USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 HIS : no HE2:sc= 0.413 K(o=1.7,f=-8!) USER MOD Set 1.2: B 3 THR OG1 : rot 141:sc= 1.29 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00185 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -75:sc= 0.56 USER MOD Single : A 16 CYS SG : rot 39:sc= 0.0379 USER MOD Single : A 19 LYS NZ :NH3+ -123:sc= 0.697 (180deg=-0.00283) USER MOD Single : A 22 ASN : amide:sc= 0.566 K(o=0.57,f=-5.5!) USER MOD Single : A 24 TYR OH : rot 50:sc= -1.62! USER MOD Single : A 27 HIS : no HE2:sc= 0.895 K(o=0.89,f=-4.9!) USER MOD Single : A 29 HIS : +bothHN:sc= 1.79 K(o=1.8,f=-9.8!) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -0.054 (180deg=-0.347) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc= -2.75 F(o=-5.2!,f=-2.7) USER MOD Single : A 38 TYR OH : rot 180:sc= 1.03 USER MOD Single : A 46 SER OG : rot -19:sc= 0.679 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.112 F(o=-1.6!,f=0.11) USER MOD Single : A 66 ASN : amide:sc= -0.361 K(o=-0.36,f=-4.9!) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 0.119 (180deg=-0.813!) USER MOD Single : A 71 THR OG1 : rot -175:sc= -1.43! USER MOD Single : A 73 GLN :FLIP amide:sc=-0.00223 F(o=-1.1,f=-0.0022) USER MOD Single : A 74 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.18) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 95 THR OG1 : rot 154:sc= 0.00902 USER MOD Single : A 98 GLN : amide:sc= 1.55 K(o=1.6,f=-0.0026) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= -1.64 (180deg=-2.52!) USER MOD Single : A 105 GLN : amide:sc= 0.502 K(o=0.5,f=-5.8!) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 119 GLN :FLIP amide:sc=-0.00691 F(o=-1.1,f=-0.0069) USER MOD Single : B 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 GLN N :NH3+ -167:sc= -0.0156 (180deg=-0.218) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -21.288 -22.175 0.453 1.00 0.00 N ATOM 2 CA GLY A 4 -21.751 -20.829 0.854 1.00 0.00 C ATOM 3 C GLY A 4 -20.599 -19.875 1.069 1.00 0.00 C ATOM 4 O GLY A 4 -19.930 -19.923 2.105 1.00 0.00 O ATOM 0 HA2 GLY A 4 -22.414 -20.430 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.335 -20.905 1.771 1.00 0.00 H new ATOM 10 N ILE A 5 -20.368 -19.016 0.086 1.00 0.00 N ATOM 11 CA ILE A 5 -19.284 -18.046 0.135 1.00 0.00 C ATOM 12 C ILE A 5 -19.353 -17.152 -1.100 1.00 0.00 C ATOM 13 O ILE A 5 -19.893 -17.552 -2.136 1.00 0.00 O ATOM 14 CB ILE A 5 -17.897 -18.754 0.220 1.00 0.00 C ATOM 15 CG1 ILE A 5 -17.070 -18.220 1.400 1.00 0.00 C ATOM 16 CG2 ILE A 5 -17.110 -18.636 -1.083 1.00 0.00 C ATOM 17 CD1 ILE A 5 -16.707 -16.753 1.302 1.00 0.00 C ATOM 0 H ILE A 5 -20.926 -18.972 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 5 -19.397 -17.438 1.032 1.00 0.00 H new ATOM 0 HB ILE A 5 -18.095 -19.813 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -17.629 -18.382 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.153 -18.804 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.151 -19.144 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -17.676 -19.096 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -16.940 -17.584 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -16.124 -16.463 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -16.118 -16.583 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -17.617 -16.155 1.258 1.00 0.00 H new ATOM 29 N ASP A 6 -18.848 -15.941 -0.981 1.00 0.00 N ATOM 30 CA ASP A 6 -18.742 -15.044 -2.121 1.00 0.00 C ATOM 31 C ASP A 6 -17.269 -14.752 -2.372 1.00 0.00 C ATOM 32 O ASP A 6 -16.532 -14.420 -1.444 1.00 0.00 O ATOM 33 CB ASP A 6 -19.517 -13.745 -1.866 1.00 0.00 C ATOM 34 CG ASP A 6 -20.133 -13.177 -3.132 1.00 0.00 C ATOM 35 OD1 ASP A 6 -20.673 -13.964 -3.939 1.00 0.00 O ATOM 36 OD2 ASP A 6 -20.116 -11.941 -3.311 1.00 0.00 O ATOM 0 H ASP A 6 -18.502 -15.551 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 6 -19.178 -15.517 -3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -20.304 -13.933 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.846 -13.005 -1.429 1.00 0.00 H new ATOM 41 N PRO A 7 -16.820 -14.913 -3.626 1.00 0.00 N ATOM 42 CA PRO A 7 -15.404 -14.775 -4.006 1.00 0.00 C ATOM 43 C PRO A 7 -14.803 -13.425 -3.649 1.00 0.00 C ATOM 44 O PRO A 7 -15.516 -12.442 -3.435 1.00 0.00 O ATOM 45 CB PRO A 7 -15.427 -14.943 -5.528 1.00 0.00 C ATOM 46 CG PRO A 7 -16.655 -15.728 -5.791 1.00 0.00 C ATOM 47 CD PRO A 7 -17.660 -15.251 -4.784 1.00 0.00 C ATOM 0 HA PRO A 7 -14.788 -15.501 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.456 -13.978 -6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.538 -15.464 -5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.013 -15.568 -6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.468 -16.796 -5.683 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.218 -14.387 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -18.390 -16.024 -4.543 1.00 0.00 H new ATOM 55 N PHE A 8 -13.479 -13.391 -3.613 1.00 0.00 N ATOM 56 CA PHE A 8 -12.747 -12.173 -3.290 1.00 0.00 C ATOM 57 C PHE A 8 -12.810 -11.195 -4.456 1.00 0.00 C ATOM 58 O PHE A 8 -11.900 -11.128 -5.282 1.00 0.00 O ATOM 59 CB PHE A 8 -11.290 -12.490 -2.939 1.00 0.00 C ATOM 60 CG PHE A 8 -11.125 -13.258 -1.656 1.00 0.00 C ATOM 61 CD1 PHE A 8 -10.999 -12.594 -0.448 1.00 0.00 C ATOM 62 CD2 PHE A 8 -11.092 -14.643 -1.659 1.00 0.00 C ATOM 63 CE1 PHE A 8 -10.844 -13.295 0.733 1.00 0.00 C ATOM 64 CE2 PHE A 8 -10.938 -15.350 -0.482 1.00 0.00 C ATOM 65 CZ PHE A 8 -10.815 -14.675 0.715 1.00 0.00 C ATOM 0 H PHE A 8 -12.886 -14.198 -3.805 1.00 0.00 H new ATOM 0 HA PHE A 8 -13.215 -11.713 -2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.847 -13.063 -3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.733 -11.556 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.022 -11.514 -0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -11.188 -15.177 -2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.746 -12.764 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.914 -16.430 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.696 -15.225 1.637 1.00 0.00 H new ATOM 75 N THR A 9 -13.899 -10.455 -4.518 1.00 0.00 N ATOM 76 CA THR A 9 -14.137 -9.514 -5.593 1.00 0.00 C ATOM 77 C THR A 9 -14.146 -8.088 -5.056 1.00 0.00 C ATOM 78 O THR A 9 -14.355 -7.874 -3.860 1.00 0.00 O ATOM 79 CB THR A 9 -15.489 -9.815 -6.282 1.00 0.00 C ATOM 80 OG1 THR A 9 -15.699 -8.941 -7.400 1.00 0.00 O ATOM 81 CG2 THR A 9 -16.639 -9.673 -5.296 1.00 0.00 C ATOM 0 H THR A 9 -14.645 -10.490 -3.823 1.00 0.00 H new ATOM 0 HA THR A 9 -13.333 -9.617 -6.322 1.00 0.00 H new ATOM 0 HB THR A 9 -15.457 -10.843 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.559 -9.150 -7.822 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.580 -9.889 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.500 -10.373 -4.472 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.661 -8.655 -4.907 1.00 0.00 H new ATOM 89 N MET A 10 -13.894 -7.128 -5.945 1.00 0.00 N ATOM 90 CA MET A 10 -13.973 -5.710 -5.612 1.00 0.00 C ATOM 91 C MET A 10 -13.023 -5.362 -4.472 1.00 0.00 C ATOM 92 O MET A 10 -13.379 -4.641 -3.540 1.00 0.00 O ATOM 93 CB MET A 10 -15.410 -5.322 -5.262 1.00 0.00 C ATOM 94 CG MET A 10 -16.382 -5.489 -6.419 1.00 0.00 C ATOM 95 SD MET A 10 -18.048 -4.939 -6.011 1.00 0.00 S ATOM 96 CE MET A 10 -18.897 -5.292 -7.548 1.00 0.00 C ATOM 0 H MET A 10 -13.630 -7.312 -6.913 1.00 0.00 H new ATOM 0 HA MET A 10 -13.666 -5.137 -6.487 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.748 -5.930 -4.423 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.427 -4.284 -4.930 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.018 -4.926 -7.278 1.00 0.00 H new ATOM 0 HG3 MET A 10 -16.412 -6.538 -6.715 1.00 0.00 H new ATOM 0 HE1 MET A 10 -19.945 -5.007 -7.459 1.00 0.00 H new ATOM 0 HE2 MET A 10 -18.435 -4.727 -8.357 1.00 0.00 H new ATOM 0 HE3 MET A 10 -18.828 -6.358 -7.765 1.00 0.00 H new ATOM 106 N LEU A 11 -11.812 -5.883 -4.570 1.00 0.00 N ATOM 107 CA LEU A 11 -10.788 -5.672 -3.558 1.00 0.00 C ATOM 108 C LEU A 11 -10.403 -4.193 -3.496 1.00 0.00 C ATOM 109 O LEU A 11 -10.342 -3.516 -4.526 1.00 0.00 O ATOM 110 CB LEU A 11 -9.572 -6.541 -3.886 1.00 0.00 C ATOM 111 CG LEU A 11 -9.903 -8.005 -4.202 1.00 0.00 C ATOM 112 CD1 LEU A 11 -8.684 -8.729 -4.745 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.429 -8.710 -2.961 1.00 0.00 C ATOM 0 H LEU A 11 -11.510 -6.464 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.174 -5.958 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.051 -6.107 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.882 -6.512 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.679 -8.021 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.943 -9.765 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.348 -8.240 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.885 -8.702 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.659 -9.748 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.673 -8.679 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.333 -8.209 -2.614 1.00 0.00 H new ATOM 125 N PRO A 12 -10.168 -3.673 -2.277 1.00 0.00 N ATOM 126 CA PRO A 12 -9.880 -2.249 -2.054 1.00 0.00 C ATOM 127 C PRO A 12 -8.625 -1.774 -2.777 1.00 0.00 C ATOM 128 O PRO A 12 -7.642 -2.504 -2.895 1.00 0.00 O ATOM 129 CB PRO A 12 -9.682 -2.145 -0.538 1.00 0.00 C ATOM 130 CG PRO A 12 -10.336 -3.357 0.021 1.00 0.00 C ATOM 131 CD PRO A 12 -10.167 -4.431 -1.017 1.00 0.00 C ATOM 0 HA PRO A 12 -10.684 -1.623 -2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.624 -2.113 -0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.134 -1.235 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.875 -3.650 0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.391 -3.173 0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.238 -4.984 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.979 -5.158 -0.982 1.00 0.00 H new ATOM 139 N ARG A 13 -8.663 -0.533 -3.237 1.00 0.00 N ATOM 140 CA ARG A 13 -7.571 0.030 -4.013 1.00 0.00 C ATOM 141 C ARG A 13 -6.885 1.151 -3.238 1.00 0.00 C ATOM 142 O ARG A 13 -7.545 2.055 -2.725 1.00 0.00 O ATOM 143 CB ARG A 13 -8.114 0.567 -5.345 1.00 0.00 C ATOM 144 CG ARG A 13 -9.267 1.547 -5.173 1.00 0.00 C ATOM 145 CD ARG A 13 -9.886 1.956 -6.500 1.00 0.00 C ATOM 146 NE ARG A 13 -11.063 2.808 -6.304 1.00 0.00 N ATOM 147 CZ ARG A 13 -12.262 2.565 -6.839 1.00 0.00 C ATOM 148 NH1 ARG A 13 -12.432 1.538 -7.668 1.00 0.00 N ATOM 149 NH2 ARG A 13 -13.285 3.363 -6.556 1.00 0.00 N ATOM 0 H ARG A 13 -9.443 0.106 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.836 -0.751 -4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.306 1.058 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.446 -0.271 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.033 1.095 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.910 2.436 -4.653 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.147 2.487 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.170 1.065 -7.060 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.959 3.639 -5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.644 0.932 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.350 1.357 -8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.154 4.159 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.202 3.180 -6.963 1.00 0.00 H new ATOM 163 N LEU A 14 -5.566 1.080 -3.123 1.00 0.00 N ATOM 164 CA LEU A 14 -4.816 2.179 -2.546 1.00 0.00 C ATOM 165 C LEU A 14 -4.294 3.076 -3.658 1.00 0.00 C ATOM 166 O LEU A 14 -3.822 2.600 -4.692 1.00 0.00 O ATOM 167 CB LEU A 14 -3.686 1.691 -1.601 1.00 0.00 C ATOM 168 CG LEU A 14 -2.397 1.087 -2.212 1.00 0.00 C ATOM 169 CD1 LEU A 14 -2.691 0.092 -3.328 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.442 2.183 -2.677 1.00 0.00 C ATOM 0 H LEU A 14 -5.002 0.283 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.487 2.763 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.390 2.537 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.116 0.942 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.904 0.525 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.754 -0.301 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.292 -0.728 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.238 0.593 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.546 1.729 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.932 2.795 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.165 2.808 -1.828 1.00 0.00 H new ATOM 182 N CYS A 15 -4.427 4.367 -3.464 1.00 0.00 N ATOM 183 CA CYS A 15 -4.012 5.329 -4.458 1.00 0.00 C ATOM 184 C CYS A 15 -2.836 6.137 -3.949 1.00 0.00 C ATOM 185 O CYS A 15 -2.962 6.884 -2.977 1.00 0.00 O ATOM 186 CB CYS A 15 -5.180 6.253 -4.802 1.00 0.00 C ATOM 187 SG CYS A 15 -6.647 5.383 -5.389 1.00 0.00 S ATOM 0 H CYS A 15 -4.823 4.778 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.702 4.798 -5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.443 6.835 -3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.859 6.961 -5.566 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.452 4.977 -6.608 1.00 0.00 H new ATOM 193 N CYS A 16 -1.686 5.960 -4.572 1.00 0.00 N ATOM 194 CA CYS A 16 -0.536 6.774 -4.243 1.00 0.00 C ATOM 195 C CYS A 16 -0.668 8.118 -4.938 1.00 0.00 C ATOM 196 O CYS A 16 -0.516 8.221 -6.157 1.00 0.00 O ATOM 197 CB CYS A 16 0.756 6.071 -4.656 1.00 0.00 C ATOM 198 SG CYS A 16 0.805 5.577 -6.396 1.00 0.00 S ATOM 0 H CYS A 16 -1.526 5.266 -5.302 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.495 6.930 -3.165 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.598 6.733 -4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.890 5.186 -4.034 1.00 0.00 H new ATOM 0 HG CYS A 16 0.247 6.498 -7.124 1.00 0.00 H new ATOM 204 N LEU A 17 -0.980 9.138 -4.166 1.00 0.00 N ATOM 205 CA LEU A 17 -1.191 10.457 -4.721 1.00 0.00 C ATOM 206 C LEU A 17 0.112 11.231 -4.763 1.00 0.00 C ATOM 207 O LEU A 17 0.736 11.467 -3.730 1.00 0.00 O ATOM 208 CB LEU A 17 -2.229 11.227 -3.902 1.00 0.00 C ATOM 209 CG LEU A 17 -3.533 11.544 -4.634 1.00 0.00 C ATOM 210 CD1 LEU A 17 -3.249 12.284 -5.931 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.327 10.272 -4.894 1.00 0.00 C ATOM 0 H LEU A 17 -1.093 9.079 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.564 10.341 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.464 10.649 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.782 12.163 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.137 12.192 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.189 12.502 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.731 13.217 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.624 11.664 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.251 10.520 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.735 9.593 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.564 9.791 -3.945 1.00 0.00 H new ATOM 223 N GLU A 18 0.517 11.602 -5.963 1.00 0.00 N ATOM 224 CA GLU A 18 1.673 12.459 -6.152 1.00 0.00 C ATOM 225 C GLU A 18 1.228 13.908 -6.041 1.00 0.00 C ATOM 226 O GLU A 18 0.258 14.305 -6.681 1.00 0.00 O ATOM 227 CB GLU A 18 2.298 12.217 -7.529 1.00 0.00 C ATOM 228 CG GLU A 18 2.791 10.796 -7.751 1.00 0.00 C ATOM 229 CD GLU A 18 4.016 10.455 -6.925 1.00 0.00 C ATOM 230 OE1 GLU A 18 5.008 11.213 -6.985 1.00 0.00 O ATOM 231 OE2 GLU A 18 4.006 9.410 -6.243 1.00 0.00 O ATOM 0 H GLU A 18 0.058 11.320 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 18 2.419 12.235 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.562 12.458 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.134 12.904 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.990 10.098 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.023 10.659 -8.807 1.00 0.00 H new ATOM 238 N LYS A 19 1.900 14.689 -5.213 1.00 0.00 N ATOM 239 CA LYS A 19 1.524 16.079 -5.045 1.00 0.00 C ATOM 240 C LYS A 19 1.929 16.902 -6.254 1.00 0.00 C ATOM 241 O LYS A 19 2.942 16.638 -6.906 1.00 0.00 O ATOM 242 CB LYS A 19 2.132 16.693 -3.783 1.00 0.00 C ATOM 243 CG LYS A 19 1.754 18.158 -3.616 1.00 0.00 C ATOM 244 CD LYS A 19 2.353 18.784 -2.378 1.00 0.00 C ATOM 245 CE LYS A 19 1.621 18.352 -1.119 1.00 0.00 C ATOM 246 NZ LYS A 19 2.167 19.014 0.098 1.00 0.00 N ATOM 0 H LYS A 19 2.698 14.388 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 19 0.439 16.097 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.797 16.132 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.217 16.602 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.083 18.715 -4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.668 18.245 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.404 18.505 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.317 19.870 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.561 18.589 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.697 17.270 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.471 18.290 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.981 19.606 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.431 19.609 0.529 1.00 0.00 H new ATOM 260 N GLY A 20 1.116 17.901 -6.531 1.00 0.00 N ATOM 261 CA GLY A 20 1.368 18.797 -7.631 1.00 0.00 C ATOM 262 C GLY A 20 1.822 20.155 -7.142 1.00 0.00 C ATOM 263 O GLY A 20 2.461 20.253 -6.096 1.00 0.00 O ATOM 0 H GLY A 20 0.269 18.110 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.130 18.370 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.463 18.907 -8.228 1.00 0.00 H new ATOM 267 N PRO A 21 1.477 21.229 -7.864 1.00 0.00 N ATOM 268 CA PRO A 21 1.925 22.584 -7.528 1.00 0.00 C ATOM 269 C PRO A 21 1.372 23.097 -6.195 1.00 0.00 C ATOM 270 O PRO A 21 2.031 23.878 -5.506 1.00 0.00 O ATOM 271 CB PRO A 21 1.408 23.437 -8.692 1.00 0.00 C ATOM 272 CG PRO A 21 0.295 22.651 -9.290 1.00 0.00 C ATOM 273 CD PRO A 21 0.642 21.206 -9.078 1.00 0.00 C ATOM 0 HA PRO A 21 3.007 22.619 -7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.060 24.409 -8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.195 23.624 -9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.655 22.897 -8.815 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.187 22.874 -10.352 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.250 20.595 -8.940 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.183 20.794 -9.930 1.00 0.00 H new ATOM 281 N ASN A 22 0.169 22.662 -5.824 1.00 0.00 N ATOM 282 CA ASN A 22 -0.461 23.146 -4.593 1.00 0.00 C ATOM 283 C ASN A 22 -1.482 22.156 -4.034 1.00 0.00 C ATOM 284 O ASN A 22 -2.443 22.561 -3.385 1.00 0.00 O ATOM 285 CB ASN A 22 -1.149 24.503 -4.827 1.00 0.00 C ATOM 286 CG ASN A 22 -2.238 24.445 -5.886 1.00 0.00 C ATOM 287 OD1 ASN A 22 -3.391 24.111 -5.602 1.00 0.00 O ATOM 288 ND2 ASN A 22 -1.884 24.796 -7.111 1.00 0.00 N ATOM 0 H ASN A 22 -0.384 21.985 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 22 0.339 23.259 -3.861 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.581 24.851 -3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.400 25.237 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.575 24.797 -7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.920 25.066 -7.306 1.00 0.00 H new ATOM 295 N GLY A 23 -1.273 20.867 -4.252 1.00 0.00 N ATOM 296 CA GLY A 23 -2.235 19.891 -3.775 1.00 0.00 C ATOM 297 C GLY A 23 -2.265 18.635 -4.615 1.00 0.00 C ATOM 298 O GLY A 23 -1.246 18.247 -5.190 1.00 0.00 O ATOM 0 H GLY A 23 -0.467 20.481 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.997 19.627 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.228 20.341 -3.767 1.00 0.00 H new ATOM 302 N TYR A 24 -3.433 18.008 -4.695 1.00 0.00 N ATOM 303 CA TYR A 24 -3.581 16.744 -5.402 1.00 0.00 C ATOM 304 C TYR A 24 -4.646 16.832 -6.489 1.00 0.00 C ATOM 305 O TYR A 24 -4.531 16.184 -7.527 1.00 0.00 O ATOM 306 CB TYR A 24 -3.912 15.627 -4.415 1.00 0.00 C ATOM 307 CG TYR A 24 -2.810 15.390 -3.415 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.629 14.781 -3.804 1.00 0.00 C ATOM 309 CD2 TYR A 24 -2.941 15.786 -2.090 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.604 14.571 -2.908 1.00 0.00 C ATOM 311 CE2 TYR A 24 -1.918 15.578 -1.181 1.00 0.00 C ATOM 312 CZ TYR A 24 -0.749 14.966 -1.597 1.00 0.00 C ATOM 313 OH TYR A 24 0.279 14.757 -0.706 1.00 0.00 O ATOM 0 H TYR A 24 -4.295 18.358 -4.276 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.633 16.518 -5.890 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.831 15.877 -3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.102 14.706 -4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.509 14.465 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.854 16.263 -1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.311 14.098 -3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.032 15.891 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 24 1.116 15.094 -1.088 1.00 0.00 H new ATOM 323 N GLY A 25 -5.683 17.624 -6.241 1.00 0.00 N ATOM 324 CA GLY A 25 -6.646 17.922 -7.284 1.00 0.00 C ATOM 325 C GLY A 25 -7.982 17.214 -7.135 1.00 0.00 C ATOM 326 O GLY A 25 -8.679 16.994 -8.128 1.00 0.00 O ATOM 0 H GLY A 25 -5.873 18.063 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.820 18.998 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.213 17.653 -8.247 1.00 0.00 H new ATOM 330 N PHE A 26 -8.375 16.866 -5.917 1.00 0.00 N ATOM 331 CA PHE A 26 -9.699 16.292 -5.721 1.00 0.00 C ATOM 332 C PHE A 26 -10.413 16.953 -4.557 1.00 0.00 C ATOM 333 O PHE A 26 -9.785 17.473 -3.637 1.00 0.00 O ATOM 334 CB PHE A 26 -9.647 14.767 -5.537 1.00 0.00 C ATOM 335 CG PHE A 26 -8.770 14.287 -4.413 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.399 14.184 -4.579 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.323 13.905 -3.200 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.596 13.712 -3.560 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.523 13.438 -2.176 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.159 13.340 -2.357 1.00 0.00 C ATOM 0 H PHE A 26 -7.814 16.967 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.269 16.488 -6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.660 14.403 -5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.298 14.317 -6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.952 14.477 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.391 13.974 -3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.529 13.634 -3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.965 13.150 -1.234 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.533 12.972 -1.558 1.00 0.00 H new ATOM 350 N HIS A 27 -11.733 16.931 -4.619 1.00 0.00 N ATOM 351 CA HIS A 27 -12.573 17.612 -3.645 1.00 0.00 C ATOM 352 C HIS A 27 -13.167 16.608 -2.673 1.00 0.00 C ATOM 353 O HIS A 27 -13.820 15.652 -3.093 1.00 0.00 O ATOM 354 CB HIS A 27 -13.702 18.366 -4.355 1.00 0.00 C ATOM 355 CG HIS A 27 -13.237 19.467 -5.258 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.407 20.798 -4.960 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.612 19.429 -6.457 1.00 0.00 C ATOM 358 CE1 HIS A 27 -12.913 21.535 -5.937 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.421 20.727 -6.859 1.00 0.00 N ATOM 0 H HIS A 27 -12.254 16.441 -5.346 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.958 18.324 -3.095 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.286 17.655 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.371 18.786 -3.604 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -13.847 21.160 -4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.318 18.542 -6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.911 22.614 -5.976 1.00 0.00 H new ATOM 368 N LEU A 28 -12.940 16.812 -1.384 1.00 0.00 N ATOM 369 CA LEU A 28 -13.452 15.900 -0.376 1.00 0.00 C ATOM 370 C LEU A 28 -14.545 16.578 0.450 1.00 0.00 C ATOM 371 O LEU A 28 -14.343 17.653 1.017 1.00 0.00 O ATOM 372 CB LEU A 28 -12.305 15.404 0.518 1.00 0.00 C ATOM 373 CG LEU A 28 -12.622 14.192 1.403 1.00 0.00 C ATOM 374 CD1 LEU A 28 -11.356 13.399 1.690 1.00 0.00 C ATOM 375 CD2 LEU A 28 -13.262 14.625 2.710 1.00 0.00 C ATOM 0 H LEU A 28 -12.406 17.598 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.895 15.036 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.457 15.153 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.989 16.226 1.160 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.327 13.559 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.598 12.542 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.925 13.050 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.637 14.036 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.477 13.747 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.580 15.282 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.190 15.158 2.502 1.00 0.00 H new ATOM 387 N HIS A 29 -15.706 15.942 0.499 1.00 0.00 N ATOM 388 CA HIS A 29 -16.837 16.434 1.274 1.00 0.00 C ATOM 389 C HIS A 29 -17.440 15.284 2.067 1.00 0.00 C ATOM 390 O HIS A 29 -17.635 14.198 1.536 1.00 0.00 O ATOM 391 CB HIS A 29 -17.893 17.064 0.349 1.00 0.00 C ATOM 392 CG HIS A 29 -19.219 17.361 1.000 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.590 18.619 1.427 1.00 0.00 N ATOM 394 CD2 HIS A 29 -20.269 16.550 1.285 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.806 18.570 1.941 1.00 0.00 C ATOM 396 NE2 HIS A 29 -21.238 17.327 1.868 1.00 0.00 N ATOM 0 H HIS A 29 -15.891 15.070 0.003 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.492 17.205 1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.490 17.991 -0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -18.062 16.393 -0.493 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -19.014 19.458 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -20.331 15.490 1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.353 19.406 2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -22.147 16.996 2.193 1.00 0.00 H new ATOM 405 N GLY A 30 -17.722 15.526 3.333 1.00 0.00 N ATOM 406 CA GLY A 30 -18.323 14.506 4.162 1.00 0.00 C ATOM 407 C GLY A 30 -19.237 15.107 5.201 1.00 0.00 C ATOM 408 O GLY A 30 -18.863 16.068 5.873 1.00 0.00 O ATOM 0 H GLY A 30 -17.545 16.413 3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -18.886 13.813 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.541 13.928 4.654 1.00 0.00 H new ATOM 412 N GLU A 31 -20.435 14.559 5.324 1.00 0.00 N ATOM 413 CA GLU A 31 -21.410 15.075 6.268 1.00 0.00 C ATOM 414 C GLU A 31 -21.974 13.953 7.132 1.00 0.00 C ATOM 415 O GLU A 31 -22.591 13.015 6.626 1.00 0.00 O ATOM 416 CB GLU A 31 -22.531 15.793 5.512 1.00 0.00 C ATOM 417 CG GLU A 31 -23.082 14.997 4.338 1.00 0.00 C ATOM 418 CD GLU A 31 -24.105 15.772 3.540 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.703 16.530 2.629 1.00 0.00 O ATOM 420 OE2 GLU A 31 -25.318 15.621 3.810 1.00 0.00 O ATOM 0 H GLU A 31 -20.755 13.757 4.781 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.917 15.788 6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -23.343 16.011 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.157 16.750 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -22.260 14.706 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.536 14.078 4.708 1.00 0.00 H new ATOM 427 N LYS A 32 -21.742 14.049 8.433 1.00 0.00 N ATOM 428 CA LYS A 32 -22.292 13.095 9.386 1.00 0.00 C ATOM 429 C LYS A 32 -22.060 13.579 10.811 1.00 0.00 C ATOM 430 O LYS A 32 -22.984 14.034 11.479 1.00 0.00 O ATOM 431 CB LYS A 32 -21.671 11.704 9.211 1.00 0.00 C ATOM 432 CG LYS A 32 -22.423 10.626 9.974 1.00 0.00 C ATOM 433 CD LYS A 32 -23.766 10.330 9.324 1.00 0.00 C ATOM 434 CE LYS A 32 -24.802 9.882 10.340 1.00 0.00 C ATOM 435 NZ LYS A 32 -25.183 10.987 11.262 1.00 0.00 N ATOM 0 H LYS A 32 -21.173 14.783 8.855 1.00 0.00 H new ATOM 0 HA LYS A 32 -23.362 13.020 9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.654 11.449 8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -20.635 11.728 9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -21.824 9.716 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -22.577 10.946 11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.124 11.222 8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.640 9.555 8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.689 9.520 9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.408 9.046 10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.123 10.795 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.485 11.055 12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.208 11.884 10.737 1.00 0.00 H new ATOM 449 N GLY A 33 -20.818 13.489 11.266 1.00 0.00 N ATOM 450 CA GLY A 33 -20.488 13.903 12.614 1.00 0.00 C ATOM 451 C GLY A 33 -19.010 13.761 12.892 1.00 0.00 C ATOM 452 O GLY A 33 -18.274 14.748 12.885 1.00 0.00 O ATOM 0 H GLY A 33 -20.031 13.135 10.723 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.789 14.940 12.761 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.053 13.304 13.328 1.00 0.00 H new ATOM 456 N LYS A 34 -18.566 12.529 13.102 1.00 0.00 N ATOM 457 CA LYS A 34 -17.158 12.263 13.338 1.00 0.00 C ATOM 458 C LYS A 34 -16.505 11.879 12.032 1.00 0.00 C ATOM 459 O LYS A 34 -15.712 12.632 11.476 1.00 0.00 O ATOM 460 CB LYS A 34 -16.961 11.151 14.375 1.00 0.00 C ATOM 461 CG LYS A 34 -17.424 11.531 15.771 1.00 0.00 C ATOM 462 CD LYS A 34 -16.789 12.834 16.222 1.00 0.00 C ATOM 463 CE LYS A 34 -17.213 13.206 17.631 1.00 0.00 C ATOM 464 NZ LYS A 34 -16.836 14.603 17.960 1.00 0.00 N ATOM 0 H LYS A 34 -19.161 11.701 13.113 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.695 13.166 13.736 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.504 10.263 14.051 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.905 10.883 14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.510 11.629 15.783 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.167 10.736 16.471 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.704 12.744 16.180 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.069 13.632 15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.292 13.086 17.731 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.748 12.525 18.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.140 14.825 18.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.804 14.710 17.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.299 15.254 17.294 1.00 0.00 H new ATOM 478 N LEU A 35 -16.874 10.718 11.526 1.00 0.00 N ATOM 479 CA LEU A 35 -16.368 10.277 10.252 1.00 0.00 C ATOM 480 C LEU A 35 -17.212 10.858 9.127 1.00 0.00 C ATOM 481 O LEU A 35 -18.441 10.912 9.213 1.00 0.00 O ATOM 482 CB LEU A 35 -16.286 8.744 10.193 1.00 0.00 C ATOM 483 CG LEU A 35 -17.528 7.979 10.663 1.00 0.00 C ATOM 484 CD1 LEU A 35 -18.532 7.807 9.533 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.125 6.629 11.233 1.00 0.00 C ATOM 0 H LEU A 35 -17.519 10.070 11.979 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.351 10.647 10.124 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.073 8.452 9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.438 8.423 10.797 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.011 8.563 11.447 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.401 7.261 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.845 8.787 9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.070 7.250 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -18.015 6.094 11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.616 6.047 10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.455 6.777 12.080 1.00 0.00 H new ATOM 497 N GLY A 36 -16.536 11.327 8.094 1.00 0.00 N ATOM 498 CA GLY A 36 -17.208 11.982 6.997 1.00 0.00 C ATOM 499 C GLY A 36 -16.236 12.370 5.908 1.00 0.00 C ATOM 500 O GLY A 36 -15.934 13.554 5.715 1.00 0.00 O ATOM 0 H GLY A 36 -15.523 11.264 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.970 11.319 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -17.722 12.871 7.362 1.00 0.00 H new ATOM 504 N GLN A 37 -15.723 11.374 5.209 1.00 0.00 N ATOM 505 CA GLN A 37 -14.777 11.604 4.137 1.00 0.00 C ATOM 506 C GLN A 37 -15.223 10.895 2.863 1.00 0.00 C ATOM 507 O GLN A 37 -15.298 9.666 2.809 1.00 0.00 O ATOM 508 CB GLN A 37 -13.365 11.152 4.552 1.00 0.00 C ATOM 509 CG GLN A 37 -13.309 9.780 5.226 1.00 0.00 C ATOM 510 CD GLN A 37 -13.734 9.791 6.692 1.00 0.00 C ATOM 511 OE1 GLN A 37 -13.439 10.873 7.404 1.00 0.00 O flip ATOM 512 NE2 GLN A 37 -14.314 8.830 7.183 1.00 0.00 N flip ATOM 0 H GLN A 37 -15.949 10.392 5.368 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.744 12.674 3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.729 11.134 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.945 11.894 5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.951 9.091 4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.292 9.393 5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.526 8.014 6.609 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.585 8.846 8.166 1.00 0.00 H new ATOM 521 N TYR A 38 -15.522 11.687 1.845 1.00 0.00 N ATOM 522 CA TYR A 38 -15.947 11.172 0.553 1.00 0.00 C ATOM 523 C TYR A 38 -15.382 12.045 -0.552 1.00 0.00 C ATOM 524 O TYR A 38 -15.292 13.267 -0.399 1.00 0.00 O ATOM 525 CB TYR A 38 -17.478 11.147 0.434 1.00 0.00 C ATOM 526 CG TYR A 38 -18.173 10.169 1.357 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.243 8.820 1.037 1.00 0.00 C ATOM 528 CD2 TYR A 38 -18.771 10.599 2.536 1.00 0.00 C ATOM 529 CE1 TYR A 38 -18.883 7.923 1.870 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.415 9.707 3.373 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.469 8.371 3.035 1.00 0.00 C ATOM 532 OH TYR A 38 -20.113 7.479 3.862 1.00 0.00 O ATOM 0 H TYR A 38 -15.477 12.705 1.891 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.576 10.151 0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -17.860 12.148 0.635 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.744 10.905 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.790 8.466 0.123 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -18.732 11.645 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -18.924 6.876 1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -19.874 10.055 4.287 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.470 7.954 4.641 1.00 0.00 H new ATOM 542 N ILE A 39 -14.999 11.422 -1.653 1.00 0.00 N ATOM 543 CA ILE A 39 -14.501 12.155 -2.803 1.00 0.00 C ATOM 544 C ILE A 39 -15.675 12.614 -3.656 1.00 0.00 C ATOM 545 O ILE A 39 -16.487 11.803 -4.098 1.00 0.00 O ATOM 546 CB ILE A 39 -13.543 11.304 -3.663 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.494 10.618 -2.780 1.00 0.00 C ATOM 548 CG2 ILE A 39 -12.866 12.173 -4.718 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.667 11.577 -1.948 1.00 0.00 C ATOM 0 H ILE A 39 -15.024 10.410 -1.775 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.940 13.013 -2.433 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.124 10.533 -4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.997 9.916 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.826 10.034 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.193 11.560 -5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.623 12.618 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.297 12.963 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.949 11.015 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.134 12.263 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.323 12.144 -1.287 1.00 0.00 H new ATOM 561 N ARG A 40 -15.765 13.915 -3.863 1.00 0.00 N ATOM 562 CA ARG A 40 -16.886 14.498 -4.586 1.00 0.00 C ATOM 563 C ARG A 40 -16.567 14.659 -6.061 1.00 0.00 C ATOM 564 O ARG A 40 -17.375 14.311 -6.920 1.00 0.00 O ATOM 565 CB ARG A 40 -17.254 15.855 -3.990 1.00 0.00 C ATOM 566 CG ARG A 40 -17.952 15.759 -2.650 1.00 0.00 C ATOM 567 CD ARG A 40 -19.351 15.185 -2.797 1.00 0.00 C ATOM 568 NE ARG A 40 -20.182 16.007 -3.676 1.00 0.00 N ATOM 569 CZ ARG A 40 -21.427 15.699 -4.025 1.00 0.00 C ATOM 570 NH1 ARG A 40 -22.011 14.618 -3.526 1.00 0.00 N ATOM 571 NH2 ARG A 40 -22.092 16.481 -4.868 1.00 0.00 N ATOM 0 H ARG A 40 -15.074 14.592 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.732 13.818 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.348 16.450 -3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.899 16.387 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.368 15.131 -1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.008 16.748 -2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.289 14.173 -3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.820 15.112 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.781 16.870 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.505 14.020 -2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.967 14.384 -3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.647 17.317 -5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.047 16.245 -5.136 1.00 0.00 H new ATOM 585 N LEU A 41 -15.389 15.186 -6.347 1.00 0.00 N ATOM 586 CA LEU A 41 -14.989 15.450 -7.717 1.00 0.00 C ATOM 587 C LEU A 41 -13.476 15.425 -7.839 1.00 0.00 C ATOM 588 O LEU A 41 -12.770 15.953 -6.977 1.00 0.00 O ATOM 589 CB LEU A 41 -15.525 16.813 -8.169 1.00 0.00 C ATOM 590 CG LEU A 41 -15.257 17.170 -9.633 1.00 0.00 C ATOM 591 CD1 LEU A 41 -15.953 16.187 -10.560 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.706 18.594 -9.922 1.00 0.00 C ATOM 0 H LEU A 41 -14.692 15.440 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.407 14.673 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.601 16.836 -7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.085 17.585 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.184 17.105 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.750 16.458 -11.596 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.581 15.181 -10.369 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.028 16.217 -10.381 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.509 18.833 -10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.774 18.686 -9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.158 19.285 -9.282 1.00 0.00 H new ATOM 604 N VAL A 42 -12.987 14.804 -8.899 1.00 0.00 N ATOM 605 CA VAL A 42 -11.562 14.761 -9.171 1.00 0.00 C ATOM 606 C VAL A 42 -11.276 15.388 -10.532 1.00 0.00 C ATOM 607 O VAL A 42 -12.034 15.195 -11.485 1.00 0.00 O ATOM 608 CB VAL A 42 -11.011 13.314 -9.117 1.00 0.00 C ATOM 609 CG1 VAL A 42 -11.738 12.402 -10.089 1.00 0.00 C ATOM 610 CG2 VAL A 42 -9.519 13.297 -9.397 1.00 0.00 C ATOM 0 H VAL A 42 -13.561 14.320 -9.589 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.054 15.333 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.185 12.936 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.324 11.396 -10.023 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.799 12.375 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.614 12.779 -11.104 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.152 12.271 -9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.330 13.709 -10.388 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.002 13.899 -8.650 1.00 0.00 H new ATOM 620 N GLU A 43 -10.207 16.163 -10.612 1.00 0.00 N ATOM 621 CA GLU A 43 -9.848 16.847 -11.839 1.00 0.00 C ATOM 622 C GLU A 43 -8.970 15.952 -12.715 1.00 0.00 C ATOM 623 O GLU A 43 -8.003 15.356 -12.242 1.00 0.00 O ATOM 624 CB GLU A 43 -9.124 18.148 -11.491 1.00 0.00 C ATOM 625 CG GLU A 43 -8.646 18.928 -12.698 1.00 0.00 C ATOM 626 CD GLU A 43 -7.983 20.233 -12.320 1.00 0.00 C ATOM 627 OE1 GLU A 43 -8.705 21.226 -12.087 1.00 0.00 O ATOM 628 OE2 GLU A 43 -6.737 20.282 -12.261 1.00 0.00 O ATOM 0 H GLU A 43 -9.570 16.334 -9.834 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.750 17.079 -12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.793 18.779 -10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.267 17.917 -10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.943 18.318 -13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.493 19.131 -13.354 1.00 0.00 H new ATOM 635 N PRO A 44 -9.313 15.834 -14.010 1.00 0.00 N ATOM 636 CA PRO A 44 -8.558 15.017 -14.971 1.00 0.00 C ATOM 637 C PRO A 44 -7.127 15.507 -15.148 1.00 0.00 C ATOM 638 O PRO A 44 -6.239 14.753 -15.547 1.00 0.00 O ATOM 639 CB PRO A 44 -9.329 15.184 -16.284 1.00 0.00 C ATOM 640 CG PRO A 44 -10.152 16.413 -16.100 1.00 0.00 C ATOM 641 CD PRO A 44 -10.475 16.480 -14.638 1.00 0.00 C ATOM 0 HA PRO A 44 -8.477 13.983 -14.636 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.649 15.288 -17.129 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.957 14.316 -16.485 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.605 17.300 -16.420 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.062 16.366 -16.699 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.597 17.509 -14.299 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.402 15.956 -14.406 1.00 0.00 H new ATOM 649 N GLY A 45 -6.914 16.778 -14.851 1.00 0.00 N ATOM 650 CA GLY A 45 -5.602 17.359 -14.987 1.00 0.00 C ATOM 651 C GLY A 45 -4.789 17.264 -13.713 1.00 0.00 C ATOM 652 O GLY A 45 -3.752 17.914 -13.583 1.00 0.00 O ATOM 0 H GLY A 45 -7.633 17.419 -14.516 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.068 16.856 -15.793 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.700 18.406 -15.274 1.00 0.00 H new ATOM 656 N SER A 46 -5.247 16.449 -12.773 1.00 0.00 N ATOM 657 CA SER A 46 -4.541 16.272 -11.518 1.00 0.00 C ATOM 658 C SER A 46 -4.293 14.789 -11.258 1.00 0.00 C ATOM 659 O SER A 46 -5.140 13.955 -11.564 1.00 0.00 O ATOM 660 CB SER A 46 -5.337 16.903 -10.372 1.00 0.00 C ATOM 661 OG SER A 46 -6.632 16.338 -10.259 1.00 0.00 O ATOM 0 H SER A 46 -6.104 15.902 -12.858 1.00 0.00 H new ATOM 0 HA SER A 46 -3.575 16.773 -11.579 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.797 16.765 -9.435 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.422 17.977 -10.536 1.00 0.00 H new ATOM 0 HG SER A 46 -6.865 15.885 -11.096 1.00 0.00 H new ATOM 667 N PRO A 47 -3.127 14.463 -10.673 1.00 0.00 N ATOM 668 CA PRO A 47 -2.646 13.077 -10.480 1.00 0.00 C ATOM 669 C PRO A 47 -3.621 12.153 -9.744 1.00 0.00 C ATOM 670 O PRO A 47 -3.419 10.938 -9.712 1.00 0.00 O ATOM 671 CB PRO A 47 -1.362 13.244 -9.658 1.00 0.00 C ATOM 672 CG PRO A 47 -1.408 14.637 -9.128 1.00 0.00 C ATOM 673 CD PRO A 47 -2.168 15.436 -10.138 1.00 0.00 C ATOM 0 HA PRO A 47 -2.510 12.594 -11.448 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.317 12.517 -8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.477 13.088 -10.275 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.899 14.669 -8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.403 15.036 -8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.670 16.290 -9.683 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.514 15.829 -10.917 1.00 0.00 H new ATOM 681 N ALA A 48 -4.655 12.716 -9.139 1.00 0.00 N ATOM 682 CA ALA A 48 -5.617 11.925 -8.388 1.00 0.00 C ATOM 683 C ALA A 48 -6.320 10.897 -9.272 1.00 0.00 C ATOM 684 O ALA A 48 -6.563 9.767 -8.842 1.00 0.00 O ATOM 685 CB ALA A 48 -6.639 12.834 -7.731 1.00 0.00 C ATOM 0 H ALA A 48 -4.850 13.717 -9.153 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.069 11.380 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.355 12.232 -7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.133 13.520 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.165 13.404 -8.497 1.00 0.00 H new ATOM 691 N GLU A 49 -6.621 11.271 -10.511 1.00 0.00 N ATOM 692 CA GLU A 49 -7.359 10.381 -11.403 1.00 0.00 C ATOM 693 C GLU A 49 -6.517 9.182 -11.850 1.00 0.00 C ATOM 694 O GLU A 49 -7.033 8.077 -11.997 1.00 0.00 O ATOM 695 CB GLU A 49 -7.940 11.141 -12.609 1.00 0.00 C ATOM 696 CG GLU A 49 -7.038 12.220 -13.205 1.00 0.00 C ATOM 697 CD GLU A 49 -5.830 11.673 -13.939 1.00 0.00 C ATOM 698 OE1 GLU A 49 -5.998 11.163 -15.066 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.706 11.767 -13.401 1.00 0.00 O ATOM 0 H GLU A 49 -6.370 12.172 -10.918 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.197 9.985 -10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.178 10.419 -13.390 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.879 11.604 -12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.623 12.830 -13.893 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.698 12.878 -12.405 1.00 0.00 H new ATOM 706 N LYS A 50 -5.219 9.394 -12.036 1.00 0.00 N ATOM 707 CA LYS A 50 -4.329 8.322 -12.470 1.00 0.00 C ATOM 708 C LYS A 50 -4.020 7.379 -11.314 1.00 0.00 C ATOM 709 O LYS A 50 -3.638 6.227 -11.518 1.00 0.00 O ATOM 710 CB LYS A 50 -3.031 8.894 -13.042 1.00 0.00 C ATOM 711 CG LYS A 50 -2.074 9.420 -11.986 1.00 0.00 C ATOM 712 CD LYS A 50 -0.862 10.085 -12.605 1.00 0.00 C ATOM 713 CE LYS A 50 -1.231 11.396 -13.274 1.00 0.00 C ATOM 714 NZ LYS A 50 -0.034 12.091 -13.807 1.00 0.00 N ATOM 0 H LYS A 50 -4.761 10.294 -11.894 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.836 7.759 -13.254 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.528 8.120 -13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.274 9.701 -13.733 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.594 10.134 -11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.751 8.598 -11.347 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.112 10.266 -11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.412 9.415 -13.338 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.934 11.206 -14.085 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.738 12.041 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.322 12.983 -14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.625 12.293 -13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.436 11.485 -14.509 1.00 0.00 H new ATOM 728 N ALA A 51 -4.191 7.877 -10.094 1.00 0.00 N ATOM 729 CA ALA A 51 -3.980 7.069 -8.905 1.00 0.00 C ATOM 730 C ALA A 51 -5.098 6.041 -8.751 1.00 0.00 C ATOM 731 O ALA A 51 -5.008 5.123 -7.935 1.00 0.00 O ATOM 732 CB ALA A 51 -3.892 7.960 -7.674 1.00 0.00 C ATOM 0 H ALA A 51 -4.476 8.838 -9.906 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.038 6.531 -9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.734 7.343 -6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.059 8.654 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.820 8.521 -7.564 1.00 0.00 H new ATOM 738 N GLY A 52 -6.144 6.205 -9.551 1.00 0.00 N ATOM 739 CA GLY A 52 -7.268 5.288 -9.509 1.00 0.00 C ATOM 740 C GLY A 52 -8.406 5.806 -8.655 1.00 0.00 C ATOM 741 O GLY A 52 -9.431 5.141 -8.503 1.00 0.00 O ATOM 0 H GLY A 52 -6.234 6.960 -10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.629 5.114 -10.523 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.934 4.326 -9.120 1.00 0.00 H new ATOM 745 N LEU A 53 -8.217 6.993 -8.095 1.00 0.00 N ATOM 746 CA LEU A 53 -9.218 7.624 -7.248 1.00 0.00 C ATOM 747 C LEU A 53 -10.416 8.076 -8.077 1.00 0.00 C ATOM 748 O LEU A 53 -10.256 8.753 -9.095 1.00 0.00 O ATOM 749 CB LEU A 53 -8.598 8.821 -6.538 1.00 0.00 C ATOM 750 CG LEU A 53 -9.494 9.504 -5.512 1.00 0.00 C ATOM 751 CD1 LEU A 53 -9.660 8.633 -4.283 1.00 0.00 C ATOM 752 CD2 LEU A 53 -8.917 10.853 -5.140 1.00 0.00 C ATOM 0 H LEU A 53 -7.367 7.544 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.564 6.899 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.686 8.494 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.306 9.556 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.480 9.655 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.303 9.139 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.112 7.683 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.685 8.450 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.563 11.335 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.922 10.719 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.850 11.478 -6.030 1.00 0.00 H new ATOM 764 N LEU A 54 -11.610 7.705 -7.644 1.00 0.00 N ATOM 765 CA LEU A 54 -12.823 8.078 -8.352 1.00 0.00 C ATOM 766 C LEU A 54 -13.618 9.098 -7.546 1.00 0.00 C ATOM 767 O LEU A 54 -13.428 9.238 -6.336 1.00 0.00 O ATOM 768 CB LEU A 54 -13.683 6.841 -8.630 1.00 0.00 C ATOM 769 CG LEU A 54 -13.053 5.803 -9.560 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.979 4.609 -9.726 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.734 6.420 -10.912 1.00 0.00 C ATOM 0 H LEU A 54 -11.765 7.146 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.540 8.528 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.916 6.360 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.629 7.166 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.121 5.459 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.516 3.879 -10.391 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.160 4.151 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.926 4.939 -10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.287 5.666 -11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.652 6.792 -11.368 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.035 7.246 -10.779 1.00 0.00 H new ATOM 783 N ALA A 55 -14.511 9.808 -8.222 1.00 0.00 N ATOM 784 CA ALA A 55 -15.325 10.838 -7.584 1.00 0.00 C ATOM 785 C ALA A 55 -16.521 10.225 -6.858 1.00 0.00 C ATOM 786 O ALA A 55 -17.665 10.650 -7.040 1.00 0.00 O ATOM 787 CB ALA A 55 -15.789 11.851 -8.617 1.00 0.00 C ATOM 0 H ALA A 55 -14.692 9.689 -9.219 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.711 11.347 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.395 12.615 -8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.922 12.319 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.383 11.347 -9.379 1.00 0.00 H new ATOM 793 N GLY A 56 -16.244 9.224 -6.040 1.00 0.00 N ATOM 794 CA GLY A 56 -17.284 8.568 -5.279 1.00 0.00 C ATOM 795 C GLY A 56 -16.717 7.525 -4.340 1.00 0.00 C ATOM 796 O GLY A 56 -17.323 6.478 -4.124 1.00 0.00 O ATOM 0 H GLY A 56 -15.307 8.851 -5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.839 9.311 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.992 8.097 -5.961 1.00 0.00 H new ATOM 800 N ASP A 57 -15.548 7.815 -3.790 1.00 0.00 N ATOM 801 CA ASP A 57 -14.860 6.885 -2.904 1.00 0.00 C ATOM 802 C ASP A 57 -14.915 7.349 -1.456 1.00 0.00 C ATOM 803 O ASP A 57 -14.948 8.552 -1.178 1.00 0.00 O ATOM 804 CB ASP A 57 -13.391 6.738 -3.316 1.00 0.00 C ATOM 805 CG ASP A 57 -13.175 5.728 -4.424 1.00 0.00 C ATOM 806 OD1 ASP A 57 -13.103 4.521 -4.123 1.00 0.00 O ATOM 807 OD2 ASP A 57 -13.052 6.135 -5.594 1.00 0.00 O ATOM 0 H ASP A 57 -15.052 8.693 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.370 5.925 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.013 7.708 -3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.805 6.442 -2.446 1.00 0.00 H new ATOM 812 N ARG A 58 -14.931 6.392 -0.538 1.00 0.00 N ATOM 813 CA ARG A 58 -14.746 6.683 0.878 1.00 0.00 C ATOM 814 C ARG A 58 -13.325 6.315 1.280 1.00 0.00 C ATOM 815 O ARG A 58 -12.831 5.242 0.929 1.00 0.00 O ATOM 816 CB ARG A 58 -15.774 5.951 1.757 1.00 0.00 C ATOM 817 CG ARG A 58 -16.044 4.512 1.341 1.00 0.00 C ATOM 818 CD ARG A 58 -16.880 3.764 2.372 1.00 0.00 C ATOM 819 NE ARG A 58 -18.069 4.508 2.792 1.00 0.00 N ATOM 820 CZ ARG A 58 -19.091 3.963 3.458 1.00 0.00 C ATOM 821 NH1 ARG A 58 -19.072 2.670 3.771 1.00 0.00 N ATOM 822 NH2 ARG A 58 -20.121 4.715 3.831 1.00 0.00 N ATOM 0 H ARG A 58 -15.071 5.404 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.907 7.749 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.423 5.959 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -16.712 6.505 1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.560 4.504 0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.096 3.993 1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.187 2.804 1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.264 3.551 3.246 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.120 5.501 2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.276 2.092 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.854 2.257 4.280 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -20.133 5.710 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.900 4.297 4.339 1.00 0.00 H new ATOM 836 N LEU A 59 -12.667 7.214 1.995 1.00 0.00 N ATOM 837 CA LEU A 59 -11.257 7.052 2.319 1.00 0.00 C ATOM 838 C LEU A 59 -11.079 6.211 3.580 1.00 0.00 C ATOM 839 O LEU A 59 -11.706 6.471 4.604 1.00 0.00 O ATOM 840 CB LEU A 59 -10.606 8.424 2.495 1.00 0.00 C ATOM 841 CG LEU A 59 -9.092 8.410 2.684 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.411 7.704 1.524 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.571 9.827 2.811 1.00 0.00 C ATOM 0 H LEU A 59 -13.088 8.067 2.364 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.770 6.528 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.841 9.033 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.058 8.914 3.357 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.864 7.864 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.332 7.706 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.767 6.676 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.644 8.223 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.490 9.806 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.814 10.386 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.035 10.309 3.672 1.00 0.00 H new ATOM 855 N VAL A 60 -10.223 5.202 3.488 1.00 0.00 N ATOM 856 CA VAL A 60 -10.002 4.276 4.589 1.00 0.00 C ATOM 857 C VAL A 60 -8.723 4.608 5.361 1.00 0.00 C ATOM 858 O VAL A 60 -8.740 4.697 6.587 1.00 0.00 O ATOM 859 CB VAL A 60 -9.923 2.826 4.076 1.00 0.00 C ATOM 860 CG1 VAL A 60 -9.715 1.853 5.226 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.171 2.471 3.282 1.00 0.00 C ATOM 0 H VAL A 60 -9.667 5.004 2.656 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.851 4.378 5.265 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.063 2.746 3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.663 0.836 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.785 2.093 5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.548 1.932 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.097 1.443 2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.049 2.573 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.263 3.143 2.429 1.00 0.00 H new ATOM 871 N GLU A 61 -7.619 4.798 4.649 1.00 0.00 N ATOM 872 CA GLU A 61 -6.347 5.098 5.304 1.00 0.00 C ATOM 873 C GLU A 61 -5.649 6.272 4.635 1.00 0.00 C ATOM 874 O GLU A 61 -5.923 6.598 3.478 1.00 0.00 O ATOM 875 CB GLU A 61 -5.399 3.888 5.273 1.00 0.00 C ATOM 876 CG GLU A 61 -4.847 3.584 3.886 1.00 0.00 C ATOM 877 CD GLU A 61 -3.390 3.152 3.898 1.00 0.00 C ATOM 878 OE1 GLU A 61 -3.119 1.952 4.098 1.00 0.00 O ATOM 879 OE2 GLU A 61 -2.509 4.014 3.689 1.00 0.00 O ATOM 0 H GLU A 61 -7.575 4.751 3.631 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.581 5.349 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.568 4.070 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.929 3.011 5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.448 2.798 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.951 4.470 3.260 1.00 0.00 H new ATOM 886 N VAL A 62 -4.748 6.896 5.381 1.00 0.00 N ATOM 887 CA VAL A 62 -3.905 7.956 4.855 1.00 0.00 C ATOM 888 C VAL A 62 -2.453 7.703 5.238 1.00 0.00 C ATOM 889 O VAL A 62 -2.087 7.760 6.413 1.00 0.00 O ATOM 890 CB VAL A 62 -4.331 9.353 5.364 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.316 10.411 4.953 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.707 9.720 4.837 1.00 0.00 C ATOM 0 H VAL A 62 -4.583 6.681 6.364 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.018 7.947 3.771 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.372 9.315 6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.636 11.385 5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.342 10.165 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.242 10.441 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.987 10.706 5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.688 9.733 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.435 8.984 5.178 1.00 0.00 H new ATOM 902 N ASN A 63 -1.648 7.399 4.231 1.00 0.00 N ATOM 903 CA ASN A 63 -0.206 7.211 4.389 1.00 0.00 C ATOM 904 C ASN A 63 0.107 6.135 5.436 1.00 0.00 C ATOM 905 O ASN A 63 0.927 6.343 6.330 1.00 0.00 O ATOM 906 CB ASN A 63 0.473 8.539 4.764 1.00 0.00 C ATOM 907 CG ASN A 63 1.957 8.561 4.423 1.00 0.00 C ATOM 908 OD1 ASN A 63 2.287 9.069 3.242 1.00 0.00 O flip ATOM 909 ND2 ASN A 63 2.802 8.153 5.216 1.00 0.00 N flip ATOM 0 H ASN A 63 -1.975 7.274 3.273 1.00 0.00 H new ATOM 0 HA ASN A 63 0.192 6.872 3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.027 9.356 4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.348 8.717 5.832 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.514 7.768 6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.792 8.199 4.975 1.00 0.00 H new ATOM 916 N GLY A 64 -0.564 4.995 5.338 1.00 0.00 N ATOM 917 CA GLY A 64 -0.213 3.867 6.179 1.00 0.00 C ATOM 918 C GLY A 64 -1.184 3.621 7.316 1.00 0.00 C ATOM 919 O GLY A 64 -1.359 2.479 7.746 1.00 0.00 O ATOM 0 H GLY A 64 -1.340 4.831 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.157 2.970 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.782 4.031 6.593 1.00 0.00 H new ATOM 923 N GLU A 65 -1.819 4.673 7.811 1.00 0.00 N ATOM 924 CA GLU A 65 -2.666 4.548 8.988 1.00 0.00 C ATOM 925 C GLU A 65 -4.140 4.745 8.648 1.00 0.00 C ATOM 926 O GLU A 65 -4.502 5.616 7.853 1.00 0.00 O ATOM 927 CB GLU A 65 -2.232 5.543 10.068 1.00 0.00 C ATOM 928 CG GLU A 65 -2.275 6.997 9.626 1.00 0.00 C ATOM 929 CD GLU A 65 -1.827 7.944 10.717 1.00 0.00 C ATOM 930 OE1 GLU A 65 -2.588 8.145 11.683 1.00 0.00 O ATOM 931 OE2 GLU A 65 -0.709 8.495 10.610 1.00 0.00 O ATOM 0 H GLU A 65 -1.765 5.614 7.421 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.548 3.534 9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.875 5.420 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.217 5.300 10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.638 7.127 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.290 7.252 9.322 1.00 0.00 H new ATOM 938 N ASN A 66 -4.977 3.913 9.253 1.00 0.00 N ATOM 939 CA ASN A 66 -6.424 3.979 9.079 1.00 0.00 C ATOM 940 C ASN A 66 -6.973 5.299 9.606 1.00 0.00 C ATOM 941 O ASN A 66 -6.580 5.750 10.685 1.00 0.00 O ATOM 942 CB ASN A 66 -7.084 2.810 9.813 1.00 0.00 C ATOM 943 CG ASN A 66 -8.596 2.834 9.713 1.00 0.00 C ATOM 944 OD1 ASN A 66 -9.170 2.276 8.782 1.00 0.00 O ATOM 945 ND2 ASN A 66 -9.250 3.463 10.680 1.00 0.00 N ATOM 0 H ASN A 66 -4.671 3.170 9.881 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.649 3.915 8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.712 1.872 9.402 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.793 2.835 10.863 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.269 3.496 10.668 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.734 3.914 11.435 1.00 0.00 H new ATOM 952 N VAL A 67 -7.877 5.917 8.850 1.00 0.00 N ATOM 953 CA VAL A 67 -8.420 7.219 9.221 1.00 0.00 C ATOM 954 C VAL A 67 -9.935 7.296 9.032 1.00 0.00 C ATOM 955 O VAL A 67 -10.504 8.385 9.064 1.00 0.00 O ATOM 956 CB VAL A 67 -7.782 8.359 8.395 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.278 8.425 8.618 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.101 8.193 6.914 1.00 0.00 C ATOM 0 H VAL A 67 -8.248 5.537 7.979 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.181 7.340 10.278 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.211 9.301 8.736 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.857 9.236 8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.074 8.605 9.674 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.824 7.481 8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.643 9.005 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.707 7.240 6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.181 8.215 6.770 1.00 0.00 H new ATOM 968 N GLU A 68 -10.598 6.156 8.866 1.00 0.00 N ATOM 969 CA GLU A 68 -12.036 6.169 8.584 1.00 0.00 C ATOM 970 C GLU A 68 -12.879 6.398 9.843 1.00 0.00 C ATOM 971 O GLU A 68 -14.089 6.179 9.839 1.00 0.00 O ATOM 972 CB GLU A 68 -12.484 4.911 7.823 1.00 0.00 C ATOM 973 CG GLU A 68 -11.849 3.609 8.283 1.00 0.00 C ATOM 974 CD GLU A 68 -12.358 3.117 9.620 1.00 0.00 C ATOM 975 OE1 GLU A 68 -11.879 3.603 10.657 1.00 0.00 O ATOM 976 OE2 GLU A 68 -13.222 2.215 9.639 1.00 0.00 O ATOM 0 H GLU A 68 -10.177 5.228 8.919 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.212 7.023 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.566 4.819 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.263 5.049 6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.032 2.841 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.769 3.745 8.344 1.00 0.00 H new ATOM 983 N LYS A 69 -12.233 6.837 10.920 1.00 0.00 N ATOM 984 CA LYS A 69 -12.950 7.311 12.100 1.00 0.00 C ATOM 985 C LYS A 69 -12.563 8.755 12.401 1.00 0.00 C ATOM 986 O LYS A 69 -13.073 9.363 13.348 1.00 0.00 O ATOM 987 CB LYS A 69 -12.658 6.453 13.338 1.00 0.00 C ATOM 988 CG LYS A 69 -12.955 4.971 13.175 1.00 0.00 C ATOM 989 CD LYS A 69 -14.403 4.728 12.794 1.00 0.00 C ATOM 990 CE LYS A 69 -14.783 3.262 12.935 1.00 0.00 C ATOM 991 NZ LYS A 69 -13.828 2.358 12.243 1.00 0.00 N ATOM 0 H LYS A 69 -11.217 6.874 11.000 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.015 7.239 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.608 6.571 13.604 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.243 6.836 14.174 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.302 4.551 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.731 4.450 14.106 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.052 5.335 13.425 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.568 5.049 11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.825 3.001 13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.783 3.108 12.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.928 1.394 12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.031 2.354 11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.856 2.693 12.401 1.00 0.00 H new ATOM 1005 N GLU A 70 -11.649 9.297 11.605 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.176 10.659 11.798 1.00 0.00 C ATOM 1007 C GLU A 70 -12.204 11.655 11.290 1.00 0.00 C ATOM 1008 O GLU A 70 -13.042 11.322 10.446 1.00 0.00 O ATOM 1009 CB GLU A 70 -9.853 10.868 11.065 1.00 0.00 C ATOM 1010 CG GLU A 70 -8.733 9.973 11.556 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.356 10.256 12.992 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -7.646 11.251 13.236 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -8.771 9.487 13.884 1.00 0.00 O ATOM 0 H GLU A 70 -11.220 8.811 10.818 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.023 10.821 12.865 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.006 10.691 10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.548 11.909 11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.037 8.931 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.858 10.109 10.920 1.00 0.00 H new ATOM 1020 N THR A 71 -12.133 12.876 11.801 1.00 0.00 N ATOM 1021 CA THR A 71 -13.052 13.917 11.389 1.00 0.00 C ATOM 1022 C THR A 71 -12.757 14.347 9.962 1.00 0.00 C ATOM 1023 O THR A 71 -11.711 13.991 9.404 1.00 0.00 O ATOM 1024 CB THR A 71 -12.976 15.154 12.310 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.715 15.815 12.147 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.149 14.761 13.770 1.00 0.00 C ATOM 0 H THR A 71 -11.449 13.166 12.500 1.00 0.00 H new ATOM 0 HA THR A 71 -14.056 13.499 11.456 1.00 0.00 H new ATOM 0 HB THR A 71 -13.785 15.829 12.029 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.646 16.551 12.791 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.091 15.652 14.396 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.120 14.284 13.906 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.360 14.065 14.055 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.657 15.116 9.377 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.460 15.631 8.035 1.00 0.00 C ATOM 1036 C HIS A 72 -12.148 16.410 7.969 1.00 0.00 C ATOM 1037 O HIS A 72 -11.371 16.265 7.025 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.647 16.519 7.643 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.508 17.195 6.314 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.839 16.589 5.124 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -14.066 18.434 5.995 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -14.609 17.428 4.129 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -14.142 18.553 4.632 1.00 0.00 N ATOM 0 H HIS A 72 -14.535 15.398 9.813 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.403 14.803 7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.551 15.911 7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.783 17.281 8.411 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -15.204 15.642 5.025 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.718 19.188 6.686 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.776 17.226 3.081 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.904 17.213 8.997 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.704 18.023 9.075 1.00 0.00 C ATOM 1054 C GLN A 73 -9.451 17.173 9.239 1.00 0.00 C ATOM 1055 O GLN A 73 -8.469 17.366 8.526 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.823 18.997 10.238 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.910 20.032 10.040 1.00 0.00 C ATOM 1058 CD GLN A 73 -12.067 20.966 11.228 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -11.778 20.474 12.424 1.00 0.00 O flip ATOM 1060 NE2 GLN A 73 -12.452 22.124 11.072 1.00 0.00 N flip ATOM 0 H GLN A 73 -12.531 17.318 9.794 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.609 18.570 8.137 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.024 18.438 11.152 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.868 19.504 10.378 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.686 20.620 9.150 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.857 19.525 9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.665 22.469 10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.558 22.739 11.879 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.499 16.219 10.168 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.336 15.394 10.478 1.00 0.00 C ATOM 1071 C GLN A 74 -7.857 14.638 9.248 1.00 0.00 C ATOM 1072 O GLN A 74 -6.670 14.641 8.937 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.645 14.407 11.608 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.863 15.062 12.964 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.713 15.962 13.374 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.743 15.511 13.979 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.824 17.244 13.061 1.00 0.00 N ATOM 0 H GLN A 74 -10.330 16.000 10.717 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.541 16.063 10.807 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.536 13.837 11.344 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.824 13.695 11.688 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.783 15.646 12.937 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.999 14.287 13.719 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.646 17.577 12.558 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.087 17.899 13.323 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.791 14.016 8.542 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.462 13.239 7.356 1.00 0.00 C ATOM 1088 C VAL A 75 -7.790 14.108 6.294 1.00 0.00 C ATOM 1089 O VAL A 75 -6.740 13.746 5.763 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.717 12.567 6.761 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.378 11.799 5.500 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.349 11.638 7.779 1.00 0.00 C ATOM 0 H VAL A 75 -9.785 14.035 8.771 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.763 12.462 7.666 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.428 13.352 6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.281 11.336 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.964 12.482 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.645 11.026 5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.233 11.171 7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.633 10.867 8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.636 12.208 8.663 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.381 15.264 6.012 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.845 16.158 4.992 1.00 0.00 C ATOM 1104 C VAL A 76 -6.486 16.707 5.417 1.00 0.00 C ATOM 1105 O VAL A 76 -5.554 16.782 4.610 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.805 17.331 4.688 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -8.183 18.284 3.678 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.140 16.813 4.173 1.00 0.00 C ATOM 0 H VAL A 76 -9.226 15.603 6.472 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.731 15.569 4.082 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.981 17.876 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.874 19.103 3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.253 18.685 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.976 17.748 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.801 17.654 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.980 16.242 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.596 16.171 4.926 1.00 0.00 H new ATOM 1118 N SER A 77 -6.378 17.081 6.688 1.00 0.00 N ATOM 1119 CA SER A 77 -5.127 17.589 7.235 1.00 0.00 C ATOM 1120 C SER A 77 -3.998 16.569 7.054 1.00 0.00 C ATOM 1121 O SER A 77 -2.883 16.930 6.680 1.00 0.00 O ATOM 1122 CB SER A 77 -5.306 17.934 8.718 1.00 0.00 C ATOM 1123 OG SER A 77 -4.172 18.604 9.240 1.00 0.00 O ATOM 0 H SER A 77 -7.145 17.041 7.359 1.00 0.00 H new ATOM 0 HA SER A 77 -4.853 18.494 6.692 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.189 18.562 8.842 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.482 17.020 9.286 1.00 0.00 H new ATOM 0 HG SER A 77 -4.321 18.810 10.186 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.305 15.296 7.299 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.312 14.230 7.179 1.00 0.00 C ATOM 1131 C ARG A 78 -2.820 14.085 5.740 1.00 0.00 C ATOM 1132 O ARG A 78 -1.627 13.904 5.503 1.00 0.00 O ATOM 1133 CB ARG A 78 -3.884 12.896 7.660 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.275 12.888 9.126 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.761 11.516 9.556 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.235 11.497 10.942 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.456 11.228 11.989 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -3.158 11.012 11.821 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -4.974 11.177 13.206 1.00 0.00 N ATOM 0 H ARG A 78 -5.232 14.978 7.581 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.466 14.505 7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.759 12.649 7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.147 12.112 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.420 13.181 9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.058 13.626 9.300 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.567 11.196 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.951 10.795 9.443 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.219 11.702 11.116 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.751 11.051 10.886 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.567 10.807 12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.971 11.344 13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.376 10.971 14.006 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.742 14.167 4.785 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.391 14.049 3.371 1.00 0.00 C ATOM 1155 C ILE A 79 -2.478 15.198 2.950 1.00 0.00 C ATOM 1156 O ILE A 79 -1.460 14.991 2.294 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.645 14.049 2.467 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.646 12.991 2.935 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.251 13.804 1.014 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -6.958 13.025 2.183 1.00 0.00 C ATOM 0 H ILE A 79 -4.736 14.314 4.963 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.873 13.098 3.249 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.121 15.027 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.198 12.004 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.842 13.133 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.144 13.807 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.574 14.592 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.753 12.838 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.618 12.248 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.428 13.999 2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.774 12.852 1.123 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.849 16.408 3.357 1.00 0.00 N ATOM 1173 CA ARG A 80 -2.084 17.612 3.034 1.00 0.00 C ATOM 1174 C ARG A 80 -0.693 17.582 3.664 1.00 0.00 C ATOM 1175 O ARG A 80 0.230 18.250 3.189 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.843 18.860 3.492 1.00 0.00 C ATOM 1177 CG ARG A 80 -4.032 19.204 2.607 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.864 20.334 3.195 1.00 0.00 C ATOM 1179 NE ARG A 80 -4.051 21.500 3.543 1.00 0.00 N ATOM 1180 CZ ARG A 80 -4.534 22.603 4.116 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -5.837 22.740 4.316 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -3.709 23.579 4.464 1.00 0.00 N ATOM 0 H ARG A 80 -3.683 16.583 3.917 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.959 17.644 1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.192 18.709 4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.157 19.707 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.678 19.490 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.657 18.321 2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.630 20.629 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.381 19.976 4.085 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.053 21.467 3.334 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.477 21.999 4.031 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.199 23.586 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.708 23.486 4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.075 24.424 4.902 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.554 16.818 4.741 1.00 0.00 N ATOM 1197 CA ALA A 81 0.703 16.733 5.475 1.00 0.00 C ATOM 1198 C ALA A 81 1.777 15.970 4.699 1.00 0.00 C ATOM 1199 O ALA A 81 2.954 16.018 5.059 1.00 0.00 O ATOM 1200 CB ALA A 81 0.476 16.085 6.834 1.00 0.00 C ATOM 0 H ALA A 81 -1.303 16.244 5.128 1.00 0.00 H new ATOM 0 HA ALA A 81 1.066 17.751 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.422 16.027 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.232 16.682 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.075 15.081 6.696 1.00 0.00 H new ATOM 1206 N ALA A 82 1.381 15.265 3.643 1.00 0.00 N ATOM 1207 CA ALA A 82 2.332 14.533 2.819 1.00 0.00 C ATOM 1208 C ALA A 82 3.220 15.494 2.029 1.00 0.00 C ATOM 1209 O ALA A 82 2.759 16.522 1.525 1.00 0.00 O ATOM 1210 CB ALA A 82 1.597 13.592 1.882 1.00 0.00 C ATOM 0 H ALA A 82 0.410 15.186 3.340 1.00 0.00 H new ATOM 0 HA ALA A 82 2.973 13.943 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.319 13.050 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.010 12.882 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.933 14.167 1.236 1.00 0.00 H new ATOM 1216 N LEU A 83 4.496 15.145 1.930 1.00 0.00 N ATOM 1217 CA LEU A 83 5.488 16.003 1.295 1.00 0.00 C ATOM 1218 C LEU A 83 5.453 15.851 -0.220 1.00 0.00 C ATOM 1219 O LEU A 83 5.738 16.796 -0.958 1.00 0.00 O ATOM 1220 CB LEU A 83 6.883 15.675 1.826 1.00 0.00 C ATOM 1221 CG LEU A 83 7.059 15.863 3.335 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.454 15.447 3.764 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.795 17.307 3.727 1.00 0.00 C ATOM 0 H LEU A 83 4.871 14.265 2.285 1.00 0.00 H new ATOM 0 HA LEU A 83 5.248 17.038 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.118 14.641 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.609 16.302 1.309 1.00 0.00 H new ATOM 0 HG LEU A 83 6.335 15.228 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.561 15.587 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.612 14.397 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.192 16.057 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.925 17.421 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.495 17.959 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.775 17.578 3.454 1.00 0.00 H new ATOM 1235 N ASN A 84 5.111 14.660 -0.682 1.00 0.00 N ATOM 1236 CA ASN A 84 4.940 14.423 -2.107 1.00 0.00 C ATOM 1237 C ASN A 84 3.872 13.371 -2.344 1.00 0.00 C ATOM 1238 O ASN A 84 2.809 13.668 -2.878 1.00 0.00 O ATOM 1239 CB ASN A 84 6.247 13.982 -2.770 1.00 0.00 C ATOM 1240 CG ASN A 84 6.076 13.761 -4.265 1.00 0.00 C ATOM 1241 OD1 ASN A 84 5.305 14.460 -4.925 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.781 12.783 -4.804 1.00 0.00 N ATOM 0 H ASN A 84 4.946 13.843 -0.093 1.00 0.00 H new ATOM 0 HA ASN A 84 4.631 15.367 -2.557 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.014 14.738 -2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.598 13.061 -2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.698 12.584 -5.801 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.409 12.227 -4.223 1.00 0.00 H new ATOM 1249 N ALA A 85 4.140 12.152 -1.908 1.00 0.00 N ATOM 1250 CA ALA A 85 3.240 11.047 -2.173 1.00 0.00 C ATOM 1251 C ALA A 85 2.587 10.556 -0.890 1.00 0.00 C ATOM 1252 O ALA A 85 3.209 10.521 0.173 1.00 0.00 O ATOM 1253 CB ALA A 85 3.980 9.908 -2.860 1.00 0.00 C ATOM 0 H ALA A 85 4.971 11.905 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 85 2.455 11.405 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.288 9.088 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.394 10.261 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.788 9.559 -2.217 1.00 0.00 H new ATOM 1259 N VAL A 86 1.323 10.199 -1.002 1.00 0.00 N ATOM 1260 CA VAL A 86 0.553 9.728 0.130 1.00 0.00 C ATOM 1261 C VAL A 86 -0.277 8.515 -0.280 1.00 0.00 C ATOM 1262 O VAL A 86 -0.721 8.419 -1.426 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.366 10.851 0.683 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.312 11.365 -0.390 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.145 10.381 1.903 1.00 0.00 C ATOM 0 H VAL A 86 0.802 10.227 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 86 1.243 9.438 0.923 1.00 0.00 H new ATOM 0 HB VAL A 86 0.278 11.674 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.943 12.150 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.734 11.767 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.938 10.547 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.778 11.191 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.767 9.528 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.449 10.087 2.688 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.461 7.583 0.645 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.284 6.411 0.389 1.00 0.00 C ATOM 1277 C ARG A 87 -2.719 6.710 0.760 1.00 0.00 C ATOM 1278 O ARG A 87 -3.014 7.006 1.914 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.819 5.211 1.212 1.00 0.00 C ATOM 1280 CG ARG A 87 0.526 4.645 0.809 1.00 0.00 C ATOM 1281 CD ARG A 87 1.120 3.813 1.934 1.00 0.00 C ATOM 1282 NE ARG A 87 0.117 2.991 2.622 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.418 1.982 3.441 1.00 0.00 C ATOM 1284 NH1 ARG A 87 1.686 1.655 3.660 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -0.547 1.314 4.059 1.00 0.00 N ATOM 0 H ARG A 87 -0.051 7.616 1.579 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.197 6.171 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.774 5.504 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.567 4.422 1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.414 4.030 -0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.206 5.458 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.898 3.166 1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.599 4.475 2.656 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.868 3.204 2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.434 2.176 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.913 0.883 4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.522 1.571 3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.314 0.543 4.685 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.598 6.666 -0.214 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.007 6.839 0.050 1.00 0.00 C ATOM 1301 C LEU A 88 -5.757 5.579 -0.340 1.00 0.00 C ATOM 1302 O LEU A 88 -5.955 5.309 -1.520 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.548 8.043 -0.724 1.00 0.00 C ATOM 1304 CG LEU A 88 -4.870 9.378 -0.406 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.450 10.490 -1.263 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -5.017 9.712 1.073 1.00 0.00 C ATOM 0 H LEU A 88 -3.363 6.512 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.151 7.023 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.444 7.846 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.615 8.137 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.808 9.287 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.955 11.431 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.293 10.257 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.518 10.581 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.529 10.664 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.075 9.783 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.552 8.928 1.671 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.164 4.802 0.645 1.00 0.00 N ATOM 1319 CA LEU A 89 -6.924 3.597 0.368 1.00 0.00 C ATOM 1320 C LEU A 89 -8.385 3.961 0.258 1.00 0.00 C ATOM 1321 O LEU A 89 -8.964 4.526 1.184 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.737 2.543 1.456 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.535 1.253 1.243 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.938 0.422 0.121 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.600 0.446 2.522 1.00 0.00 C ATOM 0 H LEU A 89 -5.984 4.980 1.633 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.562 3.169 -0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.678 2.292 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.022 2.976 2.415 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.550 1.530 0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.524 -0.488 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.951 0.997 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.910 0.159 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.171 -0.466 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.590 0.187 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.085 1.035 3.300 1.00 0.00 H new ATOM 1337 N VAL A 90 -8.972 3.641 -0.870 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.319 4.077 -1.161 1.00 0.00 C ATOM 1339 C VAL A 90 -11.174 2.921 -1.637 1.00 0.00 C ATOM 1340 O VAL A 90 -10.670 1.942 -2.194 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.335 5.207 -2.214 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.767 6.484 -1.623 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.564 4.806 -3.467 1.00 0.00 C ATOM 0 H VAL A 90 -8.539 3.080 -1.603 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.736 4.467 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.370 5.385 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.784 7.272 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.369 6.787 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.740 6.311 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.594 5.622 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.528 4.592 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.018 3.917 -3.905 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.460 3.032 -1.387 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.412 2.031 -1.808 1.00 0.00 C ATOM 1355 C VAL A 91 -14.756 2.690 -2.092 1.00 0.00 C ATOM 1356 O VAL A 91 -15.183 3.592 -1.366 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.560 0.918 -0.741 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.061 1.476 0.582 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.470 -0.197 -1.231 1.00 0.00 C ATOM 0 H VAL A 91 -12.874 3.818 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.046 1.563 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.568 0.498 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.153 0.667 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.355 2.218 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.035 1.943 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.554 -0.963 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.458 0.209 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.051 -0.637 -2.136 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.393 2.278 -3.174 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.740 2.731 -3.483 1.00 0.00 C ATOM 1371 C ASP A 92 -17.670 2.230 -2.392 1.00 0.00 C ATOM 1372 O ASP A 92 -17.553 1.089 -1.966 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.207 2.165 -4.828 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.142 2.208 -5.899 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -15.317 1.265 -5.952 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.127 3.167 -6.698 1.00 0.00 O ATOM 0 H ASP A 92 -14.999 1.629 -3.855 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.750 3.819 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.529 1.133 -4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.077 2.727 -5.168 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.599 3.065 -1.908 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.545 2.662 -0.866 1.00 0.00 C ATOM 1383 C PRO A 93 -20.445 1.518 -1.331 1.00 0.00 C ATOM 1384 O PRO A 93 -20.963 0.749 -0.518 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.359 3.930 -0.586 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.558 5.046 -1.170 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.802 4.458 -2.325 1.00 0.00 C ATOM 0 HA PRO A 93 -19.040 2.284 0.023 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.347 3.873 -1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.511 4.072 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.205 5.858 -1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.875 5.464 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.368 4.523 -3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.855 4.972 -2.492 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.632 1.421 -2.644 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.321 0.285 -3.243 1.00 0.00 C ATOM 1397 C GLU A 94 -20.424 -0.952 -3.209 1.00 0.00 C ATOM 1398 O GLU A 94 -20.881 -2.058 -2.927 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.729 0.613 -4.677 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.703 1.776 -4.769 1.00 0.00 C ATOM 1401 CD GLU A 94 -22.948 2.222 -6.192 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -23.822 1.634 -6.863 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -22.266 3.166 -6.649 1.00 0.00 O ATOM 0 H GLU A 94 -20.314 2.120 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.222 0.075 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.837 0.847 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.182 -0.269 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.651 1.487 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.316 2.615 -4.191 1.00 0.00 H new ATOM 1410 N THR A 95 -19.142 -0.746 -3.493 1.00 0.00 N ATOM 1411 CA THR A 95 -18.143 -1.806 -3.403 1.00 0.00 C ATOM 1412 C THR A 95 -17.997 -2.274 -1.954 1.00 0.00 C ATOM 1413 O THR A 95 -17.860 -3.466 -1.678 1.00 0.00 O ATOM 1414 CB THR A 95 -16.782 -1.307 -3.935 1.00 0.00 C ATOM 1415 OG1 THR A 95 -16.907 -0.913 -5.306 1.00 0.00 O ATOM 1416 CG2 THR A 95 -15.706 -2.372 -3.808 1.00 0.00 C ATOM 0 H THR A 95 -18.767 0.155 -3.790 1.00 0.00 H new ATOM 0 HA THR A 95 -18.473 -2.646 -4.014 1.00 0.00 H new ATOM 0 HB THR A 95 -16.484 -0.451 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.227 -0.239 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.763 -1.984 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.586 -2.645 -2.759 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.996 -3.253 -4.381 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.065 -1.315 -1.036 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.004 -1.583 0.398 1.00 0.00 C ATOM 1426 C ASP A 96 -19.132 -2.519 0.807 1.00 0.00 C ATOM 1427 O ASP A 96 -18.953 -3.404 1.641 1.00 0.00 O ATOM 1428 CB ASP A 96 -18.107 -0.261 1.170 1.00 0.00 C ATOM 1429 CG ASP A 96 -18.154 -0.444 2.674 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -17.083 -0.529 3.299 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -19.268 -0.469 3.238 1.00 0.00 O ATOM 0 H ASP A 96 -18.164 -0.326 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.054 -2.063 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.254 0.368 0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -19.003 0.270 0.848 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.279 -2.342 0.169 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.444 -3.174 0.422 1.00 0.00 C ATOM 1438 C GLU A 97 -21.137 -4.626 0.061 1.00 0.00 C ATOM 1439 O GLU A 97 -21.479 -5.551 0.796 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.621 -2.668 -0.404 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.939 -3.345 -0.086 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.010 -3.003 -1.095 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.411 -1.823 -1.165 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.434 -3.910 -1.839 1.00 0.00 O ATOM 0 H GLU A 97 -20.428 -1.620 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.700 -3.122 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.728 -1.595 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.397 -2.812 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.795 -4.425 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -24.269 -3.046 0.909 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.477 -4.808 -1.076 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.034 -6.126 -1.523 1.00 0.00 C ATOM 1453 C GLN A 98 -19.028 -6.710 -0.537 1.00 0.00 C ATOM 1454 O GLN A 98 -19.062 -7.901 -0.222 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.410 -6.005 -2.916 1.00 0.00 C ATOM 1456 CG GLN A 98 -18.661 -7.242 -3.391 1.00 0.00 C ATOM 1457 CD GLN A 98 -19.548 -8.455 -3.598 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -20.112 -8.649 -4.676 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -19.657 -9.292 -2.580 1.00 0.00 N ATOM 0 H GLN A 98 -20.234 -4.050 -1.714 1.00 0.00 H new ATOM 0 HA GLN A 98 -20.891 -6.798 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.199 -5.778 -3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -18.723 -5.159 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -18.154 -7.011 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.888 -7.489 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -19.174 -9.095 -1.704 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -20.224 -10.135 -2.671 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.151 -5.855 -0.037 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.109 -6.272 0.891 1.00 0.00 C ATOM 1470 C LEU A 99 -17.706 -6.738 2.215 1.00 0.00 C ATOM 1471 O LEU A 99 -17.155 -7.617 2.880 1.00 0.00 O ATOM 1472 CB LEU A 99 -16.110 -5.146 1.117 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.436 -4.624 -0.154 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.102 -4.002 0.189 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.261 -5.739 -1.183 1.00 0.00 C ATOM 0 H LEU A 99 -18.139 -4.860 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.581 -7.116 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.622 -4.318 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.339 -5.495 1.804 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.079 -3.863 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.628 -3.633 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.254 -3.174 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.460 -4.750 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.780 -5.338 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.641 -6.530 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.237 -6.145 -1.449 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.832 -6.139 2.594 1.00 0.00 N ATOM 1488 CA GLN A 100 -19.545 -6.534 3.806 1.00 0.00 C ATOM 1489 C GLN A 100 -20.020 -7.982 3.707 1.00 0.00 C ATOM 1490 O GLN A 100 -20.030 -8.706 4.704 1.00 0.00 O ATOM 1491 CB GLN A 100 -20.735 -5.608 4.059 1.00 0.00 C ATOM 1492 CG GLN A 100 -20.336 -4.157 4.266 1.00 0.00 C ATOM 1493 CD GLN A 100 -21.522 -3.242 4.504 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -22.628 -3.494 4.025 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -21.295 -2.166 5.240 1.00 0.00 N ATOM 0 H GLN A 100 -19.271 -5.377 2.078 1.00 0.00 H new ATOM 0 HA GLN A 100 -18.854 -6.451 4.645 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -21.421 -5.672 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -21.277 -5.957 4.938 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -19.657 -4.091 5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -19.786 -3.809 3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -20.363 -1.994 5.618 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -22.052 -1.509 5.429 1.00 0.00 H new ATOM 1504 N LYS A 101 -20.420 -8.400 2.504 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.807 -9.787 2.266 1.00 0.00 C ATOM 1506 C LYS A 101 -19.614 -10.723 2.427 1.00 0.00 C ATOM 1507 O LYS A 101 -19.773 -11.885 2.807 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.408 -9.966 0.867 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.884 -9.615 0.774 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.131 -8.117 0.788 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.614 -7.808 0.656 1.00 0.00 C ATOM 1512 NZ LYS A 101 -24.886 -6.348 0.601 1.00 0.00 N ATOM 0 H LYS A 101 -20.483 -7.798 1.683 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.563 -10.041 3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.853 -9.345 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.272 -11.001 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -23.297 -10.039 -0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -23.416 -10.075 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -22.748 -7.690 1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.584 -7.647 -0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -25.002 -8.281 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -25.149 -8.243 1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.871 -6.167 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.244 -5.850 1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -24.734 -6.003 -0.368 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.423 -10.217 2.136 1.00 0.00 N ATOM 1527 CA LEU A 102 -17.212 -11.014 2.260 1.00 0.00 C ATOM 1528 C LEU A 102 -16.835 -11.162 3.729 1.00 0.00 C ATOM 1529 O LEU A 102 -16.656 -12.272 4.232 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.059 -10.371 1.483 1.00 0.00 C ATOM 1531 CG LEU A 102 -16.383 -9.978 0.036 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -15.148 -9.434 -0.662 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -16.953 -11.162 -0.731 1.00 0.00 C ATOM 0 H LEU A 102 -18.271 -9.261 1.814 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.402 -12.001 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.733 -9.480 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.217 -11.064 1.474 1.00 0.00 H new ATOM 0 HG LEU A 102 -17.138 -9.192 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -15.400 -9.161 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.788 -8.553 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.369 -10.197 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -17.175 -10.860 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.225 -11.973 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -17.868 -11.503 -0.247 1.00 0.00 H new ATOM 1545 N GLY A 103 -16.710 -10.024 4.410 1.00 0.00 N ATOM 1546 CA GLY A 103 -16.503 -10.018 5.850 1.00 0.00 C ATOM 1547 C GLY A 103 -15.073 -10.308 6.275 1.00 0.00 C ATOM 1548 O GLY A 103 -14.574 -9.710 7.229 1.00 0.00 O ATOM 0 H GLY A 103 -16.749 -9.098 3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.797 -9.045 6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.162 -10.758 6.304 1.00 0.00 H new ATOM 1552 N VAL A 104 -14.412 -11.213 5.563 1.00 0.00 N ATOM 1553 CA VAL A 104 -13.088 -11.693 5.944 1.00 0.00 C ATOM 1554 C VAL A 104 -11.978 -10.673 5.610 1.00 0.00 C ATOM 1555 O VAL A 104 -11.109 -10.909 4.769 1.00 0.00 O ATOM 1556 CB VAL A 104 -12.812 -13.080 5.298 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -12.897 -13.019 3.778 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -11.476 -13.649 5.754 1.00 0.00 C ATOM 0 H VAL A 104 -14.776 -11.634 4.708 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.075 -11.811 7.027 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.594 -13.757 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.698 -14.007 3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.895 -12.695 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.159 -12.311 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.314 -14.619 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.674 -12.969 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.482 -13.767 6.838 1.00 0.00 H new ATOM 1568 N GLN A 105 -12.063 -9.522 6.284 1.00 0.00 N ATOM 1569 CA GLN A 105 -11.021 -8.484 6.301 1.00 0.00 C ATOM 1570 C GLN A 105 -10.253 -8.332 4.991 1.00 0.00 C ATOM 1571 O GLN A 105 -9.045 -8.548 4.941 1.00 0.00 O ATOM 1572 CB GLN A 105 -10.044 -8.747 7.446 1.00 0.00 C ATOM 1573 CG GLN A 105 -10.611 -8.396 8.806 1.00 0.00 C ATOM 1574 CD GLN A 105 -10.887 -6.912 8.945 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -11.969 -6.434 8.604 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -9.901 -6.172 9.427 1.00 0.00 N ATOM 0 H GLN A 105 -12.877 -9.278 6.848 1.00 0.00 H new ATOM 0 HA GLN A 105 -11.547 -7.541 6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.760 -9.799 7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.134 -8.170 7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.534 -8.952 8.968 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.911 -8.708 9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.020 -6.610 9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.022 -5.164 9.528 1.00 0.00 H new ATOM 1585 N VAL A 106 -10.957 -7.955 3.937 1.00 0.00 N ATOM 1586 CA VAL A 106 -10.306 -7.619 2.676 1.00 0.00 C ATOM 1587 C VAL A 106 -9.806 -6.179 2.677 1.00 0.00 C ATOM 1588 O VAL A 106 -9.167 -5.746 1.725 1.00 0.00 O ATOM 1589 CB VAL A 106 -11.246 -7.813 1.467 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -11.498 -9.288 1.208 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -12.562 -7.072 1.673 1.00 0.00 C ATOM 0 H VAL A 106 -11.974 -7.873 3.926 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.462 -8.302 2.581 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.753 -7.392 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.163 -9.399 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.552 -9.788 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.960 -9.738 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.205 -7.225 0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -13.058 -7.453 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.365 -6.007 1.794 1.00 0.00 H new ATOM 1601 N ARG A 107 -10.072 -5.453 3.764 1.00 0.00 N ATOM 1602 CA ARG A 107 -9.882 -4.003 3.782 1.00 0.00 C ATOM 1603 C ARG A 107 -8.415 -3.605 3.586 1.00 0.00 C ATOM 1604 O ARG A 107 -8.128 -2.691 2.820 1.00 0.00 O ATOM 1605 CB ARG A 107 -10.462 -3.378 5.065 1.00 0.00 C ATOM 1606 CG ARG A 107 -9.732 -3.743 6.351 1.00 0.00 C ATOM 1607 CD ARG A 107 -10.392 -3.109 7.568 1.00 0.00 C ATOM 1608 NE ARG A 107 -11.676 -3.737 7.888 1.00 0.00 N ATOM 1609 CZ ARG A 107 -12.758 -3.073 8.301 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -12.719 -1.757 8.459 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -13.877 -3.735 8.574 1.00 0.00 N ATOM 0 H ARG A 107 -10.418 -5.844 4.640 1.00 0.00 H new ATOM 0 HA ARG A 107 -10.435 -3.603 2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -10.455 -2.293 4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -11.505 -3.682 5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.718 -4.827 6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.694 -3.415 6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.725 -3.192 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -10.545 -2.046 7.384 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.748 -4.750 7.789 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -11.858 -1.245 8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.550 -1.256 8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -13.908 -4.749 8.468 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -14.705 -3.229 8.890 1.00 0.00 H new ATOM 1625 N GLU A 108 -7.486 -4.285 4.254 1.00 0.00 N ATOM 1626 CA GLU A 108 -6.069 -3.981 4.063 1.00 0.00 C ATOM 1627 C GLU A 108 -5.177 -5.218 4.169 1.00 0.00 C ATOM 1628 O GLU A 108 -3.957 -5.117 4.047 1.00 0.00 O ATOM 1629 CB GLU A 108 -5.600 -2.866 5.012 1.00 0.00 C ATOM 1630 CG GLU A 108 -6.124 -2.958 6.437 1.00 0.00 C ATOM 1631 CD GLU A 108 -5.541 -4.112 7.225 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -4.336 -4.068 7.546 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -6.289 -5.059 7.545 1.00 0.00 O ATOM 0 H GLU A 108 -7.681 -5.034 4.918 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.968 -3.616 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.510 -2.873 5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.901 -1.906 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.903 -2.026 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.209 -3.059 6.410 1.00 0.00 H new ATOM 1640 N GLU A 109 -5.769 -6.385 4.384 1.00 0.00 N ATOM 1641 CA GLU A 109 -5.011 -7.624 4.278 1.00 0.00 C ATOM 1642 C GLU A 109 -4.687 -7.885 2.810 1.00 0.00 C ATOM 1643 O GLU A 109 -3.578 -8.289 2.464 1.00 0.00 O ATOM 1644 CB GLU A 109 -5.777 -8.806 4.875 1.00 0.00 C ATOM 1645 CG GLU A 109 -4.985 -10.104 4.853 1.00 0.00 C ATOM 1646 CD GLU A 109 -5.703 -11.245 5.539 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -5.549 -11.390 6.772 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -6.419 -12.002 4.855 1.00 0.00 O ATOM 0 H GLU A 109 -6.753 -6.500 4.628 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.088 -7.518 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.050 -8.572 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.706 -8.945 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.779 -10.380 3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.022 -9.944 5.338 1.00 0.00 H new ATOM 1655 N LEU A 110 -5.667 -7.611 1.953 1.00 0.00 N ATOM 1656 CA LEU A 110 -5.496 -7.739 0.511 1.00 0.00 C ATOM 1657 C LEU A 110 -4.583 -6.625 0.004 1.00 0.00 C ATOM 1658 O LEU A 110 -3.976 -6.729 -1.058 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.863 -7.661 -0.186 1.00 0.00 C ATOM 1660 CG LEU A 110 -7.057 -8.591 -1.393 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -6.023 -8.327 -2.479 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -7.001 -10.045 -0.954 1.00 0.00 C ATOM 0 H LEU A 110 -6.595 -7.296 2.237 1.00 0.00 H new ATOM 0 HA LEU A 110 -5.041 -8.704 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.637 -7.885 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.023 -6.634 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.040 -8.383 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.193 -9.004 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.111 -7.296 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.023 -8.491 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.140 -10.692 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.032 -10.251 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.791 -10.236 -0.228 1.00 0.00 H new ATOM 1674 N LEU A 111 -4.486 -5.564 0.796 1.00 0.00 N ATOM 1675 CA LEU A 111 -3.655 -4.418 0.463 1.00 0.00 C ATOM 1676 C LEU A 111 -2.193 -4.838 0.342 1.00 0.00 C ATOM 1677 O LEU A 111 -1.410 -4.214 -0.372 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.826 -3.335 1.528 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.161 -1.997 1.224 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -3.707 -1.422 -0.075 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -3.379 -1.025 2.377 1.00 0.00 C ATOM 0 H LEU A 111 -4.980 -5.476 1.684 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.968 -4.014 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.892 -3.164 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.428 -3.712 2.470 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.089 -2.155 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.224 -0.467 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.505 -2.114 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -4.783 -1.273 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.899 -0.074 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.448 -0.866 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.947 -1.438 3.288 1.00 0.00 H new ATOM 1693 N ARG A 112 -1.838 -5.907 1.045 1.00 0.00 N ATOM 1694 CA ARG A 112 -0.521 -6.513 0.917 1.00 0.00 C ATOM 1695 C ARG A 112 -0.586 -7.586 -0.169 1.00 0.00 C ATOM 1696 O ARG A 112 -0.462 -8.780 0.104 1.00 0.00 O ATOM 1697 CB ARG A 112 -0.086 -7.137 2.244 1.00 0.00 C ATOM 1698 CG ARG A 112 -0.345 -6.257 3.460 1.00 0.00 C ATOM 1699 CD ARG A 112 0.406 -4.938 3.380 1.00 0.00 C ATOM 1700 NE ARG A 112 0.108 -4.077 4.527 1.00 0.00 N ATOM 1701 CZ ARG A 112 0.812 -2.994 4.858 1.00 0.00 C ATOM 1702 NH1 ARG A 112 1.856 -2.614 4.128 1.00 0.00 N ATOM 1703 NH2 ARG A 112 0.459 -2.282 5.920 1.00 0.00 N ATOM 0 H ARG A 112 -2.450 -6.374 1.714 1.00 0.00 H new ATOM 0 HA ARG A 112 0.209 -5.749 0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.609 -8.084 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.979 -7.365 2.194 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.414 -6.061 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.047 -6.790 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.478 -5.131 3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.139 -4.422 2.458 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.691 -4.322 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.126 -3.153 3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.387 -1.784 4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.347 -2.564 6.478 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.993 -1.453 6.179 1.00 0.00 H new ATOM 1717 N ALA A 113 -0.789 -7.142 -1.397 1.00 0.00 N ATOM 1718 CA ALA A 113 -1.147 -8.028 -2.495 1.00 0.00 C ATOM 1719 C ALA A 113 0.040 -8.794 -3.068 1.00 0.00 C ATOM 1720 O ALA A 113 0.667 -8.363 -4.037 1.00 0.00 O ATOM 1721 CB ALA A 113 -1.842 -7.236 -3.594 1.00 0.00 C ATOM 0 H ALA A 113 -0.711 -6.160 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 113 -1.825 -8.776 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.107 -7.905 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.746 -6.775 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.171 -6.460 -3.963 1.00 0.00 H new ATOM 1727 N GLN A 114 0.357 -9.924 -2.452 1.00 0.00 N ATOM 1728 CA GLN A 114 1.218 -10.902 -3.077 1.00 0.00 C ATOM 1729 C GLN A 114 0.395 -12.087 -3.534 1.00 0.00 C ATOM 1730 O GLN A 114 -0.509 -12.540 -2.832 1.00 0.00 O ATOM 1731 CB GLN A 114 2.343 -11.348 -2.156 1.00 0.00 C ATOM 1732 CG GLN A 114 3.619 -10.590 -2.428 1.00 0.00 C ATOM 1733 CD GLN A 114 4.810 -11.117 -1.653 1.00 0.00 C ATOM 1734 OE1 GLN A 114 4.671 -11.628 -0.543 1.00 0.00 O ATOM 1735 NE2 GLN A 114 5.990 -11.008 -2.243 1.00 0.00 N ATOM 0 H GLN A 114 0.028 -10.181 -1.521 1.00 0.00 H new ATOM 0 HA GLN A 114 1.688 -10.433 -3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 114 2.045 -11.199 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.519 -12.416 -2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.840 -10.636 -3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 114 3.469 -9.540 -2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 114 6.061 -10.577 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 114 6.828 -11.355 -1.776 1.00 0.00 H new ATOM 1744 N GLU A 115 0.718 -12.587 -4.709 1.00 0.00 N ATOM 1745 CA GLU A 115 -0.116 -13.587 -5.363 1.00 0.00 C ATOM 1746 C GLU A 115 0.345 -14.999 -5.046 1.00 0.00 C ATOM 1747 O GLU A 115 0.099 -15.931 -5.815 1.00 0.00 O ATOM 1748 CB GLU A 115 -0.110 -13.366 -6.870 1.00 0.00 C ATOM 1749 CG GLU A 115 -0.441 -11.939 -7.275 1.00 0.00 C ATOM 1750 CD GLU A 115 -0.493 -11.760 -8.777 1.00 0.00 C ATOM 1751 OE1 GLU A 115 0.353 -12.350 -9.482 1.00 0.00 O ATOM 1752 OE2 GLU A 115 -1.385 -11.031 -9.261 1.00 0.00 O ATOM 0 H GLU A 115 1.551 -12.321 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.130 -13.474 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 115 0.872 -13.628 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -0.830 -14.042 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -1.402 -11.656 -6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.306 -11.264 -6.857 1.00 0.00 H new ATOM 1759 N ALA A 116 0.996 -15.133 -3.902 1.00 0.00 N ATOM 1760 CA ALA A 116 1.566 -16.402 -3.450 1.00 0.00 C ATOM 1761 C ALA A 116 2.510 -16.985 -4.504 1.00 0.00 C ATOM 1762 O ALA A 116 2.091 -17.755 -5.366 1.00 0.00 O ATOM 1763 CB ALA A 116 0.463 -17.395 -3.100 1.00 0.00 C ATOM 0 H ALA A 116 1.148 -14.361 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 116 2.148 -16.209 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.909 -18.332 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -0.157 -16.984 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.153 -17.580 -3.980 1.00 0.00 H new ATOM 1769 N PRO A 117 3.797 -16.610 -4.448 1.00 0.00 N ATOM 1770 CA PRO A 117 4.800 -17.025 -5.439 1.00 0.00 C ATOM 1771 C PRO A 117 5.089 -18.529 -5.402 1.00 0.00 C ATOM 1772 O PRO A 117 6.100 -18.968 -4.845 1.00 0.00 O ATOM 1773 CB PRO A 117 6.055 -16.231 -5.045 1.00 0.00 C ATOM 1774 CG PRO A 117 5.577 -15.167 -4.116 1.00 0.00 C ATOM 1775 CD PRO A 117 4.382 -15.745 -3.418 1.00 0.00 C ATOM 0 HA PRO A 117 4.456 -16.831 -6.455 1.00 0.00 H new ATOM 0 HB2 PRO A 117 6.790 -16.874 -4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 117 6.538 -15.799 -5.922 1.00 0.00 H new ATOM 0 HG2 PRO A 117 6.353 -14.893 -3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 117 5.312 -14.261 -4.661 1.00 0.00 H new ATOM 0 HD2 PRO A 117 4.665 -16.308 -2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 117 3.686 -14.970 -3.096 1.00 0.00 H new ATOM 1783 N GLY A 118 4.198 -19.309 -5.997 1.00 0.00 N ATOM 1784 CA GLY A 118 4.389 -20.742 -6.076 1.00 0.00 C ATOM 1785 C GLY A 118 3.289 -21.505 -5.371 1.00 0.00 C ATOM 1786 O GLY A 118 3.005 -21.254 -4.199 1.00 0.00 O ATOM 0 H GLY A 118 3.339 -18.970 -6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.426 -21.045 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 118 5.351 -21.004 -5.635 1.00 0.00 H new ATOM 1790 N GLN A 119 2.658 -22.427 -6.084 1.00 0.00 N ATOM 1791 CA GLN A 119 1.605 -23.246 -5.504 1.00 0.00 C ATOM 1792 C GLN A 119 2.199 -24.441 -4.765 1.00 0.00 C ATOM 1793 O GLN A 119 2.704 -25.382 -5.380 1.00 0.00 O ATOM 1794 CB GLN A 119 0.642 -23.726 -6.588 1.00 0.00 C ATOM 1795 CG GLN A 119 -0.493 -24.593 -6.060 1.00 0.00 C ATOM 1796 CD GLN A 119 -1.445 -25.039 -7.153 1.00 0.00 C ATOM 1797 OE1 GLN A 119 -1.613 -24.208 -8.171 1.00 0.00 O flip ATOM 1798 NE2 GLN A 119 -2.033 -26.119 -7.077 1.00 0.00 N flip ATOM 0 H GLN A 119 2.857 -22.626 -7.064 1.00 0.00 H new ATOM 0 HA GLN A 119 1.053 -22.635 -4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 119 0.219 -22.859 -7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 119 1.201 -24.290 -7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -0.075 -25.471 -5.567 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -1.048 -24.037 -5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -1.875 -26.730 -6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -2.677 -26.402 -7.815 1.00 0.00 H new ATOM 1807 N ALA A 120 2.144 -24.395 -3.446 1.00 0.00 N ATOM 1808 CA ALA A 120 2.660 -25.475 -2.624 1.00 0.00 C ATOM 1809 C ALA A 120 1.635 -25.872 -1.574 1.00 0.00 C ATOM 1810 O ALA A 120 1.671 -25.312 -0.459 1.00 0.00 O ATOM 1811 CB ALA A 120 3.973 -25.069 -1.977 1.00 0.00 C ATOM 1812 OXT ALA A 120 0.779 -26.727 -1.881 1.00 0.00 O ATOM 0 H ALA A 120 1.745 -23.618 -2.919 1.00 0.00 H new ATOM 0 HA ALA A 120 2.851 -26.340 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 120 4.346 -25.890 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.703 -24.834 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.814 -24.192 -1.350 1.00 0.00 H new TER 1818 ALA A 120 ATOM 1819 N GLN B 1 -19.042 23.407 -1.392 1.00 0.00 N ATOM 1820 CA GLN B 1 -18.996 23.216 0.076 1.00 0.00 C ATOM 1821 C GLN B 1 -18.145 21.999 0.410 1.00 0.00 C ATOM 1822 O GLN B 1 -18.619 21.038 1.016 1.00 0.00 O ATOM 1823 CB GLN B 1 -20.407 23.022 0.638 1.00 0.00 C ATOM 1824 CG GLN B 1 -21.416 24.036 0.133 1.00 0.00 C ATOM 1825 CD GLN B 1 -22.760 23.897 0.816 1.00 0.00 C ATOM 1826 OE1 GLN B 1 -23.032 24.560 1.818 1.00 0.00 O ATOM 1827 NE2 GLN B 1 -23.598 23.009 0.304 1.00 0.00 N ATOM 0 H1 GLN B 1 -19.430 24.347 -1.608 1.00 0.00 H new ATOM 0 H2 GLN B 1 -18.081 23.332 -1.782 1.00 0.00 H new ATOM 0 H3 GLN B 1 -19.647 22.676 -1.818 1.00 0.00 H new ATOM 0 HA GLN B 1 -18.557 24.106 0.528 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -20.754 22.021 0.383 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -20.365 23.077 1.726 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -21.030 25.042 0.297 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -21.543 23.914 -0.943 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -23.335 22.480 -0.527 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -24.507 22.854 0.741 1.00 0.00 H new ATOM 1838 N ASP B 2 -16.886 22.038 0.008 1.00 0.00 N ATOM 1839 CA ASP B 2 -15.997 20.899 0.175 1.00 0.00 C ATOM 1840 C ASP B 2 -14.583 21.365 0.475 1.00 0.00 C ATOM 1841 O ASP B 2 -14.297 22.566 0.464 1.00 0.00 O ATOM 1842 CB ASP B 2 -15.992 20.031 -1.089 1.00 0.00 C ATOM 1843 CG ASP B 2 -15.459 20.771 -2.305 1.00 0.00 C ATOM 1844 OD1 ASP B 2 -14.226 20.872 -2.457 1.00 0.00 O ATOM 1845 OD2 ASP B 2 -16.270 21.259 -3.114 1.00 0.00 O ATOM 0 H ASP B 2 -16.455 22.848 -0.438 1.00 0.00 H new ATOM 0 HA ASP B 2 -16.362 20.307 1.014 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -15.384 19.144 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -17.006 19.687 -1.293 1.00 0.00 H new ATOM 1850 N THR B 3 -13.710 20.412 0.738 1.00 0.00 N ATOM 1851 CA THR B 3 -12.316 20.694 0.994 1.00 0.00 C ATOM 1852 C THR B 3 -11.460 20.031 -0.077 1.00 0.00 C ATOM 1853 O THR B 3 -11.325 18.805 -0.101 1.00 0.00 O ATOM 1854 CB THR B 3 -11.901 20.171 2.384 1.00 0.00 C ATOM 1855 OG1 THR B 3 -12.877 20.564 3.359 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.542 20.717 2.788 1.00 0.00 C ATOM 0 H THR B 3 -13.950 19.421 0.780 1.00 0.00 H new ATOM 0 HA THR B 3 -12.167 21.774 0.971 1.00 0.00 H new ATOM 0 HB THR B 3 -11.839 19.084 2.335 1.00 0.00 H new ATOM 0 HG1 THR B 3 -13.020 19.830 3.993 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.273 20.333 3.772 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.793 20.405 2.060 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.583 21.806 2.823 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.914 20.829 -0.982 1.00 0.00 N ATOM 1865 CA ARG B 4 -10.096 20.290 -2.054 1.00 0.00 C ATOM 1866 C ARG B 4 -8.690 20.005 -1.550 1.00 0.00 C ATOM 1867 O ARG B 4 -8.104 20.812 -0.829 1.00 0.00 O ATOM 1868 CB ARG B 4 -10.023 21.258 -3.238 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.517 20.607 -4.520 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.457 21.445 -5.215 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.197 21.454 -4.478 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.147 22.213 -4.784 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -6.184 23.040 -5.825 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.050 22.128 -4.049 1.00 0.00 N ATOM 0 H ARG B 4 -11.022 21.843 -0.995 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.561 19.363 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -11.013 21.676 -3.418 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.368 22.090 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -9.105 19.625 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -10.355 20.449 -5.199 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -8.287 21.055 -6.219 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -8.819 22.467 -5.327 1.00 0.00 H new ATOM 0 HE ARG B 4 -7.115 20.835 -3.671 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.024 23.098 -6.400 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -5.372 23.616 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -5.015 21.486 -3.257 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -4.239 22.705 -4.274 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.165 18.856 -1.921 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.797 18.505 -1.600 1.00 0.00 C ATOM 1890 C LEU B 5 -5.869 19.133 -2.620 1.00 0.00 C ATOM 1891 O LEU B 5 -5.196 20.128 -2.284 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.611 16.984 -1.580 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.054 16.277 -0.294 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.347 16.873 0.912 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.566 16.349 -0.120 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.855 18.659 -3.773 1.00 0.00 O ATOM 0 H LEU B 5 -8.669 18.144 -2.449 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.559 18.884 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.165 16.558 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.557 16.763 -1.750 1.00 0.00 H new ATOM 0 HG LEU B 5 -6.776 15.226 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.674 16.359 1.816 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.269 16.755 0.797 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.590 17.933 0.989 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -8.851 15.839 0.800 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.877 17.392 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.053 15.867 -0.968 1.00 0.00 H new TER 1908 LEU B 5