USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 795 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 Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -139:sc= -12.1! (180deg=-19.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -3.48 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -2.47! C(o=-3.9!,f=-2.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0476 USER MOD Single : A 40 SER OG : rot 150:sc= -0.0782 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -9.73! C(o=-9.7!,f=-11!) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0358) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 87 GLN : amide:sc=-0.00515 X(o=-0.0051,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 19.668 4.384 -3.090 1.00 0.00 N ATOM 2 CA GLY A -2 18.766 4.728 -2.005 1.00 0.00 C ATOM 3 C GLY A -2 17.607 5.592 -2.508 1.00 0.00 C ATOM 4 O GLY A -2 16.493 5.102 -2.682 1.00 0.00 O ATOM 0 H1 GLY A -2 20.445 3.798 -2.723 1.00 0.00 H new ATOM 0 H2 GLY A -2 19.149 3.854 -3.818 1.00 0.00 H new ATOM 0 H3 GLY A -2 20.057 5.254 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A -2 18.375 3.818 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A -2 19.313 5.263 -1.229 1.00 0.00 H new ATOM 8 N SER A -1 17.911 6.863 -2.728 1.00 0.00 N ATOM 9 CA SER A -1 16.909 7.799 -3.208 1.00 0.00 C ATOM 10 C SER A -1 16.768 7.681 -4.727 1.00 0.00 C ATOM 11 O SER A -1 17.327 8.486 -5.470 1.00 0.00 O ATOM 12 CB SER A -1 17.266 9.235 -2.818 1.00 0.00 C ATOM 13 OG SER A -1 17.528 9.360 -1.423 1.00 0.00 O ATOM 0 H SER A -1 18.837 7.266 -2.583 1.00 0.00 H new ATOM 0 HA SER A -1 15.956 7.550 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.142 9.557 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A -1 16.448 9.900 -3.094 1.00 0.00 H new ATOM 0 HG SER A -1 17.754 10.291 -1.215 1.00 0.00 H new ATOM 19 N HIS A 0 16.017 6.672 -5.143 1.00 0.00 N ATOM 20 CA HIS A 0 15.795 6.439 -6.560 1.00 0.00 C ATOM 21 C HIS A 0 14.737 5.348 -6.741 1.00 0.00 C ATOM 22 O HIS A 0 14.750 4.343 -6.031 1.00 0.00 O ATOM 23 CB HIS A 0 17.110 6.113 -7.269 1.00 0.00 C ATOM 24 CG HIS A 0 17.049 6.253 -8.772 1.00 0.00 C ATOM 25 ND1 HIS A 0 17.250 7.459 -9.421 1.00 0.00 N ATOM 26 CD2 HIS A 0 16.809 5.328 -9.744 1.00 0.00 C ATOM 27 CE1 HIS A 0 17.132 7.256 -10.725 1.00 0.00 C ATOM 28 NE2 HIS A 0 16.858 5.935 -10.923 1.00 0.00 N ATOM 0 H HIS A 0 15.555 6.006 -4.524 1.00 0.00 H new ATOM 0 HA HIS A 0 15.414 7.347 -7.026 1.00 0.00 H new ATOM 0 HB2 HIS A 0 17.891 6.770 -6.885 1.00 0.00 H new ATOM 0 HB3 HIS A 0 17.401 5.092 -7.021 1.00 0.00 H new ATOM 0 HD2 HIS A 0 16.612 4.279 -9.582 1.00 0.00 H new ATOM 0 HE1 HIS A 0 17.235 8.005 -11.496 1.00 0.00 H new ATOM 0 HE2 HIS A 0 16.714 5.487 -11.828 1.00 0.00 H new ATOM 36 N MET A 1 13.848 5.583 -7.694 1.00 0.00 N ATOM 37 CA MET A 1 12.786 4.633 -7.977 1.00 0.00 C ATOM 38 C MET A 1 12.162 4.901 -9.348 1.00 0.00 C ATOM 39 O MET A 1 12.492 5.889 -10.002 1.00 0.00 O ATOM 40 CB MET A 1 11.707 4.735 -6.896 1.00 0.00 C ATOM 41 CG MET A 1 10.607 5.714 -7.311 1.00 0.00 C ATOM 42 SD MET A 1 9.394 5.856 -6.009 1.00 0.00 S ATOM 43 CE MET A 1 8.885 4.151 -5.873 1.00 0.00 C ATOM 0 H MET A 1 13.841 6.418 -8.280 1.00 0.00 H new ATOM 0 HA MET A 1 13.213 3.630 -7.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.274 3.751 -6.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.156 5.063 -5.958 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.040 6.691 -7.524 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.129 5.370 -8.228 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.804 4.103 -5.741 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.164 3.615 -6.780 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.376 3.692 -5.015 1.00 0.00 H new ATOM 53 N ASP A 2 11.271 4.003 -9.743 1.00 0.00 N ATOM 54 CA ASP A 2 10.597 4.130 -11.024 1.00 0.00 C ATOM 55 C ASP A 2 9.284 3.346 -10.985 1.00 0.00 C ATOM 56 O ASP A 2 9.130 2.426 -10.184 1.00 0.00 O ATOM 57 CB ASP A 2 11.455 3.560 -12.156 1.00 0.00 C ATOM 58 CG ASP A 2 12.941 3.916 -12.084 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.296 4.983 -12.629 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.689 3.113 -11.485 1.00 0.00 O ATOM 0 H ASP A 2 11.000 3.184 -9.198 1.00 0.00 H new ATOM 0 HA ASP A 2 10.416 5.189 -11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.357 2.474 -12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.058 3.915 -13.107 1.00 0.00 H new ATOM 65 N LEU A 3 8.371 3.740 -11.861 1.00 0.00 N ATOM 66 CA LEU A 3 7.076 3.086 -11.937 1.00 0.00 C ATOM 67 C LEU A 3 7.277 1.598 -12.233 1.00 0.00 C ATOM 68 O LEU A 3 6.652 0.746 -11.603 1.00 0.00 O ATOM 69 CB LEU A 3 6.174 3.797 -12.947 1.00 0.00 C ATOM 70 CG LEU A 3 5.392 5.001 -12.418 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.203 4.551 -11.566 1.00 0.00 C ATOM 72 CD2 LEU A 3 6.311 5.961 -11.658 1.00 0.00 C ATOM 0 H LEU A 3 8.503 4.504 -12.524 1.00 0.00 H new ATOM 0 HA LEU A 3 6.559 3.154 -10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.789 4.128 -13.784 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.462 3.072 -13.342 1.00 0.00 H new ATOM 0 HG LEU A 3 4.989 5.548 -13.270 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.664 5.426 -11.202 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.534 3.938 -12.170 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.563 3.968 -10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.730 6.808 -11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.763 5.440 -10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.095 6.319 -12.325 1.00 0.00 H new ATOM 84 N GLU A 4 8.152 1.332 -13.191 1.00 0.00 N ATOM 85 CA GLU A 4 8.444 -0.038 -13.578 1.00 0.00 C ATOM 86 C GLU A 4 9.037 -0.809 -12.398 1.00 0.00 C ATOM 87 O GLU A 4 8.652 -1.948 -12.138 1.00 0.00 O ATOM 88 CB GLU A 4 9.381 -0.079 -14.787 1.00 0.00 C ATOM 89 CG GLU A 4 8.589 -0.136 -16.094 1.00 0.00 C ATOM 90 CD GLU A 4 8.745 -1.499 -16.771 1.00 0.00 C ATOM 91 OE1 GLU A 4 8.451 -2.507 -16.092 1.00 0.00 O ATOM 92 OE2 GLU A 4 9.154 -1.503 -17.952 1.00 0.00 O ATOM 0 H GLU A 4 8.668 2.042 -13.711 1.00 0.00 H new ATOM 0 HA GLU A 4 7.510 -0.519 -13.868 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.022 0.803 -14.785 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.034 -0.949 -14.716 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.535 0.056 -15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.933 0.650 -16.767 1.00 0.00 H new ATOM 99 N THR A 5 9.966 -0.157 -11.713 1.00 0.00 N ATOM 100 CA THR A 5 10.617 -0.766 -10.566 1.00 0.00 C ATOM 101 C THR A 5 9.593 -1.066 -9.469 1.00 0.00 C ATOM 102 O THR A 5 9.688 -2.086 -8.788 1.00 0.00 O ATOM 103 CB THR A 5 11.741 0.165 -10.110 1.00 0.00 C ATOM 104 OG1 THR A 5 12.925 -0.448 -10.612 1.00 0.00 O ATOM 105 CG2 THR A 5 11.931 0.155 -8.592 1.00 0.00 C ATOM 0 H THR A 5 10.283 0.788 -11.931 1.00 0.00 H new ATOM 0 HA THR A 5 11.059 -1.728 -10.827 1.00 0.00 H new ATOM 0 HB THR A 5 11.527 1.181 -10.442 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.704 0.092 -10.363 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.741 0.833 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.010 0.480 -8.108 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.178 -0.854 -8.263 1.00 0.00 H new ATOM 113 N LEU A 6 8.638 -0.158 -9.332 1.00 0.00 N ATOM 114 CA LEU A 6 7.598 -0.312 -8.329 1.00 0.00 C ATOM 115 C LEU A 6 6.864 -1.635 -8.560 1.00 0.00 C ATOM 116 O LEU A 6 6.542 -2.344 -7.609 1.00 0.00 O ATOM 117 CB LEU A 6 6.675 0.909 -8.322 1.00 0.00 C ATOM 118 CG LEU A 6 7.157 2.109 -7.504 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.996 3.410 -8.291 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.450 2.167 -6.148 1.00 0.00 C ATOM 0 H LEU A 6 8.563 0.687 -9.899 1.00 0.00 H new ATOM 0 HA LEU A 6 8.035 -0.359 -7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.526 1.233 -9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.701 0.602 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 6 8.222 1.983 -7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.346 4.247 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.582 3.355 -9.208 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.945 3.557 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.810 3.029 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.375 2.258 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.661 1.255 -5.589 1.00 0.00 H new ATOM 132 N ARG A 7 6.623 -1.927 -9.830 1.00 0.00 N ATOM 133 CA ARG A 7 5.934 -3.152 -10.198 1.00 0.00 C ATOM 134 C ARG A 7 6.770 -4.371 -9.802 1.00 0.00 C ATOM 135 O ARG A 7 6.236 -5.358 -9.299 1.00 0.00 O ATOM 136 CB ARG A 7 5.657 -3.198 -11.702 1.00 0.00 C ATOM 137 CG ARG A 7 5.245 -1.821 -12.226 1.00 0.00 C ATOM 138 CD ARG A 7 4.344 -1.100 -11.222 1.00 0.00 C ATOM 139 NE ARG A 7 3.367 -0.249 -11.938 1.00 0.00 N ATOM 140 CZ ARG A 7 2.490 0.563 -11.331 1.00 0.00 C ATOM 141 NH1 ARG A 7 2.462 0.638 -9.993 1.00 0.00 N ATOM 142 NH2 ARG A 7 1.641 1.298 -12.061 1.00 0.00 N ATOM 0 H ARG A 7 6.893 -1.336 -10.617 1.00 0.00 H new ATOM 0 HA ARG A 7 4.984 -3.171 -9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.548 -3.540 -12.229 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.867 -3.921 -11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.134 -1.220 -12.419 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.722 -1.931 -13.176 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.820 -1.828 -10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.949 -0.489 -10.552 1.00 0.00 H new ATOM 0 HE ARG A 7 3.361 -0.283 -12.957 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.108 0.077 -9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.795 1.256 -9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.662 1.240 -13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.974 1.916 -11.599 1.00 0.00 H new ATOM 156 N ALA A 8 8.068 -4.262 -10.045 1.00 0.00 N ATOM 157 CA ALA A 8 8.984 -5.342 -9.721 1.00 0.00 C ATOM 158 C ALA A 8 8.926 -5.620 -8.217 1.00 0.00 C ATOM 159 O ALA A 8 8.719 -6.758 -7.800 1.00 0.00 O ATOM 160 CB ALA A 8 10.392 -4.977 -10.193 1.00 0.00 C ATOM 0 H ALA A 8 8.507 -3.442 -10.463 1.00 0.00 H new ATOM 0 HA ALA A 8 8.695 -6.258 -10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.079 -5.788 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.385 -4.819 -11.271 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.717 -4.064 -9.695 1.00 0.00 H new ATOM 166 N ARG A 9 9.112 -4.560 -7.445 1.00 0.00 N ATOM 167 CA ARG A 9 9.084 -4.675 -5.997 1.00 0.00 C ATOM 168 C ARG A 9 7.662 -4.967 -5.515 1.00 0.00 C ATOM 169 O ARG A 9 7.471 -5.628 -4.496 1.00 0.00 O ATOM 170 CB ARG A 9 9.587 -3.392 -5.332 1.00 0.00 C ATOM 171 CG ARG A 9 9.122 -2.156 -6.104 1.00 0.00 C ATOM 172 CD ARG A 9 8.526 -1.111 -5.159 1.00 0.00 C ATOM 173 NE ARG A 9 9.186 0.197 -5.370 1.00 0.00 N ATOM 174 CZ ARG A 9 10.509 0.393 -5.285 1.00 0.00 C ATOM 175 NH1 ARG A 9 11.321 -0.632 -4.993 1.00 0.00 N ATOM 176 NH2 ARG A 9 11.020 1.615 -5.492 1.00 0.00 N ATOM 0 H ARG A 9 9.283 -3.617 -7.795 1.00 0.00 H new ATOM 0 HA ARG A 9 9.742 -5.498 -5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.222 -3.343 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.676 -3.406 -5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.963 -1.724 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.379 -2.445 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.454 -1.019 -5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.654 -1.429 -4.124 1.00 0.00 H new ATOM 0 HE ARG A 9 8.597 0.999 -5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.932 -1.562 -4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.328 -0.483 -4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.402 2.395 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.027 1.764 -5.427 1.00 0.00 H new ATOM 190 N ARG A 10 6.699 -4.459 -6.271 1.00 0.00 N ATOM 191 CA ARG A 10 5.300 -4.656 -5.934 1.00 0.00 C ATOM 192 C ARG A 10 4.989 -6.149 -5.813 1.00 0.00 C ATOM 193 O ARG A 10 4.330 -6.576 -4.866 1.00 0.00 O ATOM 194 CB ARG A 10 4.385 -4.035 -6.992 1.00 0.00 C ATOM 195 CG ARG A 10 3.368 -3.090 -6.350 1.00 0.00 C ATOM 196 CD ARG A 10 3.927 -1.670 -6.248 1.00 0.00 C ATOM 197 NE ARG A 10 4.558 -1.468 -4.925 1.00 0.00 N ATOM 198 CZ ARG A 10 3.902 -1.555 -3.759 1.00 0.00 C ATOM 199 NH1 ARG A 10 2.593 -1.842 -3.746 1.00 0.00 N ATOM 200 NH2 ARG A 10 4.556 -1.357 -2.606 1.00 0.00 N ATOM 0 H ARG A 10 6.861 -3.911 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 10 5.117 -4.164 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.984 -3.489 -7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.863 -4.823 -7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.451 -3.082 -6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.105 -3.453 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.658 -1.501 -7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.127 -0.944 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 10 5.554 -1.249 -4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.096 -1.994 -4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.094 -1.908 -2.859 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.553 -1.140 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.057 -1.423 -1.719 1.00 0.00 H new ATOM 214 N GLU A 11 5.477 -6.903 -6.787 1.00 0.00 N ATOM 215 CA GLU A 11 5.259 -8.340 -6.802 1.00 0.00 C ATOM 216 C GLU A 11 5.800 -8.972 -5.518 1.00 0.00 C ATOM 217 O GLU A 11 5.138 -9.811 -4.909 1.00 0.00 O ATOM 218 CB GLU A 11 5.896 -8.978 -8.038 1.00 0.00 C ATOM 219 CG GLU A 11 4.838 -9.308 -9.092 1.00 0.00 C ATOM 220 CD GLU A 11 5.403 -10.243 -10.164 1.00 0.00 C ATOM 221 OE1 GLU A 11 6.588 -10.053 -10.515 1.00 0.00 O ATOM 222 OE2 GLU A 11 4.638 -11.127 -10.607 1.00 0.00 O ATOM 0 H GLU A 11 6.023 -6.546 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 11 4.186 -8.525 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.636 -8.299 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.424 -9.887 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.977 -9.775 -8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.484 -8.388 -9.557 1.00 0.00 H new ATOM 229 N ALA A 12 6.998 -8.546 -5.146 1.00 0.00 N ATOM 230 CA ALA A 12 7.635 -9.060 -3.945 1.00 0.00 C ATOM 231 C ALA A 12 6.918 -8.503 -2.714 1.00 0.00 C ATOM 232 O ALA A 12 6.776 -9.196 -1.708 1.00 0.00 O ATOM 233 CB ALA A 12 9.123 -8.704 -3.965 1.00 0.00 C ATOM 0 H ALA A 12 7.544 -7.851 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 12 7.560 -10.147 -3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.601 -9.089 -3.065 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.592 -9.148 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.237 -7.621 -4.002 1.00 0.00 H new ATOM 239 N VAL A 13 6.485 -7.256 -2.834 1.00 0.00 N ATOM 240 CA VAL A 13 5.787 -6.598 -1.744 1.00 0.00 C ATOM 241 C VAL A 13 4.418 -7.254 -1.552 1.00 0.00 C ATOM 242 O VAL A 13 3.927 -7.357 -0.428 1.00 0.00 O ATOM 243 CB VAL A 13 5.697 -5.094 -2.011 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.626 -4.444 -1.134 1.00 0.00 C ATOM 245 CG2 VAL A 13 7.056 -4.420 -1.808 1.00 0.00 C ATOM 0 H VAL A 13 6.605 -6.684 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 13 6.338 -6.716 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 13 5.406 -4.955 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.583 -3.375 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.657 -4.895 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.873 -4.598 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.965 -3.352 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.389 -4.574 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.783 -4.854 -2.494 1.00 0.00 H new ATOM 255 N LEU A 14 3.840 -7.680 -2.665 1.00 0.00 N ATOM 256 CA LEU A 14 2.537 -8.322 -2.633 1.00 0.00 C ATOM 257 C LEU A 14 2.649 -9.658 -1.896 1.00 0.00 C ATOM 258 O LEU A 14 1.782 -10.004 -1.095 1.00 0.00 O ATOM 259 CB LEU A 14 1.966 -8.447 -4.048 1.00 0.00 C ATOM 260 CG LEU A 14 1.291 -7.195 -4.611 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.224 -7.385 -4.706 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.663 -5.956 -3.794 1.00 0.00 C ATOM 0 H LEU A 14 4.250 -7.593 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 14 1.825 -7.710 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.774 -8.734 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.241 -9.261 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 14 1.660 -7.035 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.680 -6.481 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.445 -8.226 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.629 -7.584 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.170 -5.080 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.342 -6.091 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.743 -5.813 -3.822 1.00 0.00 H new ATOM 274 N SER A 15 3.725 -10.372 -2.192 1.00 0.00 N ATOM 275 CA SER A 15 3.962 -11.662 -1.567 1.00 0.00 C ATOM 276 C SER A 15 4.148 -11.486 -0.058 1.00 0.00 C ATOM 277 O SER A 15 3.569 -12.229 0.733 1.00 0.00 O ATOM 278 CB SER A 15 5.185 -12.353 -2.175 1.00 0.00 C ATOM 279 OG SER A 15 4.817 -13.397 -3.072 1.00 0.00 O ATOM 0 H SER A 15 4.442 -10.082 -2.856 1.00 0.00 H new ATOM 0 HA SER A 15 3.093 -12.295 -1.749 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.791 -11.618 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.804 -12.762 -1.377 1.00 0.00 H new ATOM 0 HG SER A 15 5.625 -13.812 -3.440 1.00 0.00 H new ATOM 285 N LEU A 16 4.959 -10.499 0.295 1.00 0.00 N ATOM 286 CA LEU A 16 5.228 -10.217 1.694 1.00 0.00 C ATOM 287 C LEU A 16 3.998 -9.559 2.323 1.00 0.00 C ATOM 288 O LEU A 16 3.683 -9.808 3.486 1.00 0.00 O ATOM 289 CB LEU A 16 6.508 -9.391 1.838 1.00 0.00 C ATOM 290 CG LEU A 16 6.545 -8.072 1.063 1.00 0.00 C ATOM 291 CD1 LEU A 16 5.768 -6.980 1.800 1.00 0.00 C ATOM 292 CD2 LEU A 16 7.986 -7.650 0.768 1.00 0.00 C ATOM 0 H LEU A 16 5.438 -9.885 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 16 5.410 -11.142 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.659 -9.173 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.350 -10.003 1.515 1.00 0.00 H new ATOM 0 HG LEU A 16 6.051 -8.226 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.811 -6.054 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.729 -7.288 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.210 -6.819 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.984 -6.710 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.526 -7.520 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.476 -8.420 0.171 1.00 0.00 H new ATOM 304 N CYS A 17 3.337 -8.732 1.527 1.00 0.00 N ATOM 305 CA CYS A 17 2.148 -8.037 1.991 1.00 0.00 C ATOM 306 C CYS A 17 1.124 -9.082 2.440 1.00 0.00 C ATOM 307 O CYS A 17 0.452 -8.901 3.454 1.00 0.00 O ATOM 308 CB CYS A 17 1.581 -7.107 0.916 1.00 0.00 C ATOM 309 SG CYS A 17 2.352 -5.453 1.050 1.00 0.00 S ATOM 0 H CYS A 17 3.602 -8.527 0.564 1.00 0.00 H new ATOM 0 HA CYS A 17 2.404 -7.396 2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.767 -7.525 -0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.500 -7.024 1.029 1.00 0.00 H new ATOM 0 HG CYS A 17 1.866 -4.672 0.132 1.00 0.00 H new ATOM 315 N ALA A 18 1.039 -10.151 1.662 1.00 0.00 N ATOM 316 CA ALA A 18 0.108 -11.225 1.967 1.00 0.00 C ATOM 317 C ALA A 18 0.564 -11.943 3.239 1.00 0.00 C ATOM 318 O ALA A 18 -0.262 -12.381 4.038 1.00 0.00 O ATOM 319 CB ALA A 18 0.009 -12.170 0.768 1.00 0.00 C ATOM 0 H ALA A 18 1.599 -10.297 0.822 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.890 -10.827 2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.689 -12.976 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.346 -11.618 -0.102 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.991 -12.591 0.554 1.00 0.00 H new ATOM 325 N ARG A 19 1.877 -12.041 3.387 1.00 0.00 N ATOM 326 CA ARG A 19 2.452 -12.698 4.549 1.00 0.00 C ATOM 327 C ARG A 19 2.316 -11.806 5.785 1.00 0.00 C ATOM 328 O ARG A 19 2.156 -12.303 6.898 1.00 0.00 O ATOM 329 CB ARG A 19 3.929 -13.023 4.322 1.00 0.00 C ATOM 330 CG ARG A 19 4.131 -14.521 4.085 1.00 0.00 C ATOM 331 CD ARG A 19 4.763 -14.778 2.715 1.00 0.00 C ATOM 332 NE ARG A 19 6.170 -15.210 2.880 1.00 0.00 N ATOM 333 CZ ARG A 19 6.964 -15.585 1.868 1.00 0.00 C ATOM 334 NH1 ARG A 19 6.495 -15.584 0.613 1.00 0.00 N ATOM 335 NH2 ARG A 19 8.227 -15.961 2.112 1.00 0.00 N ATOM 0 H ARG A 19 2.559 -11.677 2.722 1.00 0.00 H new ATOM 0 HA ARG A 19 1.907 -13.629 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.301 -12.462 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.512 -12.706 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.768 -14.934 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.172 -15.036 4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.199 -15.544 2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.720 -13.872 2.110 1.00 0.00 H new ATOM 0 HE ARG A 19 6.559 -15.223 3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.534 -15.298 0.428 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.099 -15.869 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.583 -15.962 3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.832 -16.247 1.342 1.00 0.00 H new ATOM 349 N HIS A 20 2.385 -10.504 5.546 1.00 0.00 N ATOM 350 CA HIS A 20 2.273 -9.539 6.626 1.00 0.00 C ATOM 351 C HIS A 20 0.797 -9.305 6.953 1.00 0.00 C ATOM 352 O HIS A 20 0.467 -8.449 7.773 1.00 0.00 O ATOM 353 CB HIS A 20 3.015 -8.247 6.279 1.00 0.00 C ATOM 354 CG HIS A 20 4.518 -8.357 6.375 1.00 0.00 C ATOM 355 ND1 HIS A 20 5.465 -8.505 5.404 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 5.197 -8.320 7.580 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 6.657 -8.554 5.985 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 6.493 -8.440 7.334 1.00 0.00 N flip ATOM 0 H HIS A 20 2.517 -10.096 4.621 1.00 0.00 H new ATOM 0 HA HIS A 20 2.750 -9.934 7.523 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.747 -7.947 5.266 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.676 -7.455 6.946 1.00 0.00 H new ATOM 0 HD1 HIS A 20 5.287 -8.567 4.402 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.747 -8.212 8.556 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.602 -8.666 5.474 1.00 0.00 H new ATOM 366 N GLY A 21 -0.052 -10.080 6.295 1.00 0.00 N ATOM 367 CA GLY A 21 -1.486 -9.968 6.505 1.00 0.00 C ATOM 368 C GLY A 21 -2.084 -8.864 5.632 1.00 0.00 C ATOM 369 O GLY A 21 -2.507 -7.827 6.139 1.00 0.00 O ATOM 0 H GLY A 21 0.225 -10.789 5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.966 -10.919 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.688 -9.756 7.555 1.00 0.00 H new ATOM 373 N ALA A 22 -2.099 -9.124 4.333 1.00 0.00 N ATOM 374 CA ALA A 22 -2.638 -8.165 3.383 1.00 0.00 C ATOM 375 C ALA A 22 -3.416 -8.911 2.297 1.00 0.00 C ATOM 376 O ALA A 22 -2.829 -9.638 1.497 1.00 0.00 O ATOM 377 CB ALA A 22 -1.499 -7.320 2.809 1.00 0.00 C ATOM 0 H ALA A 22 -1.746 -9.985 3.916 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.332 -7.484 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.903 -6.601 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.998 -6.788 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.784 -7.969 2.304 1.00 0.00 H new ATOM 383 N VAL A 23 -4.725 -8.705 2.304 1.00 0.00 N ATOM 384 CA VAL A 23 -5.589 -9.349 1.329 1.00 0.00 C ATOM 385 C VAL A 23 -6.069 -8.310 0.315 1.00 0.00 C ATOM 386 O VAL A 23 -6.135 -8.588 -0.881 1.00 0.00 O ATOM 387 CB VAL A 23 -6.738 -10.066 2.041 1.00 0.00 C ATOM 388 CG1 VAL A 23 -6.321 -11.473 2.475 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.238 -9.250 3.235 1.00 0.00 C ATOM 0 H VAL A 23 -5.208 -8.101 2.969 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.040 -10.112 0.777 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.561 -10.163 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.156 -11.961 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.036 -12.055 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.474 -11.407 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.054 -9.782 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.423 -9.106 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.593 -8.279 2.889 1.00 0.00 H new ATOM 399 N ARG A 24 -6.393 -7.133 0.830 1.00 0.00 N ATOM 400 CA ARG A 24 -6.866 -6.050 -0.016 1.00 0.00 C ATOM 401 C ARG A 24 -5.682 -5.282 -0.607 1.00 0.00 C ATOM 402 O ARG A 24 -5.632 -4.056 -0.529 1.00 0.00 O ATOM 403 CB ARG A 24 -7.751 -5.082 0.772 1.00 0.00 C ATOM 404 CG ARG A 24 -9.212 -5.533 0.750 1.00 0.00 C ATOM 405 CD ARG A 24 -10.113 -4.446 0.161 1.00 0.00 C ATOM 406 NE ARG A 24 -11.357 -5.050 -0.366 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.422 -5.776 -1.491 1.00 0.00 C ATOM 408 NH1 ARG A 24 -10.314 -5.992 -2.213 1.00 0.00 N ATOM 409 NH2 ARG A 24 -12.594 -6.286 -1.893 1.00 0.00 N ATOM 0 H ARG A 24 -6.337 -6.905 1.823 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.455 -6.491 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.401 -5.021 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.669 -4.081 0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.306 -6.446 0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.538 -5.771 1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.353 -3.707 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.588 -3.920 -0.636 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.219 -4.905 0.160 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.422 -5.604 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.363 -6.544 -3.069 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.437 -6.122 -1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.643 -6.838 -2.749 1.00 0.00 H new ATOM 423 N VAL A 25 -4.757 -6.036 -1.184 1.00 0.00 N ATOM 424 CA VAL A 25 -3.577 -5.442 -1.788 1.00 0.00 C ATOM 425 C VAL A 25 -3.995 -4.603 -2.997 1.00 0.00 C ATOM 426 O VAL A 25 -4.331 -5.147 -4.048 1.00 0.00 O ATOM 427 CB VAL A 25 -2.563 -6.533 -2.139 1.00 0.00 C ATOM 428 CG1 VAL A 25 -2.926 -7.213 -3.460 1.00 0.00 C ATOM 429 CG2 VAL A 25 -1.142 -5.967 -2.185 1.00 0.00 C ATOM 0 H VAL A 25 -4.801 -7.053 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.083 -4.773 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.597 -7.288 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.190 -7.984 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.913 -7.667 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.934 -6.473 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.441 -6.763 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.087 -5.183 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.884 -5.551 -1.211 1.00 0.00 H new ATOM 439 N ARG A 26 -3.961 -3.292 -2.808 1.00 0.00 N ATOM 440 CA ARG A 26 -4.333 -2.373 -3.870 1.00 0.00 C ATOM 441 C ARG A 26 -3.604 -1.039 -3.696 1.00 0.00 C ATOM 442 O ARG A 26 -3.209 -0.683 -2.587 1.00 0.00 O ATOM 443 CB ARG A 26 -5.842 -2.124 -3.880 1.00 0.00 C ATOM 444 CG ARG A 26 -6.544 -3.051 -4.875 1.00 0.00 C ATOM 445 CD ARG A 26 -7.951 -3.409 -4.393 1.00 0.00 C ATOM 446 NE ARG A 26 -7.936 -4.727 -3.722 1.00 0.00 N ATOM 447 CZ ARG A 26 -8.081 -5.897 -4.360 1.00 0.00 C ATOM 448 NH1 ARG A 26 -8.252 -5.919 -5.689 1.00 0.00 N ATOM 449 NH2 ARG A 26 -8.054 -7.045 -3.669 1.00 0.00 N ATOM 0 H ARG A 26 -3.682 -2.844 -1.935 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.046 -2.828 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.247 -2.283 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.041 -1.085 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.602 -2.567 -5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.958 -3.961 -5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.314 -2.646 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.639 -3.430 -5.238 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.807 -4.747 -2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.272 -5.045 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.362 -6.809 -6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.923 -7.028 -2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.164 -7.935 -4.155 1.00 0.00 H new ATOM 463 N VAL A 27 -3.449 -0.336 -4.809 1.00 0.00 N ATOM 464 CA VAL A 27 -2.775 0.951 -4.793 1.00 0.00 C ATOM 465 C VAL A 27 -3.773 2.049 -5.167 1.00 0.00 C ATOM 466 O VAL A 27 -4.269 2.085 -6.292 1.00 0.00 O ATOM 467 CB VAL A 27 -1.554 0.914 -5.716 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.946 0.470 -7.126 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.847 2.270 -5.743 1.00 0.00 C ATOM 0 H VAL A 27 -3.779 -0.634 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.404 1.175 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.854 0.180 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.060 0.452 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.383 -0.528 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.674 1.168 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.017 2.217 -6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.536 3.033 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.517 2.528 -4.737 1.00 0.00 H new ATOM 479 N PHE A 28 -4.037 2.917 -4.201 1.00 0.00 N ATOM 480 CA PHE A 28 -4.967 4.013 -4.414 1.00 0.00 C ATOM 481 C PHE A 28 -4.289 5.362 -4.170 1.00 0.00 C ATOM 482 O PHE A 28 -3.395 5.469 -3.333 1.00 0.00 O ATOM 483 CB PHE A 28 -6.104 3.837 -3.406 1.00 0.00 C ATOM 484 CG PHE A 28 -5.788 4.379 -2.011 1.00 0.00 C ATOM 485 CD1 PHE A 28 -6.077 5.672 -1.702 1.00 0.00 C ATOM 486 CD2 PHE A 28 -5.219 3.569 -1.079 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.783 6.176 -0.407 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.925 4.072 0.216 1.00 0.00 C ATOM 489 CZ PHE A 28 -5.213 5.365 0.524 1.00 0.00 C ATOM 0 H PHE A 28 -3.623 2.883 -3.269 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.329 3.999 -5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.994 4.338 -3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.345 2.777 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.530 6.315 -2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.990 2.542 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.012 7.203 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.473 3.428 0.956 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.989 5.748 1.509 1.00 0.00 H new ATOM 499 N GLY A 29 -4.741 6.359 -4.917 1.00 0.00 N ATOM 500 CA GLY A 29 -4.189 7.697 -4.793 1.00 0.00 C ATOM 501 C GLY A 29 -3.423 8.094 -6.056 1.00 0.00 C ATOM 502 O GLY A 29 -3.465 7.385 -7.060 1.00 0.00 O ATOM 0 H GLY A 29 -5.483 6.267 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.993 8.410 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.523 7.741 -3.931 1.00 0.00 H new ATOM 506 N SER A 30 -2.740 9.226 -5.964 1.00 0.00 N ATOM 507 CA SER A 30 -1.965 9.726 -7.087 1.00 0.00 C ATOM 508 C SER A 30 -0.926 8.686 -7.510 1.00 0.00 C ATOM 509 O SER A 30 -0.611 8.562 -8.692 1.00 0.00 O ATOM 510 CB SER A 30 -1.281 11.049 -6.739 1.00 0.00 C ATOM 511 OG SER A 30 -0.944 11.128 -5.357 1.00 0.00 O ATOM 0 H SER A 30 -2.707 9.811 -5.129 1.00 0.00 H new ATOM 0 HA SER A 30 -2.646 9.909 -7.918 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.378 11.159 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.940 11.877 -6.999 1.00 0.00 H new ATOM 0 HG SER A 30 -0.508 11.987 -5.175 1.00 0.00 H new ATOM 517 N VAL A 31 -0.421 7.964 -6.519 1.00 0.00 N ATOM 518 CA VAL A 31 0.576 6.939 -6.773 1.00 0.00 C ATOM 519 C VAL A 31 -0.006 5.891 -7.724 1.00 0.00 C ATOM 520 O VAL A 31 0.684 5.408 -8.620 1.00 0.00 O ATOM 521 CB VAL A 31 1.062 6.342 -5.451 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.778 7.397 -4.604 1.00 0.00 C ATOM 523 CG2 VAL A 31 -0.096 5.710 -4.676 1.00 0.00 C ATOM 0 H VAL A 31 -0.684 8.069 -5.539 1.00 0.00 H new ATOM 0 HA VAL A 31 1.450 7.370 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 31 1.779 5.554 -5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.114 6.947 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.639 7.781 -5.152 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.092 8.216 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.277 5.293 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.847 6.470 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.544 4.916 -5.274 1.00 0.00 H new ATOM 533 N ALA A 32 -1.271 5.570 -7.495 1.00 0.00 N ATOM 534 CA ALA A 32 -1.955 4.588 -8.320 1.00 0.00 C ATOM 535 C ALA A 32 -1.928 5.046 -9.779 1.00 0.00 C ATOM 536 O ALA A 32 -1.858 4.223 -10.691 1.00 0.00 O ATOM 537 CB ALA A 32 -3.379 4.385 -7.799 1.00 0.00 C ATOM 0 H ALA A 32 -1.840 5.972 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.449 3.624 -8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.891 3.649 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.342 4.031 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.919 5.331 -7.838 1.00 0.00 H new ATOM 543 N ARG A 33 -1.984 6.358 -9.955 1.00 0.00 N ATOM 544 CA ARG A 33 -1.967 6.935 -11.289 1.00 0.00 C ATOM 545 C ARG A 33 -0.528 7.214 -11.728 1.00 0.00 C ATOM 546 O ARG A 33 -0.301 7.847 -12.758 1.00 0.00 O ATOM 547 CB ARG A 33 -2.768 8.238 -11.335 1.00 0.00 C ATOM 548 CG ARG A 33 -4.173 7.998 -11.891 1.00 0.00 C ATOM 549 CD ARG A 33 -4.901 9.322 -12.131 1.00 0.00 C ATOM 550 NE ARG A 33 -4.605 9.823 -13.492 1.00 0.00 N ATOM 551 CZ ARG A 33 -5.179 9.352 -14.607 1.00 0.00 C ATOM 552 NH1 ARG A 33 -6.083 8.366 -14.531 1.00 0.00 N ATOM 553 NH2 ARG A 33 -4.850 9.867 -15.800 1.00 0.00 N ATOM 0 H ARG A 33 -2.041 7.038 -9.197 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.425 6.215 -11.968 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.837 8.662 -10.333 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.247 8.968 -11.955 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.108 7.440 -12.825 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.744 7.386 -11.193 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.975 9.183 -12.012 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.590 10.057 -11.388 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.921 10.574 -13.587 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.335 7.974 -13.624 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.520 8.008 -15.380 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.162 10.618 -15.859 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.287 9.508 -16.649 1.00 0.00 H new ATOM 567 N GLY A 34 0.407 6.727 -10.925 1.00 0.00 N ATOM 568 CA GLY A 34 1.817 6.916 -11.218 1.00 0.00 C ATOM 569 C GLY A 34 2.248 8.357 -10.938 1.00 0.00 C ATOM 570 O GLY A 34 2.935 8.973 -11.752 1.00 0.00 O ATOM 0 H GLY A 34 0.215 6.202 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.412 6.231 -10.614 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.011 6.671 -12.262 1.00 0.00 H new ATOM 574 N GLU A 35 1.826 8.854 -9.784 1.00 0.00 N ATOM 575 CA GLU A 35 2.159 10.211 -9.387 1.00 0.00 C ATOM 576 C GLU A 35 2.651 10.235 -7.939 1.00 0.00 C ATOM 577 O GLU A 35 1.978 9.729 -7.042 1.00 0.00 O ATOM 578 CB GLU A 35 0.963 11.146 -9.575 1.00 0.00 C ATOM 579 CG GLU A 35 0.905 11.682 -11.007 1.00 0.00 C ATOM 580 CD GLU A 35 1.799 12.914 -11.167 1.00 0.00 C ATOM 581 OE1 GLU A 35 1.347 14.001 -10.747 1.00 0.00 O ATOM 582 OE2 GLU A 35 2.913 12.740 -11.707 1.00 0.00 O ATOM 0 H GLU A 35 1.256 8.341 -9.111 1.00 0.00 H new ATOM 0 HA GLU A 35 2.963 10.570 -10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.041 10.613 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.034 11.978 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.222 10.905 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.123 11.939 -11.262 1.00 0.00 H new ATOM 589 N ALA A 36 3.822 10.827 -7.755 1.00 0.00 N ATOM 590 CA ALA A 36 4.412 10.923 -6.431 1.00 0.00 C ATOM 591 C ALA A 36 5.848 11.438 -6.553 1.00 0.00 C ATOM 592 O ALA A 36 6.781 10.653 -6.717 1.00 0.00 O ATOM 593 CB ALA A 36 4.338 9.560 -5.739 1.00 0.00 C ATOM 0 H ALA A 36 4.378 11.245 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 36 3.859 11.632 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.781 9.632 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.296 9.253 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.885 8.823 -6.327 1.00 0.00 H new ATOM 599 N ARG A 37 5.980 12.753 -6.469 1.00 0.00 N ATOM 600 CA ARG A 37 7.286 13.382 -6.568 1.00 0.00 C ATOM 601 C ARG A 37 8.263 12.735 -5.584 1.00 0.00 C ATOM 602 O ARG A 37 7.925 11.755 -4.922 1.00 0.00 O ATOM 603 CB ARG A 37 7.199 14.882 -6.278 1.00 0.00 C ATOM 604 CG ARG A 37 6.364 15.150 -5.024 1.00 0.00 C ATOM 605 CD ARG A 37 6.558 16.586 -4.533 1.00 0.00 C ATOM 606 NE ARG A 37 5.584 17.483 -5.194 1.00 0.00 N ATOM 607 CZ ARG A 37 5.324 18.735 -4.794 1.00 0.00 C ATOM 608 NH1 ARG A 37 5.964 19.246 -3.733 1.00 0.00 N ATOM 609 NH2 ARG A 37 4.424 19.476 -5.454 1.00 0.00 N ATOM 0 H ARG A 37 5.204 13.401 -6.333 1.00 0.00 H new ATOM 0 HA ARG A 37 7.645 13.241 -7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.201 15.289 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.756 15.396 -7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.310 14.975 -5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.648 14.451 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.429 16.630 -3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.574 16.918 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 37 5.079 17.126 -6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.649 18.682 -3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.766 20.199 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.937 19.087 -6.261 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.226 20.429 -5.149 1.00 0.00 H new ATOM 623 N GLU A 38 9.455 13.309 -5.519 1.00 0.00 N ATOM 624 CA GLU A 38 10.483 12.800 -4.627 1.00 0.00 C ATOM 625 C GLU A 38 10.175 13.196 -3.182 1.00 0.00 C ATOM 626 O GLU A 38 10.811 12.704 -2.251 1.00 0.00 O ATOM 627 CB GLU A 38 11.868 13.296 -5.048 1.00 0.00 C ATOM 628 CG GLU A 38 11.838 14.789 -5.383 1.00 0.00 C ATOM 629 CD GLU A 38 13.089 15.495 -4.856 1.00 0.00 C ATOM 630 OE1 GLU A 38 14.182 15.171 -5.370 1.00 0.00 O ATOM 631 OE2 GLU A 38 12.924 16.342 -3.952 1.00 0.00 O ATOM 0 H GLU A 38 9.732 14.122 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 38 10.487 11.712 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.583 13.114 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.212 12.732 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.769 14.922 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.949 15.245 -4.948 1.00 0.00 H new ATOM 638 N ASP A 39 9.199 14.080 -3.039 1.00 0.00 N ATOM 639 CA ASP A 39 8.798 14.547 -1.723 1.00 0.00 C ATOM 640 C ASP A 39 7.331 14.184 -1.482 1.00 0.00 C ATOM 641 O ASP A 39 6.624 14.888 -0.762 1.00 0.00 O ATOM 642 CB ASP A 39 8.933 16.067 -1.613 1.00 0.00 C ATOM 643 CG ASP A 39 10.298 16.561 -1.129 1.00 0.00 C ATOM 644 OD1 ASP A 39 11.308 16.055 -1.664 1.00 0.00 O ATOM 645 OD2 ASP A 39 10.301 17.435 -0.235 1.00 0.00 O ATOM 0 H ASP A 39 8.674 14.486 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 39 9.446 14.073 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.730 16.506 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.167 16.436 -0.931 1.00 0.00 H new ATOM 650 N SER A 40 6.917 13.087 -2.099 1.00 0.00 N ATOM 651 CA SER A 40 5.548 12.622 -1.961 1.00 0.00 C ATOM 652 C SER A 40 5.517 11.308 -1.178 1.00 0.00 C ATOM 653 O SER A 40 6.554 10.676 -0.979 1.00 0.00 O ATOM 654 CB SER A 40 4.887 12.442 -3.329 1.00 0.00 C ATOM 655 OG SER A 40 3.497 12.148 -3.215 1.00 0.00 O ATOM 0 H SER A 40 7.506 12.507 -2.696 1.00 0.00 H new ATOM 0 HA SER A 40 4.984 13.377 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.019 13.350 -3.918 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.385 11.637 -3.869 1.00 0.00 H new ATOM 0 HG SER A 40 3.023 12.499 -3.998 1.00 0.00 H new ATOM 661 N ASP A 41 4.318 10.935 -0.757 1.00 0.00 N ATOM 662 CA ASP A 41 4.139 9.707 -0.001 1.00 0.00 C ATOM 663 C ASP A 41 3.450 8.665 -0.885 1.00 0.00 C ATOM 664 O ASP A 41 2.997 8.980 -1.984 1.00 0.00 O ATOM 665 CB ASP A 41 3.259 9.940 1.228 1.00 0.00 C ATOM 666 CG ASP A 41 3.206 11.387 1.721 1.00 0.00 C ATOM 667 OD1 ASP A 41 4.231 11.834 2.280 1.00 0.00 O ATOM 668 OD2 ASP A 41 2.143 12.015 1.527 1.00 0.00 O ATOM 0 H ASP A 41 3.461 11.461 -0.925 1.00 0.00 H new ATOM 0 HA ASP A 41 5.122 9.362 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.245 9.613 0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.620 9.309 2.040 1.00 0.00 H new ATOM 673 N LEU A 42 3.393 7.445 -0.371 1.00 0.00 N ATOM 674 CA LEU A 42 2.767 6.355 -1.100 1.00 0.00 C ATOM 675 C LEU A 42 1.490 5.928 -0.373 1.00 0.00 C ATOM 676 O LEU A 42 1.539 5.517 0.785 1.00 0.00 O ATOM 677 CB LEU A 42 3.763 5.213 -1.316 1.00 0.00 C ATOM 678 CG LEU A 42 3.197 3.941 -1.950 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.144 3.298 -1.044 1.00 0.00 C ATOM 680 CD2 LEU A 42 2.653 4.222 -3.352 1.00 0.00 C ATOM 0 H LEU A 42 3.770 7.187 0.541 1.00 0.00 H new ATOM 0 HA LEU A 42 2.472 6.683 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.574 5.579 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.200 4.951 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 42 4.010 3.223 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.758 2.396 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.597 3.039 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.327 4.000 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.257 3.301 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.858 4.965 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.456 4.600 -3.985 1.00 0.00 H new ATOM 692 N ASP A 43 0.377 6.040 -1.083 1.00 0.00 N ATOM 693 CA ASP A 43 -0.910 5.670 -0.520 1.00 0.00 C ATOM 694 C ASP A 43 -1.277 4.258 -0.980 1.00 0.00 C ATOM 695 O ASP A 43 -1.500 4.027 -2.168 1.00 0.00 O ATOM 696 CB ASP A 43 -2.011 6.622 -0.992 1.00 0.00 C ATOM 697 CG ASP A 43 -1.890 8.057 -0.476 1.00 0.00 C ATOM 698 OD1 ASP A 43 -2.367 8.296 0.655 1.00 0.00 O ATOM 699 OD2 ASP A 43 -1.323 8.883 -1.224 1.00 0.00 O ATOM 0 H ASP A 43 0.340 6.382 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.830 5.720 0.566 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.010 6.642 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.976 6.220 -0.681 1.00 0.00 H new ATOM 704 N LEU A 44 -1.328 3.351 -0.016 1.00 0.00 N ATOM 705 CA LEU A 44 -1.664 1.967 -0.308 1.00 0.00 C ATOM 706 C LEU A 44 -2.772 1.505 0.641 1.00 0.00 C ATOM 707 O LEU A 44 -2.632 1.602 1.859 1.00 0.00 O ATOM 708 CB LEU A 44 -0.411 1.091 -0.263 1.00 0.00 C ATOM 709 CG LEU A 44 -0.134 0.253 -1.513 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.427 1.121 -2.641 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.783 -0.928 -1.189 1.00 0.00 C ATOM 0 H LEU A 44 -1.142 3.547 0.968 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.053 1.875 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.451 1.733 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.492 0.418 0.591 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.080 -0.160 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.615 0.501 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.293 1.899 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.360 1.582 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.964 -1.507 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.731 -0.556 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.308 -1.563 -0.441 1.00 0.00 H new ATOM 723 N LEU A 45 -3.849 1.013 0.046 1.00 0.00 N ATOM 724 CA LEU A 45 -4.981 0.536 0.823 1.00 0.00 C ATOM 725 C LEU A 45 -4.928 -0.991 0.908 1.00 0.00 C ATOM 726 O LEU A 45 -5.086 -1.678 -0.100 1.00 0.00 O ATOM 727 CB LEU A 45 -6.292 1.075 0.247 1.00 0.00 C ATOM 728 CG LEU A 45 -7.569 0.379 0.721 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.589 0.249 2.246 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.813 1.094 0.191 1.00 0.00 C ATOM 0 H LEU A 45 -3.962 0.934 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.929 0.915 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.366 2.134 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.245 1.004 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.579 -0.631 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.507 -0.249 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.730 -0.337 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.544 1.241 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.707 0.579 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.822 2.123 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.798 1.091 -0.899 1.00 0.00 H new ATOM 742 N VAL A 46 -4.705 -1.477 2.121 1.00 0.00 N ATOM 743 CA VAL A 46 -4.630 -2.909 2.350 1.00 0.00 C ATOM 744 C VAL A 46 -5.527 -3.280 3.533 1.00 0.00 C ATOM 745 O VAL A 46 -5.861 -2.428 4.355 1.00 0.00 O ATOM 746 CB VAL A 46 -3.173 -3.331 2.550 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.492 -3.606 1.207 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.402 -2.279 3.350 1.00 0.00 C ATOM 0 H VAL A 46 -4.574 -0.904 2.955 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.997 -3.454 1.480 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.169 -4.258 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.458 -3.904 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.019 -4.407 0.689 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.513 -2.703 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.369 -2.604 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.420 -1.330 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.866 -2.153 4.328 1.00 0.00 H new ATOM 758 N ALA A 47 -5.892 -4.553 3.581 1.00 0.00 N ATOM 759 CA ALA A 47 -6.744 -5.047 4.650 1.00 0.00 C ATOM 760 C ALA A 47 -6.053 -6.221 5.345 1.00 0.00 C ATOM 761 O ALA A 47 -5.726 -7.220 4.707 1.00 0.00 O ATOM 762 CB ALA A 47 -8.110 -5.429 4.078 1.00 0.00 C ATOM 0 H ALA A 47 -5.614 -5.257 2.897 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.910 -4.272 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.749 -5.800 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.571 -4.553 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.984 -6.207 3.325 1.00 0.00 H new ATOM 768 N PHE A 48 -5.852 -6.063 6.645 1.00 0.00 N ATOM 769 CA PHE A 48 -5.206 -7.098 7.434 1.00 0.00 C ATOM 770 C PHE A 48 -6.239 -8.047 8.045 1.00 0.00 C ATOM 771 O PHE A 48 -7.173 -7.606 8.714 1.00 0.00 O ATOM 772 CB PHE A 48 -4.449 -6.394 8.562 1.00 0.00 C ATOM 773 CG PHE A 48 -3.173 -5.683 8.106 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.229 -4.396 7.673 1.00 0.00 C ATOM 775 CD2 PHE A 48 -1.982 -6.340 8.134 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.045 -3.736 7.250 1.00 0.00 C ATOM 777 CE2 PHE A 48 -0.798 -5.681 7.711 1.00 0.00 C ATOM 778 CZ PHE A 48 -0.854 -4.393 7.278 1.00 0.00 C ATOM 0 H PHE A 48 -6.125 -5.233 7.172 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.540 -7.686 6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.111 -5.666 9.031 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.191 -7.128 9.326 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.175 -3.875 7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.937 -7.363 8.478 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.090 -2.713 6.906 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.147 -6.203 7.733 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.047 -3.892 6.956 1.00 0.00 H new ATOM 788 N GLU A 49 -6.037 -9.332 7.793 1.00 0.00 N ATOM 789 CA GLU A 49 -6.940 -10.347 8.309 1.00 0.00 C ATOM 790 C GLU A 49 -6.869 -10.393 9.837 1.00 0.00 C ATOM 791 O GLU A 49 -6.198 -9.567 10.456 1.00 0.00 O ATOM 792 CB GLU A 49 -6.627 -11.717 7.704 1.00 0.00 C ATOM 793 CG GLU A 49 -5.158 -12.088 7.916 1.00 0.00 C ATOM 794 CD GLU A 49 -4.902 -13.549 7.540 1.00 0.00 C ATOM 795 OE1 GLU A 49 -5.101 -14.406 8.428 1.00 0.00 O ATOM 796 OE2 GLU A 49 -4.513 -13.775 6.374 1.00 0.00 O ATOM 0 H GLU A 49 -5.261 -9.694 7.238 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.957 -10.082 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.266 -12.474 8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.853 -11.708 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.524 -11.437 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.884 -11.924 8.958 1.00 0.00 H new ATOM 803 N GLU A 50 -7.569 -11.366 10.401 1.00 0.00 N ATOM 804 CA GLU A 50 -7.594 -11.530 11.844 1.00 0.00 C ATOM 805 C GLU A 50 -6.332 -12.254 12.318 1.00 0.00 C ATOM 806 O GLU A 50 -5.760 -13.058 11.582 1.00 0.00 O ATOM 807 CB GLU A 50 -8.854 -12.275 12.290 1.00 0.00 C ATOM 808 CG GLU A 50 -10.109 -11.448 12.004 1.00 0.00 C ATOM 809 CD GLU A 50 -11.092 -12.229 11.129 1.00 0.00 C ATOM 810 OE1 GLU A 50 -10.743 -12.462 9.952 1.00 0.00 O ATOM 811 OE2 GLU A 50 -12.170 -12.576 11.658 1.00 0.00 O ATOM 0 H GLU A 50 -8.123 -12.049 9.884 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.616 -10.541 12.302 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.918 -13.231 11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.793 -12.494 13.356 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.590 -11.174 12.943 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.831 -10.519 11.506 1.00 0.00 H new ATOM 818 N GLY A 51 -5.935 -11.945 13.543 1.00 0.00 N ATOM 819 CA GLY A 51 -4.752 -12.557 14.124 1.00 0.00 C ATOM 820 C GLY A 51 -3.517 -11.680 13.904 1.00 0.00 C ATOM 821 O GLY A 51 -2.445 -11.967 14.434 1.00 0.00 O ATOM 0 H GLY A 51 -6.412 -11.278 14.150 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.906 -12.713 15.192 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.590 -13.538 13.678 1.00 0.00 H new ATOM 825 N ARG A 52 -3.710 -10.628 13.122 1.00 0.00 N ATOM 826 CA ARG A 52 -2.626 -9.707 12.826 1.00 0.00 C ATOM 827 C ARG A 52 -2.670 -8.510 13.779 1.00 0.00 C ATOM 828 O ARG A 52 -3.745 -7.997 14.086 1.00 0.00 O ATOM 829 CB ARG A 52 -2.708 -9.204 11.383 1.00 0.00 C ATOM 830 CG ARG A 52 -2.807 -10.373 10.401 1.00 0.00 C ATOM 831 CD ARG A 52 -1.417 -10.839 9.961 1.00 0.00 C ATOM 832 NE ARG A 52 -1.529 -12.076 9.157 1.00 0.00 N ATOM 833 CZ ARG A 52 -1.887 -13.267 9.656 1.00 0.00 C ATOM 834 NH1 ARG A 52 -2.170 -13.389 10.960 1.00 0.00 N ATOM 835 NH2 ARG A 52 -1.962 -14.336 8.852 1.00 0.00 N ATOM 0 H ARG A 52 -4.601 -10.393 12.684 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.688 -10.247 12.958 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.576 -8.554 11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.828 -8.604 11.152 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.341 -11.201 10.868 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.387 -10.072 9.528 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.931 -10.058 9.376 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.791 -11.019 10.835 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.321 -12.019 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.113 -12.575 11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.443 -14.295 11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.747 -14.244 7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.235 -15.242 9.233 1.00 0.00 H new ATOM 849 N THR A 53 -1.490 -8.101 14.219 1.00 0.00 N ATOM 850 CA THR A 53 -1.381 -6.974 15.130 1.00 0.00 C ATOM 851 C THR A 53 -0.618 -5.825 14.469 1.00 0.00 C ATOM 852 O THR A 53 -0.022 -6.000 13.407 1.00 0.00 O ATOM 853 CB THR A 53 -0.728 -7.472 16.422 1.00 0.00 C ATOM 854 OG1 THR A 53 0.394 -8.228 15.974 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.595 -8.495 17.159 1.00 0.00 C ATOM 0 H THR A 53 -0.601 -8.529 13.962 1.00 0.00 H new ATOM 0 HA THR A 53 -2.363 -6.570 15.378 1.00 0.00 H new ATOM 0 HB THR A 53 -0.528 -6.625 17.078 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.877 -8.587 16.748 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.086 -8.816 18.068 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.551 -8.041 17.419 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.766 -9.358 16.515 1.00 0.00 H new ATOM 863 N LEU A 54 -0.662 -4.674 15.123 1.00 0.00 N ATOM 864 CA LEU A 54 0.017 -3.496 14.612 1.00 0.00 C ATOM 865 C LEU A 54 1.503 -3.809 14.428 1.00 0.00 C ATOM 866 O LEU A 54 2.160 -3.234 13.560 1.00 0.00 O ATOM 867 CB LEU A 54 -0.250 -2.289 15.514 1.00 0.00 C ATOM 868 CG LEU A 54 -0.545 -0.969 14.798 1.00 0.00 C ATOM 869 CD1 LEU A 54 -2.051 -0.721 14.703 1.00 0.00 C ATOM 870 CD2 LEU A 54 0.186 0.194 15.471 1.00 0.00 C ATOM 0 H LEU A 54 -1.158 -4.532 16.003 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.376 -3.225 13.632 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.094 -2.524 16.162 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.616 -2.144 16.159 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.166 -1.041 13.778 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.233 0.223 14.190 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.519 -1.533 14.146 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.476 -0.677 15.706 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.040 1.120 14.943 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.141 0.278 16.508 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.261 0.014 15.443 1.00 0.00 H new ATOM 882 N LEU A 55 1.991 -4.718 15.258 1.00 0.00 N ATOM 883 CA LEU A 55 3.387 -5.115 15.198 1.00 0.00 C ATOM 884 C LEU A 55 3.720 -5.583 13.780 1.00 0.00 C ATOM 885 O LEU A 55 4.776 -5.251 13.244 1.00 0.00 O ATOM 886 CB LEU A 55 3.696 -6.154 16.277 1.00 0.00 C ATOM 887 CG LEU A 55 4.760 -5.760 17.304 1.00 0.00 C ATOM 888 CD1 LEU A 55 6.065 -5.357 16.614 1.00 0.00 C ATOM 889 CD2 LEU A 55 4.242 -4.663 18.236 1.00 0.00 C ATOM 0 H LEU A 55 1.444 -5.192 15.977 1.00 0.00 H new ATOM 0 HA LEU A 55 4.034 -4.264 15.413 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.772 -6.381 16.809 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.016 -7.073 15.787 1.00 0.00 H new ATOM 0 HG LEU A 55 4.978 -6.631 17.922 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.804 -5.082 17.366 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.440 -6.195 16.027 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.882 -4.507 15.957 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.017 -4.401 18.956 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.979 -3.782 17.650 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.360 -5.023 18.767 1.00 0.00 H new ATOM 901 N ASP A 56 2.798 -6.347 13.212 1.00 0.00 N ATOM 902 CA ASP A 56 2.980 -6.864 11.866 1.00 0.00 C ATOM 903 C ASP A 56 2.851 -5.717 10.862 1.00 0.00 C ATOM 904 O ASP A 56 3.562 -5.683 9.859 1.00 0.00 O ATOM 905 CB ASP A 56 1.915 -7.909 11.530 1.00 0.00 C ATOM 906 CG ASP A 56 2.042 -9.230 12.291 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.491 -9.173 13.456 1.00 0.00 O ATOM 908 OD2 ASP A 56 1.686 -10.268 11.691 1.00 0.00 O ATOM 0 H ASP A 56 1.923 -6.620 13.659 1.00 0.00 H new ATOM 0 HA ASP A 56 3.967 -7.324 11.811 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.933 -7.483 11.734 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.957 -8.118 10.461 1.00 0.00 H new ATOM 913 N HIS A 57 1.938 -4.806 11.167 1.00 0.00 N ATOM 914 CA HIS A 57 1.707 -3.661 10.303 1.00 0.00 C ATOM 915 C HIS A 57 2.996 -2.846 10.174 1.00 0.00 C ATOM 916 O HIS A 57 3.399 -2.487 9.069 1.00 0.00 O ATOM 917 CB HIS A 57 0.527 -2.828 10.809 1.00 0.00 C ATOM 918 CG HIS A 57 -0.801 -3.544 10.750 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.013 -2.886 10.864 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.094 -4.866 10.586 1.00 0.00 C ATOM 921 CE1 HIS A 57 -2.985 -3.782 10.773 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.413 -5.008 10.601 1.00 0.00 N ATOM 0 H HIS A 57 1.350 -4.838 12.000 1.00 0.00 H new ATOM 0 HA HIS A 57 1.434 -4.004 9.305 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.722 -2.530 11.839 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.462 -1.914 10.219 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.374 -5.662 10.465 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.044 -3.577 10.826 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.917 -5.889 10.500 1.00 0.00 H new ATOM 930 N ALA A 58 3.605 -2.579 11.320 1.00 0.00 N ATOM 931 CA ALA A 58 4.840 -1.814 11.349 1.00 0.00 C ATOM 932 C ALA A 58 5.916 -2.558 10.555 1.00 0.00 C ATOM 933 O ALA A 58 6.737 -1.937 9.882 1.00 0.00 O ATOM 934 CB ALA A 58 5.254 -1.567 12.801 1.00 0.00 C ATOM 0 H ALA A 58 3.267 -2.878 12.234 1.00 0.00 H new ATOM 0 HA ALA A 58 4.698 -0.840 10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.180 -0.993 12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.470 -1.009 13.313 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.407 -2.522 13.303 1.00 0.00 H new ATOM 940 N ARG A 59 5.876 -3.878 10.660 1.00 0.00 N ATOM 941 CA ARG A 59 6.836 -4.714 9.959 1.00 0.00 C ATOM 942 C ARG A 59 6.592 -4.653 8.450 1.00 0.00 C ATOM 943 O ARG A 59 7.536 -4.702 7.663 1.00 0.00 O ATOM 944 CB ARG A 59 6.745 -6.168 10.426 1.00 0.00 C ATOM 945 CG ARG A 59 7.734 -6.444 11.560 1.00 0.00 C ATOM 946 CD ARG A 59 8.275 -7.873 11.480 1.00 0.00 C ATOM 947 NE ARG A 59 8.610 -8.363 12.836 1.00 0.00 N ATOM 948 CZ ARG A 59 8.851 -9.648 13.131 1.00 0.00 C ATOM 949 NH1 ARG A 59 8.795 -10.579 12.169 1.00 0.00 N ATOM 950 NH2 ARG A 59 9.147 -10.002 14.389 1.00 0.00 N ATOM 0 H ARG A 59 5.194 -4.389 11.220 1.00 0.00 H new ATOM 0 HA ARG A 59 7.833 -4.334 10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.731 -6.382 10.763 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.950 -6.836 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.560 -5.735 11.507 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.243 -6.290 12.521 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.533 -8.527 11.021 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.161 -7.901 10.845 1.00 0.00 H new ATOM 0 HE ARG A 59 8.661 -7.681 13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.569 -10.310 11.211 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.979 -11.557 12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.189 -9.294 15.122 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.330 -10.980 14.614 1.00 0.00 H new ATOM 964 N LEU A 60 5.321 -4.546 8.093 1.00 0.00 N ATOM 965 CA LEU A 60 4.941 -4.478 6.692 1.00 0.00 C ATOM 966 C LEU A 60 5.460 -3.171 6.090 1.00 0.00 C ATOM 967 O LEU A 60 6.033 -3.169 5.002 1.00 0.00 O ATOM 968 CB LEU A 60 3.431 -4.670 6.536 1.00 0.00 C ATOM 969 CG LEU A 60 2.933 -4.949 5.117 1.00 0.00 C ATOM 970 CD1 LEU A 60 3.998 -5.679 4.296 1.00 0.00 C ATOM 971 CD2 LEU A 60 1.606 -5.710 5.141 1.00 0.00 C ATOM 0 H LEU A 60 4.541 -4.505 8.749 1.00 0.00 H new ATOM 0 HA LEU A 60 5.402 -5.292 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.122 -5.496 7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.931 -3.775 6.906 1.00 0.00 H new ATOM 0 HG LEU A 60 2.747 -3.994 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.619 -5.865 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.896 -5.064 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.239 -6.628 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.274 -5.895 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.741 -6.661 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.856 -5.117 5.664 1.00 0.00 H new ATOM 983 N LYS A 61 5.241 -2.090 6.825 1.00 0.00 N ATOM 984 CA LYS A 61 5.679 -0.779 6.377 1.00 0.00 C ATOM 985 C LYS A 61 7.207 -0.757 6.299 1.00 0.00 C ATOM 986 O LYS A 61 7.776 -0.186 5.370 1.00 0.00 O ATOM 987 CB LYS A 61 5.093 0.316 7.270 1.00 0.00 C ATOM 988 CG LYS A 61 5.652 1.689 6.893 1.00 0.00 C ATOM 989 CD LYS A 61 7.085 1.856 7.402 1.00 0.00 C ATOM 990 CE LYS A 61 7.327 3.283 7.897 1.00 0.00 C ATOM 991 NZ LYS A 61 6.676 3.494 9.209 1.00 0.00 N ATOM 0 H LYS A 61 4.766 -2.096 7.728 1.00 0.00 H new ATOM 0 HA LYS A 61 5.305 -0.574 5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.007 0.324 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.322 0.100 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.631 1.809 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.020 2.471 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.272 1.150 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.788 1.620 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.398 3.468 7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.937 3.997 7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.398 4.492 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.832 2.891 9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.341 3.248 9.970 1.00 0.00 H new ATOM 1005 N LEU A 62 7.828 -1.385 7.287 1.00 0.00 N ATOM 1006 CA LEU A 62 9.279 -1.444 7.342 1.00 0.00 C ATOM 1007 C LEU A 62 9.794 -2.300 6.184 1.00 0.00 C ATOM 1008 O LEU A 62 10.837 -2.003 5.603 1.00 0.00 O ATOM 1009 CB LEU A 62 9.744 -1.925 8.717 1.00 0.00 C ATOM 1010 CG LEU A 62 10.373 -3.319 8.762 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.763 -3.314 8.125 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.400 -3.863 10.192 1.00 0.00 C ATOM 0 H LEU A 62 7.353 -1.857 8.056 1.00 0.00 H new ATOM 0 HA LEU A 62 9.706 -0.449 7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.468 -1.209 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.889 -1.912 9.393 1.00 0.00 H new ATOM 0 HG LEU A 62 9.751 -3.993 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.188 -4.317 8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.685 -2.999 7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.409 -2.622 8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.852 -4.855 10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.985 -3.195 10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.382 -3.927 10.576 1.00 0.00 H new ATOM 1024 N ALA A 63 9.039 -3.346 5.882 1.00 0.00 N ATOM 1025 CA ALA A 63 9.407 -4.248 4.803 1.00 0.00 C ATOM 1026 C ALA A 63 9.175 -3.551 3.461 1.00 0.00 C ATOM 1027 O ALA A 63 9.939 -3.746 2.516 1.00 0.00 O ATOM 1028 CB ALA A 63 8.610 -5.548 4.930 1.00 0.00 C ATOM 0 H ALA A 63 8.174 -3.589 6.365 1.00 0.00 H new ATOM 0 HA ALA A 63 10.464 -4.507 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.886 -6.224 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.832 -6.019 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.544 -5.328 4.872 1.00 0.00 H new ATOM 1034 N LEU A 64 8.118 -2.754 3.419 1.00 0.00 N ATOM 1035 CA LEU A 64 7.777 -2.027 2.208 1.00 0.00 C ATOM 1036 C LEU A 64 8.828 -0.945 1.954 1.00 0.00 C ATOM 1037 O LEU A 64 9.344 -0.824 0.843 1.00 0.00 O ATOM 1038 CB LEU A 64 6.347 -1.488 2.291 1.00 0.00 C ATOM 1039 CG LEU A 64 5.233 -2.537 2.270 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.107 -2.120 1.322 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.788 -3.920 1.926 1.00 0.00 C ATOM 0 H LEU A 64 7.486 -2.596 4.204 1.00 0.00 H new ATOM 0 HA LEU A 64 7.792 -2.695 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.252 -0.904 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.189 -0.802 1.458 1.00 0.00 H new ATOM 0 HG LEU A 64 4.806 -2.602 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.328 -2.882 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.687 -1.170 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.503 -2.010 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.975 -4.646 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.257 -3.889 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.527 -4.211 2.672 1.00 0.00 H new ATOM 1053 N GLU A 65 9.114 -0.186 3.001 1.00 0.00 N ATOM 1054 CA GLU A 65 10.095 0.883 2.905 1.00 0.00 C ATOM 1055 C GLU A 65 11.463 0.315 2.522 1.00 0.00 C ATOM 1056 O GLU A 65 12.278 1.007 1.914 1.00 0.00 O ATOM 1057 CB GLU A 65 10.175 1.672 4.214 1.00 0.00 C ATOM 1058 CG GLU A 65 9.038 2.690 4.311 1.00 0.00 C ATOM 1059 CD GLU A 65 9.300 3.700 5.430 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.191 3.411 6.257 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.603 4.738 5.433 1.00 0.00 O ATOM 0 H GLU A 65 8.684 -0.289 3.920 1.00 0.00 H new ATOM 0 HA GLU A 65 9.778 1.572 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.127 0.986 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.134 2.186 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.932 3.214 3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.097 2.173 4.496 1.00 0.00 H new ATOM 1068 N GLY A 66 11.672 -0.940 2.894 1.00 0.00 N ATOM 1069 CA GLY A 66 12.927 -1.609 2.597 1.00 0.00 C ATOM 1070 C GLY A 66 13.039 -1.927 1.104 1.00 0.00 C ATOM 1071 O GLY A 66 14.033 -1.583 0.466 1.00 0.00 O ATOM 0 H GLY A 66 10.993 -1.511 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.761 -0.977 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.998 -2.530 3.175 1.00 0.00 H new ATOM 1075 N LEU A 67 12.006 -2.580 0.592 1.00 0.00 N ATOM 1076 CA LEU A 67 11.976 -2.948 -0.813 1.00 0.00 C ATOM 1077 C LEU A 67 11.805 -1.687 -1.663 1.00 0.00 C ATOM 1078 O LEU A 67 12.449 -1.542 -2.701 1.00 0.00 O ATOM 1079 CB LEU A 67 10.905 -4.011 -1.066 1.00 0.00 C ATOM 1080 CG LEU A 67 11.362 -5.257 -1.826 1.00 0.00 C ATOM 1081 CD1 LEU A 67 10.183 -5.937 -2.524 1.00 0.00 C ATOM 1082 CD2 LEU A 67 12.491 -4.921 -2.802 1.00 0.00 C ATOM 0 H LEU A 67 11.184 -2.864 1.125 1.00 0.00 H new ATOM 0 HA LEU A 67 12.921 -3.405 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.499 -4.325 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.088 -3.550 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 67 11.762 -5.969 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.536 -6.820 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.442 -6.233 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.730 -5.243 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.797 -5.825 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.141 -4.181 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.340 -4.517 -2.251 1.00 0.00 H new ATOM 1094 N LEU A 68 10.933 -0.808 -1.191 1.00 0.00 N ATOM 1095 CA LEU A 68 10.668 0.435 -1.895 1.00 0.00 C ATOM 1096 C LEU A 68 11.781 1.438 -1.584 1.00 0.00 C ATOM 1097 O LEU A 68 11.899 2.465 -2.251 1.00 0.00 O ATOM 1098 CB LEU A 68 9.266 0.950 -1.563 1.00 0.00 C ATOM 1099 CG LEU A 68 8.104 0.192 -2.206 1.00 0.00 C ATOM 1100 CD1 LEU A 68 8.131 -1.287 -1.815 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.765 0.850 -1.867 1.00 0.00 C ATOM 0 H LEU A 68 10.401 -0.932 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 68 10.676 0.272 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.137 0.923 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.203 1.995 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 68 8.222 0.241 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.294 -1.803 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.067 -1.735 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.051 -1.379 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.956 0.291 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.624 0.853 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.760 1.876 -2.236 1.00 0.00 H new ATOM 1113 N GLY A 69 12.570 1.105 -0.573 1.00 0.00 N ATOM 1114 CA GLY A 69 13.669 1.964 -0.167 1.00 0.00 C ATOM 1115 C GLY A 69 13.250 3.435 -0.182 1.00 0.00 C ATOM 1116 O GLY A 69 14.090 4.322 -0.322 1.00 0.00 O ATOM 0 H GLY A 69 12.470 0.252 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.001 1.687 0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.517 1.817 -0.836 1.00 0.00 H new ATOM 1120 N VAL A 70 11.951 3.649 -0.035 1.00 0.00 N ATOM 1121 CA VAL A 70 11.410 4.997 -0.030 1.00 0.00 C ATOM 1122 C VAL A 70 10.182 5.046 0.881 1.00 0.00 C ATOM 1123 O VAL A 70 9.541 4.024 1.120 1.00 0.00 O ATOM 1124 CB VAL A 70 11.110 5.446 -1.462 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.370 5.392 -2.329 1.00 0.00 C ATOM 1126 CG2 VAL A 70 9.986 4.609 -2.075 1.00 0.00 C ATOM 0 H VAL A 70 11.257 2.911 0.082 1.00 0.00 H new ATOM 0 HA VAL A 70 12.140 5.700 0.371 1.00 0.00 H new ATOM 0 HB VAL A 70 10.773 6.482 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.129 5.716 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.130 6.051 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.750 4.371 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.793 4.949 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.282 3.560 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.081 4.721 -1.477 1.00 0.00 H new ATOM 1136 N ARG A 71 9.891 6.245 1.364 1.00 0.00 N ATOM 1137 CA ARG A 71 8.751 6.441 2.244 1.00 0.00 C ATOM 1138 C ARG A 71 7.527 5.704 1.698 1.00 0.00 C ATOM 1139 O ARG A 71 7.204 5.819 0.517 1.00 0.00 O ATOM 1140 CB ARG A 71 8.419 7.927 2.393 1.00 0.00 C ATOM 1141 CG ARG A 71 9.568 8.681 3.065 1.00 0.00 C ATOM 1142 CD ARG A 71 9.590 8.417 4.572 1.00 0.00 C ATOM 1143 NE ARG A 71 9.514 9.697 5.311 1.00 0.00 N ATOM 1144 CZ ARG A 71 10.469 10.636 5.286 1.00 0.00 C ATOM 1145 NH1 ARG A 71 11.578 10.445 4.559 1.00 0.00 N ATOM 1146 NH2 ARG A 71 10.315 11.767 5.989 1.00 0.00 N ATOM 0 H ARG A 71 10.425 7.091 1.163 1.00 0.00 H new ATOM 0 HA ARG A 71 9.014 6.040 3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.220 8.359 1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.509 8.043 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.516 8.373 2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.463 9.750 2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.753 7.777 4.850 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.502 7.885 4.843 1.00 0.00 H new ATOM 0 HE ARG A 71 8.683 9.875 5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.695 9.584 4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.305 11.160 4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.471 11.912 6.543 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.042 12.482 5.970 1.00 0.00 H new ATOM 1160 N VAL A 72 6.878 4.963 2.585 1.00 0.00 N ATOM 1161 CA VAL A 72 5.696 4.207 2.206 1.00 0.00 C ATOM 1162 C VAL A 72 4.602 4.421 3.255 1.00 0.00 C ATOM 1163 O VAL A 72 4.872 4.389 4.454 1.00 0.00 O ATOM 1164 CB VAL A 72 6.057 2.733 2.012 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.840 1.835 2.242 1.00 0.00 C ATOM 1166 CG2 VAL A 72 6.661 2.495 0.626 1.00 0.00 C ATOM 0 H VAL A 72 7.148 4.870 3.564 1.00 0.00 H new ATOM 0 HA VAL A 72 5.306 4.561 1.251 1.00 0.00 H new ATOM 0 HB VAL A 72 6.810 2.472 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.124 0.793 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.473 1.973 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.055 2.098 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.909 1.440 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.940 2.782 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.565 3.094 0.515 1.00 0.00 H new ATOM 1176 N ASP A 73 3.390 4.635 2.764 1.00 0.00 N ATOM 1177 CA ASP A 73 2.254 4.854 3.643 1.00 0.00 C ATOM 1178 C ASP A 73 1.190 3.788 3.370 1.00 0.00 C ATOM 1179 O ASP A 73 0.563 3.790 2.312 1.00 0.00 O ATOM 1180 CB ASP A 73 1.624 6.226 3.397 1.00 0.00 C ATOM 1181 CG ASP A 73 1.690 7.190 4.583 1.00 0.00 C ATOM 1182 OD1 ASP A 73 1.421 6.722 5.710 1.00 0.00 O ATOM 1183 OD2 ASP A 73 2.008 8.373 4.335 1.00 0.00 O ATOM 0 H ASP A 73 3.170 4.661 1.768 1.00 0.00 H new ATOM 0 HA ASP A 73 2.608 4.800 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.120 6.689 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.579 6.085 3.120 1.00 0.00 H new ATOM 1188 N ILE A 74 1.021 2.905 4.342 1.00 0.00 N ATOM 1189 CA ILE A 74 0.044 1.836 4.220 1.00 0.00 C ATOM 1190 C ILE A 74 -1.255 2.257 4.912 1.00 0.00 C ATOM 1191 O ILE A 74 -1.225 2.946 5.930 1.00 0.00 O ATOM 1192 CB ILE A 74 0.621 0.520 4.744 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.883 0.129 3.972 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.433 -0.589 4.720 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.462 -1.186 4.498 1.00 0.00 C ATOM 0 H ILE A 74 1.544 2.907 5.218 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.196 1.657 3.172 1.00 0.00 H new ATOM 0 HB ILE A 74 0.912 0.665 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.649 0.029 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.628 0.920 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.003 -1.514 5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.277 -0.303 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.778 -0.741 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.358 -1.441 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.717 -1.075 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.723 -1.980 4.385 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.364 1.823 4.331 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.671 2.146 4.879 1.00 0.00 C ATOM 1209 C VAL A 75 -4.420 0.851 5.197 1.00 0.00 C ATOM 1210 O VAL A 75 -4.325 -0.124 4.453 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.433 3.055 3.913 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.941 2.817 4.010 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -4.093 4.526 4.161 1.00 0.00 C ATOM 0 H VAL A 75 -2.385 1.251 3.487 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.568 2.699 5.812 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.119 2.805 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.459 3.476 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.162 1.779 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.278 3.026 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.648 5.151 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.365 4.795 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.024 4.682 4.017 1.00 0.00 H new ATOM 1223 N SER A 76 -5.147 0.882 6.304 1.00 0.00 N ATOM 1224 CA SER A 76 -5.912 -0.278 6.730 1.00 0.00 C ATOM 1225 C SER A 76 -7.410 -0.001 6.581 1.00 0.00 C ATOM 1226 O SER A 76 -7.933 0.940 7.176 1.00 0.00 O ATOM 1227 CB SER A 76 -5.583 -0.654 8.176 1.00 0.00 C ATOM 1228 OG SER A 76 -6.382 0.069 9.110 1.00 0.00 O ATOM 0 H SER A 76 -5.223 1.692 6.919 1.00 0.00 H new ATOM 0 HA SER A 76 -5.640 -1.120 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.739 -1.724 8.317 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.529 -0.457 8.371 1.00 0.00 H new ATOM 0 HG SER A 76 -6.143 -0.200 10.022 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.057 -0.837 5.783 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.484 -0.694 5.548 1.00 0.00 C ATOM 1236 C GLU A 77 -10.204 -0.349 6.853 1.00 0.00 C ATOM 1237 O GLU A 77 -11.245 0.308 6.837 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.066 -1.961 4.918 1.00 0.00 C ATOM 1239 CG GLU A 77 -10.200 -1.808 3.402 1.00 0.00 C ATOM 1240 CD GLU A 77 -11.608 -2.182 2.936 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -12.152 -3.157 3.497 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -12.109 -1.483 2.028 1.00 0.00 O ATOM 0 H GLU A 77 -7.620 -1.616 5.291 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.637 0.124 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.425 -2.812 5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.043 -2.172 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.979 -0.780 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.467 -2.442 2.903 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.623 -0.807 7.951 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.197 -0.556 9.262 1.00 0.00 C ATOM 1251 C ARG A 78 -10.290 0.949 9.521 1.00 0.00 C ATOM 1252 O ARG A 78 -11.323 1.443 9.970 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.358 -1.205 10.365 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.138 -2.322 11.061 1.00 0.00 C ATOM 1255 CD ARG A 78 -9.968 -2.246 12.580 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.277 -1.999 13.224 1.00 0.00 N ATOM 1257 CZ ARG A 78 -11.455 -1.891 14.547 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -10.408 -2.009 15.376 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -12.680 -1.667 15.043 1.00 0.00 N ATOM 0 H ARG A 78 -8.760 -1.351 7.960 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.195 -0.994 9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.440 -1.609 9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.065 -0.451 11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.195 -2.246 10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.792 -3.291 10.701 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.540 -3.176 12.953 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.271 -1.448 12.837 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.095 -1.905 12.622 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.476 -2.181 14.999 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.544 -1.927 16.384 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.477 -1.579 14.413 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.815 -1.585 16.051 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.196 1.637 9.227 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.140 3.075 9.422 1.00 0.00 C ATOM 1275 C GLY A 79 -9.964 3.805 8.359 1.00 0.00 C ATOM 1276 O GLY A 79 -10.597 4.819 8.647 1.00 0.00 O ATOM 0 H GLY A 79 -8.341 1.224 8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.515 3.326 10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.104 3.411 9.379 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.928 3.260 7.152 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.663 3.846 6.044 1.00 0.00 C ATOM 1282 C LEU A 80 -12.153 3.890 6.392 1.00 0.00 C ATOM 1283 O LEU A 80 -12.684 2.950 6.982 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.357 3.101 4.744 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.008 3.412 4.094 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.166 3.660 2.592 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -8.316 4.581 4.798 1.00 0.00 C ATOM 0 H LEU A 80 -9.401 2.419 6.917 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.344 4.875 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.404 2.030 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.145 3.327 4.025 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.365 2.540 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.192 3.879 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.585 2.772 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.834 4.506 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.359 4.781 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.946 5.468 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.149 4.328 5.845 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.784 4.991 6.012 1.00 0.00 N ATOM 1300 CA ALA A 81 -14.202 5.170 6.277 1.00 0.00 C ATOM 1301 C ALA A 81 -15.012 4.410 5.225 1.00 0.00 C ATOM 1302 O ALA A 81 -14.454 3.899 4.256 1.00 0.00 O ATOM 1303 CB ALA A 81 -14.533 6.663 6.301 1.00 0.00 C ATOM 0 H ALA A 81 -12.340 5.768 5.523 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.464 4.763 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.596 6.797 6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.953 7.152 7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -14.286 7.106 5.336 1.00 0.00 H new ATOM 1309 N PRO A 82 -16.351 4.357 5.459 1.00 0.00 N ATOM 1310 CA PRO A 82 -17.244 3.668 4.543 1.00 0.00 C ATOM 1311 C PRO A 82 -17.463 4.488 3.269 1.00 0.00 C ATOM 1312 O PRO A 82 -17.449 3.944 2.166 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.523 3.445 5.333 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.469 4.421 6.497 1.00 0.00 C ATOM 1315 CD PRO A 82 -17.048 4.950 6.596 1.00 0.00 C ATOM 0 HA PRO A 82 -16.837 2.719 4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.401 3.625 4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.588 2.417 5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -19.171 5.240 6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.757 3.926 7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -17.027 6.039 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.583 4.662 7.539 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.660 5.783 3.465 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.881 6.684 2.346 1.00 0.00 C ATOM 1325 C ARG A 83 -16.561 6.979 1.632 1.00 0.00 C ATOM 1326 O ARG A 83 -16.550 7.285 0.441 1.00 0.00 O ATOM 1327 CB ARG A 83 -18.505 8.000 2.814 1.00 0.00 C ATOM 1328 CG ARG A 83 -17.651 8.657 3.900 1.00 0.00 C ATOM 1329 CD ARG A 83 -18.411 8.732 5.225 1.00 0.00 C ATOM 1330 NE ARG A 83 -18.974 10.088 5.410 1.00 0.00 N ATOM 1331 CZ ARG A 83 -19.701 10.461 6.472 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -19.957 9.583 7.451 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -20.172 11.713 6.555 1.00 0.00 N ATOM 0 H ARG A 83 -17.671 6.230 4.382 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.568 6.194 1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.608 8.679 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -19.508 7.815 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.730 8.090 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -17.364 9.660 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -19.212 7.992 5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.742 8.491 6.051 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.798 10.782 4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -19.598 8.630 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.510 9.867 8.259 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.977 12.382 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.725 11.997 7.363 1.00 0.00 H new ATOM 1347 N LEU A 84 -15.479 6.875 2.391 1.00 0.00 N ATOM 1348 CA LEU A 84 -14.156 7.127 1.845 1.00 0.00 C ATOM 1349 C LEU A 84 -13.665 5.877 1.112 1.00 0.00 C ATOM 1350 O LEU A 84 -13.032 5.977 0.062 1.00 0.00 O ATOM 1351 CB LEU A 84 -13.206 7.608 2.944 1.00 0.00 C ATOM 1352 CG LEU A 84 -13.008 9.122 3.043 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -14.033 9.749 3.990 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -11.572 9.461 3.448 1.00 0.00 C ATOM 0 H LEU A 84 -15.492 6.620 3.379 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.193 7.933 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.578 7.247 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -12.233 7.144 2.785 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.176 9.553 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.870 10.825 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -15.039 9.552 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -13.922 9.317 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.458 10.543 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.353 9.016 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.881 9.066 2.703 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.975 4.728 1.695 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.573 3.460 1.110 1.00 0.00 C ATOM 1368 C ARG A 85 -14.038 3.376 -0.346 1.00 0.00 C ATOM 1369 O ARG A 85 -13.248 3.064 -1.236 1.00 0.00 O ATOM 1370 CB ARG A 85 -14.158 2.283 1.893 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.777 0.950 1.245 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.640 -0.190 1.787 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.453 -0.316 3.250 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.325 -0.917 4.071 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.450 -1.452 3.577 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -15.072 -0.984 5.385 1.00 0.00 N ATOM 0 H ARG A 85 -14.500 4.649 2.566 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.485 3.405 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.795 2.309 2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.243 2.374 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.898 1.020 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.725 0.737 1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -15.690 -0.001 1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.371 -1.125 1.296 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.607 0.080 3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.642 -1.402 2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.114 -1.910 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.215 -0.577 5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -15.736 -1.442 6.010 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.316 3.660 -0.543 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.895 3.621 -1.875 1.00 0.00 C ATOM 1392 C GLU A 86 -15.102 4.520 -2.825 1.00 0.00 C ATOM 1393 O GLU A 86 -14.844 4.147 -3.969 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.371 4.022 -1.844 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.162 3.287 -2.928 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.298 2.464 -2.315 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.036 1.823 -1.275 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.401 2.496 -2.901 1.00 0.00 O ATOM 0 H GLU A 86 -15.968 3.918 0.198 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.839 2.597 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.793 3.796 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.462 5.098 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.571 4.007 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.495 2.632 -3.489 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.737 5.688 -2.317 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.979 6.644 -3.105 1.00 0.00 C ATOM 1407 C GLN A 87 -12.542 6.154 -3.297 1.00 0.00 C ATOM 1408 O GLN A 87 -11.951 6.352 -4.357 1.00 0.00 O ATOM 1409 CB GLN A 87 -14.003 8.031 -2.459 1.00 0.00 C ATOM 1410 CG GLN A 87 -13.455 9.091 -3.416 1.00 0.00 C ATOM 1411 CD GLN A 87 -13.814 10.500 -2.937 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -12.978 11.256 -2.471 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -15.100 10.807 -3.077 1.00 0.00 N ATOM 0 H GLN A 87 -14.953 5.994 -1.368 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.448 6.728 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.024 8.286 -2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.410 8.020 -1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.372 8.993 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.860 8.928 -4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.746 10.126 -3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.440 11.724 -2.786 1.00 0.00 H new ATOM 1422 N VAL A 88 -12.023 5.523 -2.254 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.667 5.002 -2.293 1.00 0.00 C ATOM 1424 C VAL A 88 -10.579 3.899 -3.349 1.00 0.00 C ATOM 1425 O VAL A 88 -9.675 3.902 -4.183 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.246 4.531 -0.900 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.798 4.038 -0.902 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -10.448 5.638 0.137 1.00 0.00 C ATOM 0 H VAL A 88 -12.517 5.361 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.966 5.785 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.884 3.692 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.524 3.709 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.698 3.204 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.138 4.849 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.141 5.277 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.847 6.506 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.500 5.921 0.167 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.532 2.980 -3.280 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.574 1.873 -4.220 1.00 0.00 C ATOM 1440 C LEU A 89 -11.648 2.422 -5.646 1.00 0.00 C ATOM 1441 O LEU A 89 -10.999 1.900 -6.550 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.715 0.916 -3.869 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.717 0.369 -2.440 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.135 0.009 -1.993 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.756 -0.813 -2.304 1.00 0.00 C ATOM 0 H LEU A 89 -12.281 2.980 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.661 1.282 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.660 1.431 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.681 0.073 -4.559 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.359 1.153 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.108 -0.377 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.764 0.898 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.544 -0.751 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.777 -1.183 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.060 -1.609 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.745 -0.490 -2.553 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.446 3.469 -5.802 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.613 4.095 -7.102 1.00 0.00 C ATOM 1459 C ARG A 90 -11.252 4.477 -7.687 1.00 0.00 C ATOM 1460 O ARG A 90 -11.106 4.600 -8.902 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.488 5.346 -7.003 1.00 0.00 C ATOM 1462 CG ARG A 90 -14.884 5.085 -7.571 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.959 5.752 -6.711 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.198 7.135 -7.181 1.00 0.00 N ATOM 1465 CZ ARG A 90 -16.783 7.441 -8.347 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.193 6.465 -9.168 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -16.959 8.724 -8.692 1.00 0.00 N ATOM 0 H ARG A 90 -12.984 3.899 -5.049 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.103 3.374 -7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.568 5.657 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.018 6.166 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.942 5.464 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.066 4.011 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.884 5.178 -6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.646 5.763 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.899 7.903 -6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.060 5.488 -8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.638 6.699 -10.055 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.648 9.468 -8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.404 8.957 -9.580 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.289 4.655 -6.794 1.00 0.00 N ATOM 1482 CA GLU A 91 -8.945 5.021 -7.205 1.00 0.00 C ATOM 1483 C GLU A 91 -8.005 3.820 -7.076 1.00 0.00 C ATOM 1484 O GLU A 91 -7.157 3.595 -7.939 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.428 6.211 -6.395 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.406 7.386 -6.463 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.899 8.466 -7.422 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -7.669 8.684 -7.431 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -9.754 9.049 -8.123 1.00 0.00 O ATOM 0 H GLU A 91 -10.414 4.552 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.976 5.323 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.283 5.913 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.455 6.520 -6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.383 7.032 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.539 7.811 -5.468 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.186 3.082 -5.991 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.364 1.910 -5.738 1.00 0.00 C ATOM 1498 C ALA A 92 -7.431 0.974 -6.946 1.00 0.00 C ATOM 1499 O ALA A 92 -8.515 0.683 -7.451 1.00 0.00 O ATOM 1500 CB ALA A 92 -7.828 1.230 -4.448 1.00 0.00 C ATOM 0 H ALA A 92 -8.889 3.272 -5.277 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.321 2.196 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.212 0.351 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.733 1.927 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.870 0.927 -4.551 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.260 0.530 -7.376 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.172 -0.367 -8.516 1.00 0.00 C ATOM 1508 C ILE A 93 -5.372 -1.610 -8.121 1.00 0.00 C ATOM 1509 O ILE A 93 -4.308 -1.502 -7.514 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.604 0.368 -9.733 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.143 0.760 -9.505 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.471 1.574 -10.098 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.484 1.203 -10.812 1.00 0.00 C ATOM 0 H ILE A 93 -5.363 0.775 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.165 -0.706 -8.811 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.625 -0.313 -10.584 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.089 1.567 -8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.597 -0.085 -9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.046 2.079 -10.966 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.481 1.238 -10.333 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.505 2.266 -9.256 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.446 1.476 -10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.518 0.385 -11.532 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.018 2.064 -11.215 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.931 -2.794 -8.491 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.282 -4.056 -8.181 1.00 0.00 C ATOM 1527 C PRO A 94 -4.082 -4.296 -9.100 1.00 0.00 C ATOM 1528 O PRO A 94 -4.245 -4.475 -10.306 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.370 -5.107 -8.339 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.458 -4.456 -9.177 1.00 0.00 C ATOM 1531 CD PRO A 94 -7.190 -2.961 -9.211 1.00 0.00 C ATOM 0 HA PRO A 94 -4.867 -4.079 -7.173 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.982 -6.001 -8.828 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.757 -5.417 -7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.459 -4.866 -10.187 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.440 -4.658 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.112 -2.596 -10.235 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.996 -2.403 -8.734 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.904 -4.291 -8.494 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.677 -4.505 -9.243 1.00 0.00 C ATOM 1541 C LEU A 95 -1.606 -5.967 -9.690 1.00 0.00 C ATOM 1542 O LEU A 95 -2.626 -6.568 -10.024 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.465 -4.053 -8.426 1.00 0.00 C ATOM 1544 CG LEU A 95 0.906 -4.374 -9.025 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.734 -3.101 -9.212 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.642 -5.418 -8.184 1.00 0.00 C ATOM 0 H LEU A 95 -2.773 -4.142 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.670 -3.894 -10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.532 -2.975 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.525 -4.513 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 95 0.753 -4.807 -10.013 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.704 -3.357 -9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.210 -2.421 -9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.879 -2.616 -8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.613 -5.627 -8.632 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.784 -5.036 -7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.054 -6.335 -8.147 1.00 0.00 H new TER 1558 LEU A 95