 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.657 -7.509 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.625 -8.924 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.923 -8.695 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.549 -9.455 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.231 -7.812 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.013 -7.731 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.269 -9.348 0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.287 -7.911 0.671 1.00 0.00 H new ATOM 1461 N SER A 111 5.490 -11.483 4.131 1.00 0.00 N ATOM 1462 CA SER A 111 6.724 -12.256 4.138 1.00 0.00 C ATOM 1463 C SER A 111 6.779 -13.181 2.927 1.00 0.00 C ATOM 1464 O SER A 111 5.790 -13.835 2.593 1.00 0.00 O ATOM 1465 CB SER A 111 6.827 -13.077 5.425 1.00 0.00 C ATOM 1466 OG SER A 111 6.608 -12.265 6.568 1.00 0.00 O ATOM 0 H SER A 111 4.676 -11.990 3.782 1.00 0.00 H new ATOM 0 HA SER A 111 7.565 -11.564 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.096 -13.885 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.812 -13.540 5.487 1.00 0.00 H new ATOM 0 HG SER A 111 6.678 -12.813 7.377 1.00 0.00 H new ATOM 1472 N PHE A 112 7.928 -13.221 2.272 1.00 0.00 N ATOM 1473 CA PHE A 112 8.115 -14.068 1.103 1.00 0.00 C ATOM 1474 C PHE A 112 8.548 -15.468 1.522 1.00 0.00 C ATOM 1475 O PHE A 112 9.118 -15.655 2.598 1.00 0.00 O ATOM 1476 CB PHE A 112 9.146 -13.453 0.156 1.00 0.00 C ATOM 1477 CG PHE A 112 8.648 -12.225 -0.559 1.00 0.00 C ATOM 1478 CD1 PHE A 112 8.773 -10.969 0.016 1.00 0.00 C ATOM 1479 CD2 PHE A 112 8.054 -12.327 -1.809 1.00 0.00 C ATOM 1480 CE1 PHE A 112 8.319 -9.841 -0.643 1.00 0.00 C ATOM 1481 CE2 PHE A 112 7.600 -11.202 -2.472 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.732 -9.958 -1.887 1.00 0.00 C ATOM 0 H PHE A 112 8.749 -12.674 2.531 1.00 0.00 H new ATOM 0 HA PHE A 112 7.163 -14.143 0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.041 -13.196 0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.440 -14.199 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 112 9.230 -10.871 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.945 -13.298 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 112 8.424 -8.869 -0.184 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.143 -11.296 -3.446 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.376 -9.078 -2.402 1.00 0.00 H new ATOM 1492 N ASN A 113 8.269 -16.446 0.676 1.00 0.00 N ATOM 1493 CA ASN A 113 8.624 -17.828 0.970 1.00 0.00 C ATOM 1494 C ASN A 113 10.061 -18.111 0.560 1.00 0.00 C ATOM 1495 O ASN A 113 10.665 -19.055 1.110 1.00 0.00 O ATOM 1496 CB ASN A 113 7.664 -18.798 0.266 1.00 0.00 C ATOM 1497 CG ASN A 113 8.088 -19.140 -1.153 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.807 -20.111 -1.388 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.637 -18.349 -2.108 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.587 -17.383 -0.310 1.00 0.00 O ATOM 0 H ASN A 113 7.799 -16.311 -0.219 1.00 0.00 H new ATOM 0 HA ASN A 113 8.536 -17.979 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.595 -19.717 0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.667 -18.359 0.244 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.882 -18.533 -3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.043 -17.554 -1.873 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.664 5.967 4.227 1.00 20.00 O HETATM 1509 C8A FLN A 114 4.017 7.246 3.822 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.353 7.541 2.489 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.327 6.440 1.486 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.947 5.118 1.988 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.638 4.930 3.298 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.224 3.686 4.036 1.00 20.00 C HETATM 1515 C2' FLN A 114 4.152 2.681 4.305 1.00 20.00 C HETATM 1516 C3' FLN A 114 3.753 1.534 4.993 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.437 1.332 5.437 1.00 20.00 C HETATM 1518 C5' FLN A 114 1.538 2.364 5.145 1.00 20.00 C HETATM 1519 C6' FLN A 114 1.907 3.518 4.460 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.614 6.645 0.298 1.00 20.00 O HETATM 1521 C5 FLN A 114 4.701 8.873 2.142 1.00 20.00 C HETATM 1522 C6 FLN A 114 4.705 9.869 3.135 1.00 20.00 C HETATM 1523 C7 FLN A 114 4.362 9.532 4.463 1.00 20.00 C HETATM 1524 C8 FLN A 114 4.019 8.225 4.807 1.00 20.00 C HETATM 0 H8 FLN A 114 3.756 7.975 5.835 1.00 20.00 H new HETATM 0 H7 FLN A 114 4.365 10.306 5.231 1.00 20.00 H new HETATM 0 H6' FLN A 114 1.166 4.291 4.255 1.00 20.00 H new HETATM 0 H6 FLN A 114 4.971 10.895 2.881 1.00 20.00 H new HETATM 0 H5' FLN A 114 0.502 2.259 5.469 1.00 20.00 H new HETATM 0 H5 FLN A 114 4.963 9.122 1.114 1.00 20.00 H new HETATM 0 H4' FLN A 114 2.136 0.432 5.973 1.00 20.00 H new HETATM 0 H3' FLN A 114 4.496 0.762 5.194 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.911 4.272 1.301 1.00 20.00 H new HETATM 0 H2' FLN A 114 5.186 2.791 3.979 1.00 20.00 H new