USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=18 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 37 GLN : amide:sc= 0.0689 K(o=-0.13,f=-3.4!) USER MOD Set 1.2: A 72 HIS : no HE2:sc= -1.42 K(o=-0.13,f=-12!) USER MOD Set 1.3: B 3 THR OG1 : rot 147:sc= 1.22 USER MOD Single : A 9 THR OG1 : rot 150:sc= 0.0554 USER MOD Single : A 10 MET CE :methyl -146:sc= -0.0179 (180deg=-0.998) USER MOD Single : A 15 CYS SG : rot -62:sc= 0.264 USER MOD Single : A 16 CYS SG : rot 180:sc= 0.148 USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= -2.48! (180deg=-5.56!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.146 F(o=-1.5!,f=-0.15) USER MOD Single : A 24 TYR OH : rot -142:sc= 0.851 USER MOD Single : A 27 HIS : no HD1:sc= 0.998 K(o=1,f=-4.8!) USER MOD Single : A 29 HIS : no HE2:sc= -0.312 K(o=-0.31,f=-3.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0382 (180deg=-0.242) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -89:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.01 K(o=-1,f=-2.9!) USER MOD Single : A 66 ASN : amide:sc= -4.86! C(o=-4.9!,f=-4.5!) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= -0.0593 (180deg=-0.287) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.68! C(o=-1.7!,f=-6.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.841 USER MOD Single : A 98 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.3!) USER MOD Single : A 100 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.071) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 114 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.1) USER MOD Single : A 119 GLN : amide:sc= -3.28! C(o=-3.3!,f=-5.5!) USER MOD Single : B 1 GLN : amide:sc= 1.21 K(o=1.2,f=-0.12) USER MOD Single : B 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -27.771 -11.197 -2.244 1.00 0.00 N ATOM 2 CA GLY A 4 -27.897 -11.845 -3.568 1.00 0.00 C ATOM 3 C GLY A 4 -26.644 -12.598 -3.936 1.00 0.00 C ATOM 4 O GLY A 4 -25.781 -12.808 -3.085 1.00 0.00 O ATOM 0 HA2 GLY A 4 -28.745 -12.530 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.105 -11.089 -4.326 1.00 0.00 H new ATOM 10 N ILE A 5 -26.537 -13.021 -5.188 1.00 0.00 N ATOM 11 CA ILE A 5 -25.329 -13.681 -5.656 1.00 0.00 C ATOM 12 C ILE A 5 -24.226 -12.643 -5.819 1.00 0.00 C ATOM 13 O ILE A 5 -24.375 -11.654 -6.540 1.00 0.00 O ATOM 14 CB ILE A 5 -25.572 -14.482 -6.968 1.00 0.00 C ATOM 15 CG1 ILE A 5 -24.340 -15.322 -7.364 1.00 0.00 C ATOM 16 CG2 ILE A 5 -25.998 -13.568 -8.111 1.00 0.00 C ATOM 17 CD1 ILE A 5 -23.220 -14.553 -8.042 1.00 0.00 C ATOM 0 H ILE A 5 -27.267 -12.919 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 5 -25.018 -14.415 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 5 -26.391 -15.173 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -23.941 -15.797 -6.467 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -24.665 -16.121 -8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -26.159 -14.162 -9.011 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -26.923 -13.057 -7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -25.217 -12.831 -8.297 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -22.403 -15.234 -8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.593 -14.101 -8.961 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.859 -13.771 -7.374 1.00 0.00 H new ATOM 29 N ASP A 6 -23.136 -12.854 -5.114 1.00 0.00 N ATOM 30 CA ASP A 6 -22.049 -11.893 -5.091 1.00 0.00 C ATOM 31 C ASP A 6 -20.817 -12.452 -5.778 1.00 0.00 C ATOM 32 O ASP A 6 -20.481 -13.625 -5.615 1.00 0.00 O ATOM 33 CB ASP A 6 -21.684 -11.522 -3.652 1.00 0.00 C ATOM 34 CG ASP A 6 -22.874 -11.069 -2.832 1.00 0.00 C ATOM 35 OD1 ASP A 6 -23.460 -10.013 -3.153 1.00 0.00 O ATOM 36 OD2 ASP A 6 -23.215 -11.762 -1.848 1.00 0.00 O ATOM 0 H ASP A 6 -22.976 -13.686 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 6 -22.389 -11.004 -5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -21.224 -12.383 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -20.938 -10.728 -3.667 1.00 0.00 H new ATOM 41 N PRO A 7 -20.135 -11.620 -6.567 1.00 0.00 N ATOM 42 CA PRO A 7 -18.848 -11.971 -7.147 1.00 0.00 C ATOM 43 C PRO A 7 -17.737 -11.772 -6.125 1.00 0.00 C ATOM 44 O PRO A 7 -17.928 -11.083 -5.118 1.00 0.00 O ATOM 45 CB PRO A 7 -18.713 -10.980 -8.302 1.00 0.00 C ATOM 46 CG PRO A 7 -19.458 -9.774 -7.850 1.00 0.00 C ATOM 47 CD PRO A 7 -20.570 -10.265 -6.958 1.00 0.00 C ATOM 0 HA PRO A 7 -18.780 -13.011 -7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -17.668 -10.747 -8.505 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -19.134 -11.384 -9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -18.801 -9.092 -7.310 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -19.858 -9.224 -8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -20.700 -9.620 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -21.524 -10.287 -7.484 1.00 0.00 H new ATOM 55 N PHE A 8 -16.590 -12.381 -6.360 1.00 0.00 N ATOM 56 CA PHE A 8 -15.479 -12.248 -5.434 1.00 0.00 C ATOM 57 C PHE A 8 -14.848 -10.872 -5.564 1.00 0.00 C ATOM 58 O PHE A 8 -14.026 -10.628 -6.450 1.00 0.00 O ATOM 59 CB PHE A 8 -14.428 -13.337 -5.654 1.00 0.00 C ATOM 60 CG PHE A 8 -13.279 -13.248 -4.685 1.00 0.00 C ATOM 61 CD1 PHE A 8 -13.488 -13.423 -3.325 1.00 0.00 C ATOM 62 CD2 PHE A 8 -11.993 -12.986 -5.132 1.00 0.00 C ATOM 63 CE1 PHE A 8 -12.438 -13.339 -2.432 1.00 0.00 C ATOM 64 CE2 PHE A 8 -10.939 -12.900 -4.243 1.00 0.00 C ATOM 65 CZ PHE A 8 -11.163 -13.077 -2.891 1.00 0.00 C ATOM 0 H PHE A 8 -16.403 -12.966 -7.174 1.00 0.00 H new ATOM 0 HA PHE A 8 -15.872 -12.367 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -14.900 -14.315 -5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -14.045 -13.264 -6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -14.484 -13.627 -2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -11.813 -12.847 -6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.614 -13.478 -1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.942 -12.695 -4.604 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.341 -13.010 -2.194 1.00 0.00 H new ATOM 75 N THR A 9 -15.262 -9.971 -4.692 1.00 0.00 N ATOM 76 CA THR A 9 -14.716 -8.634 -4.664 1.00 0.00 C ATOM 77 C THR A 9 -13.495 -8.588 -3.746 1.00 0.00 C ATOM 78 O THR A 9 -12.499 -9.262 -4.005 1.00 0.00 O ATOM 79 CB THR A 9 -15.776 -7.612 -4.197 1.00 0.00 C ATOM 80 OG1 THR A 9 -16.364 -8.043 -2.962 1.00 0.00 O ATOM 81 CG2 THR A 9 -16.866 -7.437 -5.243 1.00 0.00 C ATOM 0 H THR A 9 -15.981 -10.147 -3.990 1.00 0.00 H new ATOM 0 HA THR A 9 -14.412 -8.366 -5.676 1.00 0.00 H new ATOM 0 HB THR A 9 -15.278 -6.654 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.636 -7.260 -2.439 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.598 -6.712 -4.888 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.424 -7.080 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.358 -8.393 -5.419 1.00 0.00 H new ATOM 89 N MET A 10 -13.597 -7.807 -2.670 1.00 0.00 N ATOM 90 CA MET A 10 -12.531 -7.677 -1.680 1.00 0.00 C ATOM 91 C MET A 10 -11.181 -7.428 -2.335 1.00 0.00 C ATOM 92 O MET A 10 -10.275 -8.256 -2.267 1.00 0.00 O ATOM 93 CB MET A 10 -12.463 -8.908 -0.778 1.00 0.00 C ATOM 94 CG MET A 10 -13.530 -8.931 0.297 1.00 0.00 C ATOM 95 SD MET A 10 -13.217 -10.182 1.559 1.00 0.00 S ATOM 96 CE MET A 10 -13.267 -11.679 0.577 1.00 0.00 C ATOM 0 H MET A 10 -14.423 -7.246 -2.461 1.00 0.00 H new ATOM 0 HA MET A 10 -12.771 -6.809 -1.065 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.558 -9.804 -1.392 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.482 -8.948 -0.305 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.586 -7.950 0.769 1.00 0.00 H new ATOM 0 HG3 MET A 10 -14.500 -9.119 -0.163 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.687 -12.490 1.172 1.00 0.00 H new ATOM 0 HE2 MET A 10 -13.888 -11.516 -0.304 1.00 0.00 H new ATOM 0 HE3 MET A 10 -12.257 -11.943 0.265 1.00 0.00 H new ATOM 106 N LEU A 11 -11.056 -6.275 -2.962 1.00 0.00 N ATOM 107 CA LEU A 11 -9.840 -5.919 -3.673 1.00 0.00 C ATOM 108 C LEU A 11 -9.654 -4.396 -3.713 1.00 0.00 C ATOM 109 O LEU A 11 -9.575 -3.793 -4.782 1.00 0.00 O ATOM 110 CB LEU A 11 -9.857 -6.533 -5.088 1.00 0.00 C ATOM 111 CG LEU A 11 -10.877 -5.971 -6.104 1.00 0.00 C ATOM 112 CD1 LEU A 11 -10.968 -6.895 -7.305 1.00 0.00 C ATOM 113 CD2 LEU A 11 -12.257 -5.774 -5.490 1.00 0.00 C ATOM 0 H LEU A 11 -11.786 -5.563 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.984 -6.330 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.861 -6.418 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.039 -7.603 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.521 -4.990 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.688 -6.495 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.990 -6.971 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.291 -7.884 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.937 -5.378 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.634 -6.730 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.188 -5.073 -4.658 1.00 0.00 H new ATOM 125 N PRO A 12 -9.603 -3.755 -2.528 1.00 0.00 N ATOM 126 CA PRO A 12 -9.403 -2.306 -2.411 1.00 0.00 C ATOM 127 C PRO A 12 -8.150 -1.825 -3.135 1.00 0.00 C ATOM 128 O PRO A 12 -7.135 -2.521 -3.184 1.00 0.00 O ATOM 129 CB PRO A 12 -9.270 -2.081 -0.903 1.00 0.00 C ATOM 130 CG PRO A 12 -9.993 -3.228 -0.293 1.00 0.00 C ATOM 131 CD PRO A 12 -9.742 -4.390 -1.209 1.00 0.00 C ATOM 0 HA PRO A 12 -10.222 -1.750 -2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.225 -2.061 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.709 -1.130 -0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.626 -3.434 0.712 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.059 -3.019 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.842 -4.937 -0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.566 -5.103 -1.190 1.00 0.00 H new ATOM 139 N ARG A 13 -8.239 -0.627 -3.682 1.00 0.00 N ATOM 140 CA ARG A 13 -7.158 -0.048 -4.462 1.00 0.00 C ATOM 141 C ARG A 13 -6.409 0.996 -3.652 1.00 0.00 C ATOM 142 O ARG A 13 -7.018 1.840 -2.988 1.00 0.00 O ATOM 143 CB ARG A 13 -7.717 0.565 -5.747 1.00 0.00 C ATOM 144 CG ARG A 13 -9.088 1.192 -5.560 1.00 0.00 C ATOM 145 CD ARG A 13 -9.690 1.651 -6.875 1.00 0.00 C ATOM 146 NE ARG A 13 -11.148 1.720 -6.798 1.00 0.00 N ATOM 147 CZ ARG A 13 -11.839 2.843 -6.619 1.00 0.00 C ATOM 148 NH1 ARG A 13 -11.219 4.013 -6.606 1.00 0.00 N ATOM 149 NH2 ARG A 13 -13.159 2.800 -6.480 1.00 0.00 N ATOM 0 H ARG A 13 -9.060 -0.028 -3.599 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.453 -0.837 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.024 1.323 -6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.779 -0.207 -6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.755 0.470 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.008 2.042 -4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.291 2.631 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.398 0.965 -7.670 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.671 0.849 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.208 4.056 -6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.753 4.871 -6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.646 1.904 -6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.686 3.663 -6.343 1.00 0.00 H new ATOM 163 N LEU A 14 -5.090 0.926 -3.703 1.00 0.00 N ATOM 164 CA LEU A 14 -4.253 1.874 -2.997 1.00 0.00 C ATOM 165 C LEU A 14 -3.813 2.974 -3.949 1.00 0.00 C ATOM 166 O LEU A 14 -3.192 2.710 -4.980 1.00 0.00 O ATOM 167 CB LEU A 14 -3.030 1.178 -2.401 1.00 0.00 C ATOM 168 CG LEU A 14 -2.180 2.047 -1.472 1.00 0.00 C ATOM 169 CD1 LEU A 14 -2.976 2.449 -0.242 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.914 1.310 -1.068 1.00 0.00 C ATOM 0 H LEU A 14 -4.576 0.219 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.830 2.309 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.364 0.300 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.401 0.821 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.897 2.952 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.355 3.067 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.857 3.014 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.288 1.555 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.320 1.942 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.179 0.389 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.333 1.070 -1.958 1.00 0.00 H new ATOM 182 N CYS A 15 -4.135 4.203 -3.609 1.00 0.00 N ATOM 183 CA CYS A 15 -3.838 5.325 -4.472 1.00 0.00 C ATOM 184 C CYS A 15 -2.706 6.159 -3.894 1.00 0.00 C ATOM 185 O CYS A 15 -2.865 6.825 -2.873 1.00 0.00 O ATOM 186 CB CYS A 15 -5.088 6.181 -4.659 1.00 0.00 C ATOM 187 SG CYS A 15 -6.476 5.278 -5.386 1.00 0.00 S ATOM 0 H CYS A 15 -4.604 4.451 -2.738 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.520 4.946 -5.443 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.392 6.583 -3.692 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.845 7.032 -5.295 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.152 4.870 -6.577 1.00 0.00 H new ATOM 193 N CYS A 16 -1.555 6.098 -4.534 1.00 0.00 N ATOM 194 CA CYS A 16 -0.431 6.922 -4.145 1.00 0.00 C ATOM 195 C CYS A 16 -0.561 8.292 -4.796 1.00 0.00 C ATOM 196 O CYS A 16 -0.369 8.438 -6.002 1.00 0.00 O ATOM 197 CB CYS A 16 0.880 6.236 -4.546 1.00 0.00 C ATOM 198 SG CYS A 16 0.809 5.381 -6.140 1.00 0.00 S ATOM 0 H CYS A 16 -1.375 5.484 -5.328 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.423 7.054 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.673 6.983 -4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.153 5.518 -3.773 1.00 0.00 H new ATOM 0 HG CYS A 16 1.962 4.836 -6.392 1.00 0.00 H new ATOM 204 N LEU A 17 -0.911 9.288 -3.996 1.00 0.00 N ATOM 205 CA LEU A 17 -1.161 10.626 -4.512 1.00 0.00 C ATOM 206 C LEU A 17 0.088 11.489 -4.449 1.00 0.00 C ATOM 207 O LEU A 17 0.751 11.565 -3.414 1.00 0.00 O ATOM 208 CB LEU A 17 -2.303 11.304 -3.749 1.00 0.00 C ATOM 209 CG LEU A 17 -3.673 11.227 -4.421 1.00 0.00 C ATOM 210 CD1 LEU A 17 -3.612 11.844 -5.805 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.167 9.788 -4.496 1.00 0.00 C ATOM 0 H LEU A 17 -1.028 9.195 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.451 10.519 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.376 10.852 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.047 12.353 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.383 11.792 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.594 11.783 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.312 12.889 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.886 11.304 -6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.144 9.763 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.462 9.191 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.249 9.379 -3.489 1.00 0.00 H new ATOM 223 N GLU A 18 0.408 12.115 -5.571 1.00 0.00 N ATOM 224 CA GLU A 18 1.518 13.047 -5.646 1.00 0.00 C ATOM 225 C GLU A 18 1.018 14.483 -5.521 1.00 0.00 C ATOM 226 O GLU A 18 0.039 14.870 -6.160 1.00 0.00 O ATOM 227 CB GLU A 18 2.272 12.874 -6.969 1.00 0.00 C ATOM 228 CG GLU A 18 3.349 13.923 -7.196 1.00 0.00 C ATOM 229 CD GLU A 18 3.990 13.825 -8.564 1.00 0.00 C ATOM 230 OE1 GLU A 18 3.298 14.080 -9.572 1.00 0.00 O ATOM 231 OE2 GLU A 18 5.193 13.508 -8.638 1.00 0.00 O ATOM 0 H GLU A 18 -0.093 11.991 -6.451 1.00 0.00 H new ATOM 0 HA GLU A 18 2.198 12.836 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.729 11.885 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.559 12.913 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.914 14.915 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.119 13.817 -6.432 1.00 0.00 H new ATOM 238 N LYS A 19 1.679 15.257 -4.674 1.00 0.00 N ATOM 239 CA LYS A 19 1.409 16.680 -4.572 1.00 0.00 C ATOM 240 C LYS A 19 1.921 17.377 -5.819 1.00 0.00 C ATOM 241 O LYS A 19 3.129 17.541 -6.004 1.00 0.00 O ATOM 242 CB LYS A 19 2.060 17.274 -3.314 1.00 0.00 C ATOM 243 CG LYS A 19 1.998 18.796 -3.239 1.00 0.00 C ATOM 244 CD LYS A 19 0.569 19.323 -3.209 1.00 0.00 C ATOM 245 CE LYS A 19 -0.160 18.914 -1.939 1.00 0.00 C ATOM 246 NZ LYS A 19 -1.493 19.564 -1.822 1.00 0.00 N ATOM 0 H LYS A 19 2.409 14.920 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 19 0.333 16.832 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.570 16.858 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.104 16.961 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.525 19.134 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.520 19.220 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.581 20.410 -3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.026 18.948 -4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.283 17.831 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.448 19.176 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.600 19.967 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.573 20.322 -2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.239 18.858 -1.985 1.00 0.00 H new ATOM 260 N GLY A 20 0.995 17.748 -6.678 1.00 0.00 N ATOM 261 CA GLY A 20 1.353 18.412 -7.911 1.00 0.00 C ATOM 262 C GLY A 20 1.559 19.900 -7.718 1.00 0.00 C ATOM 263 O GLY A 20 2.200 20.319 -6.751 1.00 0.00 O ATOM 0 H GLY A 20 -0.006 17.602 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.266 17.969 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.570 18.248 -8.651 1.00 0.00 H new ATOM 267 N PRO A 21 1.012 20.727 -8.621 1.00 0.00 N ATOM 268 CA PRO A 21 1.154 22.186 -8.557 1.00 0.00 C ATOM 269 C PRO A 21 0.644 22.764 -7.241 1.00 0.00 C ATOM 270 O PRO A 21 1.365 23.477 -6.540 1.00 0.00 O ATOM 271 CB PRO A 21 0.301 22.686 -9.728 1.00 0.00 C ATOM 272 CG PRO A 21 0.194 21.523 -10.651 1.00 0.00 C ATOM 273 CD PRO A 21 0.218 20.301 -9.785 1.00 0.00 C ATOM 0 HA PRO A 21 2.199 22.492 -8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.682 23.013 -9.389 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.768 23.539 -10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.727 21.570 -11.232 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.020 21.513 -11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.787 19.993 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.676 19.454 -10.296 1.00 0.00 H new ATOM 281 N ASN A 22 -0.597 22.444 -6.903 1.00 0.00 N ATOM 282 CA ASN A 22 -1.207 22.943 -5.678 1.00 0.00 C ATOM 283 C ASN A 22 -2.272 21.981 -5.167 1.00 0.00 C ATOM 284 O ASN A 22 -3.380 22.387 -4.816 1.00 0.00 O ATOM 285 CB ASN A 22 -1.785 24.355 -5.896 1.00 0.00 C ATOM 286 CG ASN A 22 -2.691 24.499 -7.116 1.00 0.00 C ATOM 287 OD1 ASN A 22 -3.553 23.529 -7.365 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -2.642 25.512 -7.809 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.202 21.841 -7.460 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.433 23.011 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.348 24.642 -5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.958 25.059 -5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.966 26.245 -7.594 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.277 25.620 -8.600 1.00 0.00 H new ATOM 295 N GLY A 23 -1.935 20.698 -5.127 1.00 0.00 N ATOM 296 CA GLY A 23 -2.881 19.718 -4.651 1.00 0.00 C ATOM 297 C GLY A 23 -2.649 18.336 -5.222 1.00 0.00 C ATOM 298 O GLY A 23 -1.712 18.115 -5.990 1.00 0.00 O ATOM 0 H GLY A 23 -1.030 20.325 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.826 19.668 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.890 20.044 -4.905 1.00 0.00 H new ATOM 302 N TYR A 24 -3.499 17.412 -4.814 1.00 0.00 N ATOM 303 CA TYR A 24 -3.484 16.046 -5.309 1.00 0.00 C ATOM 304 C TYR A 24 -4.532 15.905 -6.398 1.00 0.00 C ATOM 305 O TYR A 24 -4.503 14.973 -7.198 1.00 0.00 O ATOM 306 CB TYR A 24 -3.765 15.066 -4.170 1.00 0.00 C ATOM 307 CG TYR A 24 -2.808 15.204 -3.013 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.443 15.100 -3.212 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.269 15.447 -1.729 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.559 15.236 -2.166 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.393 15.585 -0.672 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.037 15.478 -0.894 1.00 0.00 C ATOM 313 OH TYR A 24 -0.161 15.609 0.161 1.00 0.00 O ATOM 0 H TYR A 24 -4.227 17.590 -4.122 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.500 15.817 -5.719 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.783 15.220 -3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.713 14.048 -4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.065 14.909 -4.205 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.331 15.530 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.504 15.154 -2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.767 15.776 0.323 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.545 15.189 0.959 1.00 0.00 H new ATOM 323 N GLY A 25 -5.481 16.830 -6.393 1.00 0.00 N ATOM 324 CA GLY A 25 -6.384 16.966 -7.511 1.00 0.00 C ATOM 325 C GLY A 25 -7.756 16.370 -7.280 1.00 0.00 C ATOM 326 O GLY A 25 -8.429 15.983 -8.232 1.00 0.00 O ATOM 0 H GLY A 25 -5.640 17.489 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.496 18.024 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.937 16.491 -8.384 1.00 0.00 H new ATOM 330 N PHE A 26 -8.189 16.279 -6.037 1.00 0.00 N ATOM 331 CA PHE A 26 -9.560 15.883 -5.772 1.00 0.00 C ATOM 332 C PHE A 26 -10.140 16.714 -4.649 1.00 0.00 C ATOM 333 O PHE A 26 -9.417 17.228 -3.801 1.00 0.00 O ATOM 334 CB PHE A 26 -9.690 14.381 -5.463 1.00 0.00 C ATOM 335 CG PHE A 26 -8.831 13.880 -4.332 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.483 13.624 -4.528 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.375 13.649 -3.076 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.694 13.150 -3.498 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.589 13.171 -2.043 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.248 12.922 -2.255 1.00 0.00 C ATOM 0 H PHE A 26 -7.625 16.470 -5.209 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.131 16.067 -6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.732 14.164 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.441 13.819 -6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.044 13.797 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.423 13.845 -2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.644 12.958 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.024 12.993 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.633 12.549 -1.449 1.00 0.00 H new ATOM 350 N HIS A 27 -11.447 16.861 -4.662 1.00 0.00 N ATOM 351 CA HIS A 27 -12.136 17.627 -3.645 1.00 0.00 C ATOM 352 C HIS A 27 -12.919 16.673 -2.769 1.00 0.00 C ATOM 353 O HIS A 27 -13.772 15.934 -3.263 1.00 0.00 O ATOM 354 CB HIS A 27 -13.068 18.664 -4.286 1.00 0.00 C ATOM 355 CG HIS A 27 -12.363 19.653 -5.173 1.00 0.00 C ATOM 356 ND1 HIS A 27 -12.300 21.002 -4.898 1.00 0.00 N ATOM 357 CD2 HIS A 27 -11.695 19.481 -6.344 1.00 0.00 C ATOM 358 CE1 HIS A 27 -11.625 21.615 -5.860 1.00 0.00 C ATOM 359 NE2 HIS A 27 -11.250 20.713 -6.748 1.00 0.00 N ATOM 0 H HIS A 27 -12.058 16.457 -5.371 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.410 18.169 -3.039 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -13.827 18.144 -4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -13.589 19.206 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.543 18.545 -6.861 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.417 22.674 -5.909 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.716 20.902 -7.596 1.00 0.00 H new ATOM 368 N LEU A 28 -12.623 16.669 -1.483 1.00 0.00 N ATOM 369 CA LEU A 28 -13.266 15.741 -0.577 1.00 0.00 C ATOM 370 C LEU A 28 -14.409 16.420 0.142 1.00 0.00 C ATOM 371 O LEU A 28 -14.296 17.570 0.574 1.00 0.00 O ATOM 372 CB LEU A 28 -12.280 15.181 0.451 1.00 0.00 C ATOM 373 CG LEU A 28 -12.877 14.141 1.400 1.00 0.00 C ATOM 374 CD1 LEU A 28 -12.376 12.747 1.062 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.569 14.493 2.844 1.00 0.00 C ATOM 0 H LEU A 28 -11.946 17.294 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.646 14.912 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.439 14.732 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.881 16.006 1.041 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.960 14.147 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.815 12.026 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.663 12.495 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.290 12.719 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.003 13.740 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.489 14.523 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.994 15.469 3.079 1.00 0.00 H new ATOM 387 N HIS A 29 -15.498 15.695 0.271 1.00 0.00 N ATOM 388 CA HIS A 29 -16.676 16.189 0.926 1.00 0.00 C ATOM 389 C HIS A 29 -16.810 15.510 2.273 1.00 0.00 C ATOM 390 O HIS A 29 -16.918 14.286 2.352 1.00 0.00 O ATOM 391 CB HIS A 29 -17.901 15.897 0.057 1.00 0.00 C ATOM 392 CG HIS A 29 -19.200 16.309 0.674 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.815 17.509 0.409 1.00 0.00 N ATOM 394 CD2 HIS A 29 -20.004 15.656 1.537 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.943 17.580 1.090 1.00 0.00 C ATOM 396 NE2 HIS A 29 -21.084 16.465 1.783 1.00 0.00 N ATOM 0 H HIS A 29 -15.586 14.741 -0.080 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.601 17.266 1.074 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.786 16.410 -0.898 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.935 14.829 -0.157 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -19.456 18.231 -0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.830 14.676 1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.634 18.410 1.082 1.00 0.00 H new ATOM 405 N GLY A 30 -16.779 16.297 3.327 1.00 0.00 N ATOM 406 CA GLY A 30 -16.898 15.742 4.647 1.00 0.00 C ATOM 407 C GLY A 30 -18.113 16.261 5.367 1.00 0.00 C ATOM 408 O GLY A 30 -18.328 17.472 5.439 1.00 0.00 O ATOM 0 H GLY A 30 -16.673 17.311 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.952 14.655 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.005 15.982 5.223 1.00 0.00 H new ATOM 412 N GLU A 31 -18.902 15.352 5.906 1.00 0.00 N ATOM 413 CA GLU A 31 -20.074 15.728 6.664 1.00 0.00 C ATOM 414 C GLU A 31 -19.636 16.100 8.068 1.00 0.00 C ATOM 415 O GLU A 31 -18.789 15.429 8.657 1.00 0.00 O ATOM 416 CB GLU A 31 -21.091 14.587 6.675 1.00 0.00 C ATOM 417 CG GLU A 31 -21.484 14.132 5.275 1.00 0.00 C ATOM 418 CD GLU A 31 -22.641 13.160 5.270 1.00 0.00 C ATOM 419 OE1 GLU A 31 -22.415 11.950 5.472 1.00 0.00 O ATOM 420 OE2 GLU A 31 -23.791 13.603 5.060 1.00 0.00 O ATOM 0 H GLU A 31 -18.750 14.346 5.831 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.563 16.586 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -20.676 13.742 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.984 14.908 7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.748 15.004 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.623 13.665 4.796 1.00 0.00 H new ATOM 427 N LYS A 32 -20.185 17.187 8.583 1.00 0.00 N ATOM 428 CA LYS A 32 -19.669 17.799 9.799 1.00 0.00 C ATOM 429 C LYS A 32 -20.049 17.013 11.048 1.00 0.00 C ATOM 430 O LYS A 32 -20.987 17.356 11.772 1.00 0.00 O ATOM 431 CB LYS A 32 -20.130 19.254 9.884 1.00 0.00 C ATOM 432 CG LYS A 32 -19.731 20.063 8.655 1.00 0.00 C ATOM 433 CD LYS A 32 -18.245 19.908 8.350 1.00 0.00 C ATOM 434 CE LYS A 32 -17.891 20.443 6.972 1.00 0.00 C ATOM 435 NZ LYS A 32 -17.981 21.924 6.898 1.00 0.00 N ATOM 0 H LYS A 32 -20.990 17.666 8.178 1.00 0.00 H new ATOM 0 HA LYS A 32 -18.580 17.780 9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.214 19.283 9.998 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -19.703 19.716 10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.317 19.737 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.963 21.115 8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -17.662 20.436 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -17.969 18.855 8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.880 20.130 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.560 20.004 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.730 22.240 5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -18.952 22.224 7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.324 22.346 7.584 1.00 0.00 H new ATOM 449 N GLY A 33 -19.300 15.946 11.264 1.00 0.00 N ATOM 450 CA GLY A 33 -19.422 15.129 12.448 1.00 0.00 C ATOM 451 C GLY A 33 -18.244 14.185 12.548 1.00 0.00 C ATOM 452 O GLY A 33 -17.150 14.590 12.943 1.00 0.00 O ATOM 0 H GLY A 33 -18.584 15.623 10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.467 15.762 13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.352 14.561 12.414 1.00 0.00 H new ATOM 456 N LYS A 34 -18.457 12.932 12.167 1.00 0.00 N ATOM 457 CA LYS A 34 -17.373 11.960 12.067 1.00 0.00 C ATOM 458 C LYS A 34 -17.500 11.180 10.765 1.00 0.00 C ATOM 459 O LYS A 34 -16.621 11.213 9.905 1.00 0.00 O ATOM 460 CB LYS A 34 -17.395 10.972 13.242 1.00 0.00 C ATOM 461 CG LYS A 34 -17.183 11.601 14.607 1.00 0.00 C ATOM 462 CD LYS A 34 -15.836 12.296 14.711 1.00 0.00 C ATOM 463 CE LYS A 34 -15.557 12.749 16.135 1.00 0.00 C ATOM 464 NZ LYS A 34 -16.700 13.509 16.716 1.00 0.00 N ATOM 0 H LYS A 34 -19.375 12.562 11.921 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.431 12.509 12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -18.352 10.451 13.242 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.623 10.220 13.080 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.978 12.321 14.802 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.254 10.831 15.376 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.048 11.618 14.382 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.816 13.157 14.043 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.347 11.879 16.757 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.663 13.373 16.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.393 13.984 17.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.027 14.221 16.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.478 12.854 16.933 1.00 0.00 H new ATOM 478 N LEU A 35 -18.622 10.495 10.624 1.00 0.00 N ATOM 479 CA LEU A 35 -18.845 9.624 9.487 1.00 0.00 C ATOM 480 C LEU A 35 -19.371 10.410 8.301 1.00 0.00 C ATOM 481 O LEU A 35 -20.417 11.053 8.385 1.00 0.00 O ATOM 482 CB LEU A 35 -19.838 8.518 9.847 1.00 0.00 C ATOM 483 CG LEU A 35 -19.480 7.698 11.087 1.00 0.00 C ATOM 484 CD1 LEU A 35 -20.508 6.602 11.314 1.00 0.00 C ATOM 485 CD2 LEU A 35 -18.088 7.109 10.950 1.00 0.00 C ATOM 0 H LEU A 35 -19.396 10.527 11.288 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.889 9.175 9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.819 8.968 10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.927 7.841 8.997 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.488 8.359 11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -20.238 6.028 12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -21.491 7.050 11.457 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.533 5.941 10.447 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.849 6.529 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -18.052 6.461 10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -17.362 7.914 10.836 1.00 0.00 H new ATOM 497 N GLY A 36 -18.639 10.364 7.204 1.00 0.00 N ATOM 498 CA GLY A 36 -19.099 10.993 5.988 1.00 0.00 C ATOM 499 C GLY A 36 -17.984 11.653 5.212 1.00 0.00 C ATOM 500 O GLY A 36 -18.007 12.862 4.997 1.00 0.00 O ATOM 0 H GLY A 36 -17.733 9.902 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.581 10.246 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.855 11.739 6.234 1.00 0.00 H new ATOM 504 N GLN A 37 -16.995 10.867 4.799 1.00 0.00 N ATOM 505 CA GLN A 37 -15.922 11.385 3.962 1.00 0.00 C ATOM 506 C GLN A 37 -16.011 10.746 2.580 1.00 0.00 C ATOM 507 O GLN A 37 -15.847 9.533 2.437 1.00 0.00 O ATOM 508 CB GLN A 37 -14.549 11.090 4.578 1.00 0.00 C ATOM 509 CG GLN A 37 -14.446 11.394 6.068 1.00 0.00 C ATOM 510 CD GLN A 37 -14.792 12.830 6.424 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.579 13.760 5.638 1.00 0.00 O ATOM 512 NE2 GLN A 37 -15.329 13.019 7.620 1.00 0.00 N ATOM 0 H GLN A 37 -16.915 9.876 5.029 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.034 12.466 3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.311 10.038 4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.795 11.672 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -15.110 10.724 6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.431 11.180 6.404 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.488 12.224 8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -15.583 13.960 7.922 1.00 0.00 H new ATOM 521 N TYR A 38 -16.270 11.559 1.568 1.00 0.00 N ATOM 522 CA TYR A 38 -16.433 11.063 0.206 1.00 0.00 C ATOM 523 C TYR A 38 -15.721 11.967 -0.780 1.00 0.00 C ATOM 524 O TYR A 38 -15.576 13.164 -0.543 1.00 0.00 O ATOM 525 CB TYR A 38 -17.917 10.992 -0.166 1.00 0.00 C ATOM 526 CG TYR A 38 -18.704 9.930 0.575 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.779 8.632 0.088 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.382 10.231 1.752 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.506 7.663 0.751 1.00 0.00 C ATOM 530 CE2 TYR A 38 -20.107 9.265 2.423 1.00 0.00 C ATOM 531 CZ TYR A 38 -20.168 7.983 1.916 1.00 0.00 C ATOM 532 OH TYR A 38 -20.891 7.019 2.578 1.00 0.00 O ATOM 0 H TYR A 38 -16.373 12.569 1.662 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.998 10.064 0.161 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.373 11.963 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -18.001 10.807 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.260 8.376 -0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.341 11.235 2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.555 6.658 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.623 9.512 3.339 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.295 7.408 3.382 1.00 0.00 H new ATOM 542 N ILE A 39 -15.267 11.390 -1.880 1.00 0.00 N ATOM 543 CA ILE A 39 -14.675 12.172 -2.949 1.00 0.00 C ATOM 544 C ILE A 39 -15.784 12.838 -3.748 1.00 0.00 C ATOM 545 O ILE A 39 -16.591 12.163 -4.385 1.00 0.00 O ATOM 546 CB ILE A 39 -13.815 11.308 -3.897 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.791 10.488 -3.104 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.114 12.191 -4.921 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.809 11.327 -2.318 1.00 0.00 C ATOM 0 H ILE A 39 -15.297 10.386 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.021 12.916 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.471 10.615 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.322 9.829 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.238 9.851 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.511 11.571 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.858 12.730 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.471 12.905 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.118 10.674 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.250 11.967 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.350 11.945 -1.602 1.00 0.00 H new ATOM 561 N ARG A 40 -15.823 14.159 -3.707 1.00 0.00 N ATOM 562 CA ARG A 40 -16.919 14.901 -4.313 1.00 0.00 C ATOM 563 C ARG A 40 -16.665 15.124 -5.794 1.00 0.00 C ATOM 564 O ARG A 40 -17.566 14.969 -6.617 1.00 0.00 O ATOM 565 CB ARG A 40 -17.114 16.244 -3.604 1.00 0.00 C ATOM 566 CG ARG A 40 -18.258 17.097 -4.156 1.00 0.00 C ATOM 567 CD ARG A 40 -19.615 16.413 -4.014 1.00 0.00 C ATOM 568 NE ARG A 40 -19.827 15.383 -5.030 1.00 0.00 N ATOM 569 CZ ARG A 40 -20.870 14.554 -5.050 1.00 0.00 C ATOM 570 NH1 ARG A 40 -21.790 14.610 -4.096 1.00 0.00 N ATOM 571 NH2 ARG A 40 -20.981 13.663 -6.029 1.00 0.00 N ATOM 0 H ARG A 40 -15.112 14.739 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.829 14.311 -4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.296 16.058 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.188 16.814 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.280 18.053 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.071 17.313 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.691 15.964 -3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.405 17.160 -4.087 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.132 15.293 -5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.701 15.290 -3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.586 13.973 -4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.270 13.616 -6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.777 13.025 -6.050 1.00 0.00 H new ATOM 585 N LEU A 41 -15.440 15.482 -6.128 1.00 0.00 N ATOM 586 CA LEU A 41 -15.087 15.748 -7.510 1.00 0.00 C ATOM 587 C LEU A 41 -13.592 15.575 -7.718 1.00 0.00 C ATOM 588 O LEU A 41 -12.787 16.056 -6.918 1.00 0.00 O ATOM 589 CB LEU A 41 -15.507 17.170 -7.903 1.00 0.00 C ATOM 590 CG LEU A 41 -15.261 17.550 -9.367 1.00 0.00 C ATOM 591 CD1 LEU A 41 -16.098 16.683 -10.294 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.565 19.024 -9.588 1.00 0.00 C ATOM 0 H LEU A 41 -14.674 15.595 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.615 15.035 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.569 17.289 -7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.973 17.876 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.210 17.376 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.909 16.969 -11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.831 15.636 -10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.155 16.822 -10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.386 19.280 -10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.608 19.222 -9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.919 19.628 -8.951 1.00 0.00 H new ATOM 604 N VAL A 42 -13.231 14.875 -8.780 1.00 0.00 N ATOM 605 CA VAL A 42 -11.838 14.726 -9.163 1.00 0.00 C ATOM 606 C VAL A 42 -11.511 15.741 -10.245 1.00 0.00 C ATOM 607 O VAL A 42 -12.306 15.962 -11.160 1.00 0.00 O ATOM 608 CB VAL A 42 -11.533 13.295 -9.664 1.00 0.00 C ATOM 609 CG1 VAL A 42 -10.130 13.198 -10.245 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.691 12.301 -8.528 1.00 0.00 C ATOM 0 H VAL A 42 -13.889 14.398 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.217 14.902 -8.285 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.244 13.058 -10.455 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.948 12.179 -10.588 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.036 13.886 -11.085 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.400 13.459 -9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.474 11.296 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.999 12.554 -7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.713 12.338 -8.152 1.00 0.00 H new ATOM 620 N GLU A 43 -10.354 16.361 -10.126 1.00 0.00 N ATOM 621 CA GLU A 43 -9.966 17.429 -11.023 1.00 0.00 C ATOM 622 C GLU A 43 -9.385 16.827 -12.298 1.00 0.00 C ATOM 623 O GLU A 43 -8.624 15.862 -12.244 1.00 0.00 O ATOM 624 CB GLU A 43 -8.949 18.325 -10.313 1.00 0.00 C ATOM 625 CG GLU A 43 -9.064 19.792 -10.675 1.00 0.00 C ATOM 626 CD GLU A 43 -8.581 20.695 -9.560 1.00 0.00 C ATOM 627 OE1 GLU A 43 -9.341 20.902 -8.586 1.00 0.00 O ATOM 628 OE2 GLU A 43 -7.442 21.199 -9.654 1.00 0.00 O ATOM 0 H GLU A 43 -9.662 16.140 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.829 18.036 -11.298 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.073 18.216 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.944 17.979 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.484 19.989 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.103 20.027 -10.907 1.00 0.00 H new ATOM 635 N PRO A 44 -9.760 17.383 -13.464 1.00 0.00 N ATOM 636 CA PRO A 44 -9.389 16.839 -14.783 1.00 0.00 C ATOM 637 C PRO A 44 -7.882 16.733 -14.987 1.00 0.00 C ATOM 638 O PRO A 44 -7.412 15.969 -15.832 1.00 0.00 O ATOM 639 CB PRO A 44 -9.991 17.845 -15.772 1.00 0.00 C ATOM 640 CG PRO A 44 -10.227 19.076 -14.969 1.00 0.00 C ATOM 641 CD PRO A 44 -10.582 18.594 -13.596 1.00 0.00 C ATOM 0 HA PRO A 44 -9.756 15.820 -14.907 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.311 18.039 -16.602 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.920 17.469 -16.202 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.338 19.707 -14.946 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.032 19.675 -15.395 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.342 19.333 -12.831 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.646 18.375 -13.505 1.00 0.00 H new ATOM 649 N GLY A 45 -7.134 17.510 -14.224 1.00 0.00 N ATOM 650 CA GLY A 45 -5.688 17.454 -14.294 1.00 0.00 C ATOM 651 C GLY A 45 -5.075 17.042 -12.975 1.00 0.00 C ATOM 652 O GLY A 45 -4.294 17.790 -12.391 1.00 0.00 O ATOM 0 H GLY A 45 -7.503 18.183 -13.553 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.389 16.748 -15.069 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.301 18.430 -14.585 1.00 0.00 H new ATOM 656 N SER A 46 -5.432 15.861 -12.491 1.00 0.00 N ATOM 657 CA SER A 46 -4.969 15.416 -11.194 1.00 0.00 C ATOM 658 C SER A 46 -4.201 14.105 -11.283 1.00 0.00 C ATOM 659 O SER A 46 -4.429 13.291 -12.181 1.00 0.00 O ATOM 660 CB SER A 46 -6.169 15.227 -10.274 1.00 0.00 C ATOM 661 OG SER A 46 -7.064 14.260 -10.797 1.00 0.00 O ATOM 0 H SER A 46 -6.038 15.200 -12.977 1.00 0.00 H new ATOM 0 HA SER A 46 -4.293 16.176 -10.801 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.829 14.916 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.688 16.177 -10.148 1.00 0.00 H new ATOM 0 HG SER A 46 -7.715 14.700 -11.383 1.00 0.00 H new ATOM 667 N PRO A 47 -3.252 13.909 -10.359 1.00 0.00 N ATOM 668 CA PRO A 47 -2.642 12.607 -10.112 1.00 0.00 C ATOM 669 C PRO A 47 -3.648 11.633 -9.504 1.00 0.00 C ATOM 670 O PRO A 47 -3.408 10.430 -9.456 1.00 0.00 O ATOM 671 CB PRO A 47 -1.514 12.895 -9.109 1.00 0.00 C ATOM 672 CG PRO A 47 -1.341 14.373 -9.105 1.00 0.00 C ATOM 673 CD PRO A 47 -2.664 14.957 -9.510 1.00 0.00 C ATOM 0 HA PRO A 47 -2.284 12.146 -11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.772 12.529 -8.115 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.592 12.394 -9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.047 14.727 -8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.555 14.674 -9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.291 15.172 -8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.541 15.893 -10.054 1.00 0.00 H new ATOM 681 N ALA A 48 -4.776 12.171 -9.043 1.00 0.00 N ATOM 682 CA ALA A 48 -5.800 11.379 -8.373 1.00 0.00 C ATOM 683 C ALA A 48 -6.358 10.294 -9.281 1.00 0.00 C ATOM 684 O ALA A 48 -6.377 9.121 -8.907 1.00 0.00 O ATOM 685 CB ALA A 48 -6.922 12.278 -7.879 1.00 0.00 C ATOM 0 H ALA A 48 -5.003 13.162 -9.124 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.331 10.888 -7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.680 11.674 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.521 13.008 -7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.371 12.798 -8.725 1.00 0.00 H new ATOM 691 N GLU A 49 -6.786 10.668 -10.482 1.00 0.00 N ATOM 692 CA GLU A 49 -7.327 9.684 -11.411 1.00 0.00 C ATOM 693 C GLU A 49 -6.233 8.733 -11.889 1.00 0.00 C ATOM 694 O GLU A 49 -6.500 7.573 -12.199 1.00 0.00 O ATOM 695 CB GLU A 49 -8.031 10.348 -12.595 1.00 0.00 C ATOM 696 CG GLU A 49 -7.217 11.409 -13.312 1.00 0.00 C ATOM 697 CD GLU A 49 -7.897 11.883 -14.578 1.00 0.00 C ATOM 698 OE1 GLU A 49 -9.122 12.140 -14.543 1.00 0.00 O ATOM 699 OE2 GLU A 49 -7.221 11.969 -15.627 1.00 0.00 O ATOM 0 H GLU A 49 -6.770 11.627 -10.830 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.077 9.103 -10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.307 9.576 -13.313 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.957 10.800 -12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.059 12.257 -12.646 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.233 11.008 -13.557 1.00 0.00 H new ATOM 706 N LYS A 50 -4.998 9.223 -11.930 1.00 0.00 N ATOM 707 CA LYS A 50 -3.859 8.387 -12.296 1.00 0.00 C ATOM 708 C LYS A 50 -3.586 7.352 -11.206 1.00 0.00 C ATOM 709 O LYS A 50 -3.180 6.227 -11.492 1.00 0.00 O ATOM 710 CB LYS A 50 -2.610 9.242 -12.531 1.00 0.00 C ATOM 711 CG LYS A 50 -2.783 10.275 -13.630 1.00 0.00 C ATOM 712 CD LYS A 50 -1.466 10.945 -13.993 1.00 0.00 C ATOM 713 CE LYS A 50 -0.862 11.700 -12.820 1.00 0.00 C ATOM 714 NZ LYS A 50 0.346 12.466 -13.222 1.00 0.00 N ATOM 0 H LYS A 50 -4.760 10.191 -11.715 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.103 7.868 -13.223 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.347 9.750 -11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.775 8.589 -12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.203 9.796 -14.515 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.498 11.032 -13.307 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.760 10.190 -14.339 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.628 11.634 -14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.604 12.382 -12.406 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.600 10.996 -12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.730 12.968 -12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.064 11.812 -13.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.091 13.155 -13.958 1.00 0.00 H new ATOM 728 N ALA A 51 -3.822 7.744 -9.957 1.00 0.00 N ATOM 729 CA ALA A 51 -3.635 6.853 -8.820 1.00 0.00 C ATOM 730 C ALA A 51 -4.771 5.834 -8.733 1.00 0.00 C ATOM 731 O ALA A 51 -4.650 4.808 -8.060 1.00 0.00 O ATOM 732 CB ALA A 51 -3.542 7.660 -7.532 1.00 0.00 C ATOM 0 H ALA A 51 -4.145 8.679 -9.708 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.702 6.306 -8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.402 6.984 -6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.696 8.345 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.461 8.229 -7.392 1.00 0.00 H new ATOM 738 N GLY A 52 -5.870 6.123 -9.420 1.00 0.00 N ATOM 739 CA GLY A 52 -7.000 5.214 -9.431 1.00 0.00 C ATOM 740 C GLY A 52 -8.116 5.670 -8.517 1.00 0.00 C ATOM 741 O GLY A 52 -9.004 4.887 -8.173 1.00 0.00 O ATOM 0 H GLY A 52 -5.999 6.972 -9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.381 5.125 -10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.667 4.222 -9.127 1.00 0.00 H new ATOM 745 N LEU A 53 -8.061 6.931 -8.114 1.00 0.00 N ATOM 746 CA LEU A 53 -9.082 7.514 -7.259 1.00 0.00 C ATOM 747 C LEU A 53 -10.185 8.120 -8.120 1.00 0.00 C ATOM 748 O LEU A 53 -9.911 8.900 -9.036 1.00 0.00 O ATOM 749 CB LEU A 53 -8.437 8.565 -6.345 1.00 0.00 C ATOM 750 CG LEU A 53 -9.322 9.136 -5.237 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.468 9.504 -4.037 1.00 0.00 C ATOM 752 CD2 LEU A 53 -10.077 10.361 -5.728 1.00 0.00 C ATOM 0 H LEU A 53 -7.312 7.575 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.532 6.746 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.555 8.121 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.090 9.391 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.048 8.376 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.103 9.911 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.957 8.615 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.731 10.251 -4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.700 10.751 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.366 11.126 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.707 10.085 -6.574 1.00 0.00 H new ATOM 764 N LEU A 54 -11.426 7.753 -7.832 1.00 0.00 N ATOM 765 CA LEU A 54 -12.554 8.154 -8.661 1.00 0.00 C ATOM 766 C LEU A 54 -13.390 9.225 -7.975 1.00 0.00 C ATOM 767 O LEU A 54 -13.364 9.365 -6.750 1.00 0.00 O ATOM 768 CB LEU A 54 -13.428 6.938 -8.978 1.00 0.00 C ATOM 769 CG LEU A 54 -12.730 5.821 -9.752 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.662 4.635 -9.932 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.248 6.332 -11.101 1.00 0.00 C ATOM 0 H LEU A 54 -11.677 7.177 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.160 8.571 -9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.806 6.528 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.292 7.271 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.864 5.492 -9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.148 3.849 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.960 4.255 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.547 4.949 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.753 5.524 -11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.100 6.687 -11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.545 7.151 -10.950 1.00 0.00 H new ATOM 783 N ALA A 55 -14.146 9.967 -8.778 1.00 0.00 N ATOM 784 CA ALA A 55 -14.966 11.064 -8.278 1.00 0.00 C ATOM 785 C ALA A 55 -16.270 10.553 -7.672 1.00 0.00 C ATOM 786 O ALA A 55 -17.362 10.977 -8.061 1.00 0.00 O ATOM 787 CB ALA A 55 -15.253 12.059 -9.394 1.00 0.00 C ATOM 0 H ALA A 55 -14.207 9.826 -9.786 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.408 11.568 -7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.866 12.873 -9.007 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.314 12.461 -9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.785 11.556 -10.202 1.00 0.00 H new ATOM 793 N GLY A 56 -16.143 9.631 -6.732 1.00 0.00 N ATOM 794 CA GLY A 56 -17.300 9.098 -6.045 1.00 0.00 C ATOM 795 C GLY A 56 -16.939 7.956 -5.117 1.00 0.00 C ATOM 796 O GLY A 56 -17.756 7.065 -4.873 1.00 0.00 O ATOM 0 H GLY A 56 -15.251 9.239 -6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.778 9.892 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.028 8.752 -6.778 1.00 0.00 H new ATOM 800 N ASP A 57 -15.716 7.976 -4.605 1.00 0.00 N ATOM 801 CA ASP A 57 -15.245 6.936 -3.696 1.00 0.00 C ATOM 802 C ASP A 57 -15.329 7.408 -2.256 1.00 0.00 C ATOM 803 O ASP A 57 -15.461 8.604 -1.989 1.00 0.00 O ATOM 804 CB ASP A 57 -13.793 6.547 -3.995 1.00 0.00 C ATOM 805 CG ASP A 57 -13.620 5.836 -5.319 1.00 0.00 C ATOM 806 OD1 ASP A 57 -14.447 4.960 -5.648 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.634 6.128 -6.024 1.00 0.00 O ATOM 0 H ASP A 57 -15.029 8.703 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.887 6.068 -3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.176 7.446 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.425 5.904 -3.195 1.00 0.00 H new ATOM 812 N ARG A 58 -15.257 6.464 -1.333 1.00 0.00 N ATOM 813 CA ARG A 58 -15.179 6.792 0.080 1.00 0.00 C ATOM 814 C ARG A 58 -13.776 6.512 0.597 1.00 0.00 C ATOM 815 O ARG A 58 -13.218 5.438 0.360 1.00 0.00 O ATOM 816 CB ARG A 58 -16.220 6.014 0.896 1.00 0.00 C ATOM 817 CG ARG A 58 -16.210 4.516 0.655 1.00 0.00 C ATOM 818 CD ARG A 58 -17.231 3.806 1.525 1.00 0.00 C ATOM 819 NE ARG A 58 -16.843 3.787 2.937 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.687 3.507 3.930 1.00 0.00 C ATOM 821 NH1 ARG A 58 -18.983 3.358 3.680 1.00 0.00 N ATOM 822 NH2 ARG A 58 -17.243 3.407 5.178 1.00 0.00 N ATOM 0 H ARG A 58 -15.251 5.465 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.399 7.853 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.047 6.201 1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.212 6.401 0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.422 4.314 -0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.216 4.120 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.197 4.300 1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.357 2.783 1.172 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.874 4.000 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.333 3.458 2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.628 3.144 4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.253 3.545 5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.892 3.193 5.935 1.00 0.00 H new ATOM 836 N LEU A 59 -13.205 7.489 1.278 1.00 0.00 N ATOM 837 CA LEU A 59 -11.867 7.353 1.827 1.00 0.00 C ATOM 838 C LEU A 59 -11.935 6.649 3.171 1.00 0.00 C ATOM 839 O LEU A 59 -12.460 7.200 4.139 1.00 0.00 O ATOM 840 CB LEU A 59 -11.217 8.729 1.983 1.00 0.00 C ATOM 841 CG LEU A 59 -9.780 8.719 2.507 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.845 8.058 1.506 1.00 0.00 C ATOM 843 CD2 LEU A 59 -9.323 10.132 2.814 1.00 0.00 C ATOM 0 H LEU A 59 -13.648 8.388 1.465 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.260 6.759 1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.230 9.230 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.828 9.327 2.659 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.753 8.138 3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.829 8.062 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.164 7.030 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.872 8.608 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.299 10.110 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.367 10.734 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.975 10.569 3.571 1.00 0.00 H new ATOM 855 N VAL A 60 -11.423 5.430 3.230 1.00 0.00 N ATOM 856 CA VAL A 60 -11.490 4.659 4.457 1.00 0.00 C ATOM 857 C VAL A 60 -10.273 4.917 5.340 1.00 0.00 C ATOM 858 O VAL A 60 -10.406 5.070 6.554 1.00 0.00 O ATOM 859 CB VAL A 60 -11.646 3.145 4.184 1.00 0.00 C ATOM 860 CG1 VAL A 60 -13.026 2.853 3.614 1.00 0.00 C ATOM 861 CG2 VAL A 60 -10.571 2.646 3.236 1.00 0.00 C ATOM 0 H VAL A 60 -10.962 4.959 2.452 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.381 4.993 4.989 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.533 2.617 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -13.123 1.784 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.788 3.167 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.157 3.399 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.706 1.578 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.645 3.180 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.589 2.821 3.675 1.00 0.00 H new ATOM 871 N GLU A 61 -9.093 5.008 4.736 1.00 0.00 N ATOM 872 CA GLU A 61 -7.877 5.224 5.506 1.00 0.00 C ATOM 873 C GLU A 61 -6.793 5.922 4.688 1.00 0.00 C ATOM 874 O GLU A 61 -6.779 5.861 3.457 1.00 0.00 O ATOM 875 CB GLU A 61 -7.362 3.896 6.076 1.00 0.00 C ATOM 876 CG GLU A 61 -7.133 2.804 5.047 1.00 0.00 C ATOM 877 CD GLU A 61 -6.816 1.469 5.692 1.00 0.00 C ATOM 878 OE1 GLU A 61 -7.765 0.712 5.993 1.00 0.00 O ATOM 879 OE2 GLU A 61 -5.624 1.181 5.911 1.00 0.00 O ATOM 0 H GLU A 61 -8.955 4.936 3.728 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.128 5.888 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.425 4.082 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.076 3.534 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.021 2.703 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.313 3.092 4.390 1.00 0.00 H new ATOM 886 N VAL A 62 -5.902 6.606 5.395 1.00 0.00 N ATOM 887 CA VAL A 62 -4.776 7.295 4.782 1.00 0.00 C ATOM 888 C VAL A 62 -3.482 6.860 5.466 1.00 0.00 C ATOM 889 O VAL A 62 -3.433 6.750 6.694 1.00 0.00 O ATOM 890 CB VAL A 62 -4.934 8.839 4.858 1.00 0.00 C ATOM 891 CG1 VAL A 62 -5.147 9.297 6.284 1.00 0.00 C ATOM 892 CG2 VAL A 62 -3.728 9.553 4.265 1.00 0.00 C ATOM 0 H VAL A 62 -5.941 6.698 6.410 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.744 7.024 3.727 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.814 9.098 4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.254 10.381 6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.050 8.835 6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.291 9.005 6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.873 10.631 4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.831 9.271 4.816 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.615 9.269 3.219 1.00 0.00 H new ATOM 902 N ASN A 63 -2.471 6.549 4.656 1.00 0.00 N ATOM 903 CA ASN A 63 -1.150 6.110 5.132 1.00 0.00 C ATOM 904 C ASN A 63 -1.181 4.685 5.677 1.00 0.00 C ATOM 905 O ASN A 63 -0.255 3.912 5.439 1.00 0.00 O ATOM 906 CB ASN A 63 -0.565 7.058 6.189 1.00 0.00 C ATOM 907 CG ASN A 63 -0.035 8.346 5.594 1.00 0.00 C ATOM 908 OD1 ASN A 63 -0.728 9.361 5.555 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.195 8.309 5.111 1.00 0.00 N ATOM 0 H ASN A 63 -2.542 6.594 3.639 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.499 6.132 4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.334 7.293 6.925 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.240 6.550 6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.602 9.143 4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.737 7.447 5.163 1.00 0.00 H new ATOM 916 N GLY A 64 -2.242 4.338 6.390 1.00 0.00 N ATOM 917 CA GLY A 64 -2.353 3.006 6.947 1.00 0.00 C ATOM 918 C GLY A 64 -3.291 2.924 8.137 1.00 0.00 C ATOM 919 O GLY A 64 -3.479 1.848 8.702 1.00 0.00 O ATOM 0 H GLY A 64 -3.028 4.955 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.702 2.324 6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.363 2.664 7.250 1.00 0.00 H new ATOM 923 N GLU A 65 -3.861 4.052 8.550 1.00 0.00 N ATOM 924 CA GLU A 65 -4.837 4.044 9.630 1.00 0.00 C ATOM 925 C GLU A 65 -6.173 4.605 9.157 1.00 0.00 C ATOM 926 O GLU A 65 -6.225 5.593 8.417 1.00 0.00 O ATOM 927 CB GLU A 65 -4.313 4.824 10.837 1.00 0.00 C ATOM 928 CG GLU A 65 -3.955 6.270 10.547 1.00 0.00 C ATOM 929 CD GLU A 65 -3.241 6.918 11.716 1.00 0.00 C ATOM 930 OE1 GLU A 65 -2.153 6.434 12.092 1.00 0.00 O ATOM 931 OE2 GLU A 65 -3.756 7.912 12.267 1.00 0.00 O ATOM 0 H GLU A 65 -3.666 4.973 8.157 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.997 3.011 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.067 4.801 11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.431 4.316 11.226 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.320 6.317 9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.862 6.830 10.319 1.00 0.00 H new ATOM 938 N ASN A 66 -7.244 3.948 9.588 1.00 0.00 N ATOM 939 CA ASN A 66 -8.604 4.282 9.174 1.00 0.00 C ATOM 940 C ASN A 66 -8.986 5.698 9.603 1.00 0.00 C ATOM 941 O ASN A 66 -8.825 6.066 10.765 1.00 0.00 O ATOM 942 CB ASN A 66 -9.572 3.263 9.774 1.00 0.00 C ATOM 943 CG ASN A 66 -11.010 3.510 9.375 1.00 0.00 C ATOM 944 OD1 ASN A 66 -11.486 2.987 8.372 1.00 0.00 O ATOM 945 ND2 ASN A 66 -11.723 4.284 10.176 1.00 0.00 N ATOM 0 H ASN A 66 -7.194 3.164 10.238 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.658 4.247 8.086 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.279 2.262 9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.492 3.290 10.861 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.705 4.464 9.969 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.291 4.700 11.001 1.00 0.00 H new ATOM 952 N VAL A 67 -9.497 6.485 8.662 1.00 0.00 N ATOM 953 CA VAL A 67 -9.823 7.884 8.926 1.00 0.00 C ATOM 954 C VAL A 67 -11.283 8.219 8.642 1.00 0.00 C ATOM 955 O VAL A 67 -11.690 9.368 8.783 1.00 0.00 O ATOM 956 CB VAL A 67 -8.939 8.836 8.097 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.487 8.699 8.506 1.00 0.00 C ATOM 958 CG2 VAL A 67 -9.107 8.575 6.605 1.00 0.00 C ATOM 0 H VAL A 67 -9.695 6.179 7.709 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.634 8.026 9.990 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.259 9.859 8.296 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.876 9.378 7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.382 8.947 9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.157 7.674 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.473 9.260 6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.820 7.548 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.148 8.731 6.323 1.00 0.00 H new ATOM 968 N GLU A 68 -12.079 7.233 8.264 1.00 0.00 N ATOM 969 CA GLU A 68 -13.483 7.490 7.959 1.00 0.00 C ATOM 970 C GLU A 68 -14.282 7.790 9.230 1.00 0.00 C ATOM 971 O GLU A 68 -15.476 8.083 9.166 1.00 0.00 O ATOM 972 CB GLU A 68 -14.105 6.307 7.224 1.00 0.00 C ATOM 973 CG GLU A 68 -14.064 5.014 8.012 1.00 0.00 C ATOM 974 CD GLU A 68 -15.028 3.989 7.467 1.00 0.00 C ATOM 975 OE1 GLU A 68 -14.837 3.528 6.325 1.00 0.00 O ATOM 976 OE2 GLU A 68 -16.001 3.666 8.173 1.00 0.00 O ATOM 0 H GLU A 68 -11.787 6.261 8.161 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.520 8.367 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.142 6.544 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.583 6.163 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.053 4.608 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.303 5.218 9.056 1.00 0.00 H new ATOM 983 N LYS A 69 -13.619 7.707 10.379 1.00 0.00 N ATOM 984 CA LYS A 69 -14.265 7.986 11.657 1.00 0.00 C ATOM 985 C LYS A 69 -13.803 9.340 12.195 1.00 0.00 C ATOM 986 O LYS A 69 -14.218 9.764 13.273 1.00 0.00 O ATOM 987 CB LYS A 69 -13.933 6.896 12.688 1.00 0.00 C ATOM 988 CG LYS A 69 -13.849 5.484 12.118 1.00 0.00 C ATOM 989 CD LYS A 69 -15.180 4.966 11.592 1.00 0.00 C ATOM 990 CE LYS A 69 -16.158 4.670 12.717 1.00 0.00 C ATOM 991 NZ LYS A 69 -17.369 3.961 12.224 1.00 0.00 N ATOM 0 H LYS A 69 -12.635 7.449 10.452 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.342 8.002 11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.981 7.140 13.160 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.691 6.913 13.471 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.117 5.469 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.485 4.808 12.892 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.615 5.703 10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.012 4.060 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.665 4.063 13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.453 5.603 13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.114 4.001 12.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.709 4.418 11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.133 2.968 12.024 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.933 10.002 11.440 1.00 0.00 N ATOM 1006 CA GLU A 70 -12.347 11.267 11.860 1.00 0.00 C ATOM 1007 C GLU A 70 -13.180 12.446 11.381 1.00 0.00 C ATOM 1008 O GLU A 70 -14.086 12.292 10.565 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.937 11.394 11.290 1.00 0.00 C ATOM 1010 CG GLU A 70 -10.010 10.264 11.690 1.00 0.00 C ATOM 1011 CD GLU A 70 -9.705 10.255 13.173 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -9.701 11.336 13.796 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.438 9.167 13.719 1.00 0.00 O ATOM 0 H GLU A 70 -12.617 9.679 10.526 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.318 11.279 12.950 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.997 11.434 10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.506 12.339 11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.462 9.312 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.078 10.350 11.132 1.00 0.00 H new ATOM 1020 N THR A 71 -12.859 13.628 11.887 1.00 0.00 N ATOM 1021 CA THR A 71 -13.497 14.848 11.427 1.00 0.00 C ATOM 1022 C THR A 71 -13.013 15.195 10.026 1.00 0.00 C ATOM 1023 O THR A 71 -11.971 14.697 9.593 1.00 0.00 O ATOM 1024 CB THR A 71 -13.195 16.040 12.360 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.803 16.372 12.302 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.563 15.713 13.794 1.00 0.00 C ATOM 0 H THR A 71 -12.160 13.766 12.617 1.00 0.00 H new ATOM 0 HA THR A 71 -14.572 14.668 11.426 1.00 0.00 H new ATOM 0 HB THR A 71 -13.793 16.887 12.023 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.623 17.130 12.896 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.341 16.569 14.431 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.627 15.483 13.853 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.987 14.851 14.130 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.738 16.057 9.327 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.345 16.444 7.978 1.00 0.00 C ATOM 1036 C HIS A 72 -11.937 17.034 7.987 1.00 0.00 C ATOM 1037 O HIS A 72 -11.119 16.726 7.121 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.349 17.443 7.390 1.00 0.00 C ATOM 1039 CG HIS A 72 -13.976 17.942 6.028 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -13.986 17.144 4.903 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.573 19.164 5.615 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.604 17.856 3.860 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.349 19.084 4.267 1.00 0.00 N ATOM 0 H HIS A 72 -14.593 16.498 9.666 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.343 15.555 7.347 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.330 16.970 7.338 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.440 18.293 8.066 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.248 16.158 4.881 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.450 20.041 6.234 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.515 17.495 2.846 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.655 17.852 8.994 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.348 18.484 9.134 1.00 0.00 C ATOM 1054 C GLN A 73 -9.252 17.439 9.328 1.00 0.00 C ATOM 1055 O GLN A 73 -8.209 17.493 8.673 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.355 19.445 10.321 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.003 20.081 10.596 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.004 20.940 11.844 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -8.728 20.458 12.943 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -9.306 22.219 11.684 1.00 0.00 N ATOM 0 H GLN A 73 -12.318 18.094 9.730 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.141 19.038 8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.087 20.232 10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.682 18.908 11.211 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.252 19.298 10.700 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.712 20.691 9.741 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.529 22.578 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.316 22.845 12.489 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.500 16.485 10.222 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.510 15.466 10.551 1.00 0.00 C ATOM 1071 C GLN A 74 -8.134 14.654 9.320 1.00 0.00 C ATOM 1072 O GLN A 74 -6.955 14.397 9.070 1.00 0.00 O ATOM 1073 CB GLN A 74 -9.023 14.533 11.650 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.069 15.166 13.034 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.694 15.503 13.585 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.766 15.827 12.844 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.553 15.417 14.896 1.00 0.00 N ATOM 0 H GLN A 74 -10.379 16.397 10.731 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.622 15.981 10.917 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.024 14.193 11.385 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.386 13.649 11.688 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.669 16.075 12.991 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.572 14.485 13.721 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.346 15.145 15.477 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.651 15.623 15.327 1.00 0.00 H new ATOM 1086 N VAL A 75 -9.142 14.268 8.550 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.936 13.468 7.351 1.00 0.00 C ATOM 1088 C VAL A 75 -8.073 14.213 6.334 1.00 0.00 C ATOM 1089 O VAL A 75 -7.074 13.682 5.847 1.00 0.00 O ATOM 1090 CB VAL A 75 -10.280 13.084 6.698 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -10.061 12.202 5.480 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -11.179 12.387 7.704 1.00 0.00 C ATOM 0 H VAL A 75 -10.118 14.498 8.737 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.419 12.558 7.657 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.770 14.000 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.024 11.946 5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.457 12.737 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.545 11.290 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -12.123 12.123 7.227 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.689 11.482 8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.371 13.055 8.544 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.441 15.456 6.045 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.737 16.250 5.041 1.00 0.00 C ATOM 1104 C VAL A 76 -6.314 16.579 5.500 1.00 0.00 C ATOM 1105 O VAL A 76 -5.372 16.574 4.701 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.502 17.557 4.724 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.764 18.389 3.689 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.908 17.247 4.238 1.00 0.00 C ATOM 0 H VAL A 76 -9.222 15.937 6.491 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.683 15.650 4.132 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.566 18.137 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.326 19.301 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.776 18.648 4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.660 17.815 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.431 18.178 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.855 16.640 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.448 16.700 5.011 1.00 0.00 H new ATOM 1118 N SER A 77 -6.163 16.840 6.793 1.00 0.00 N ATOM 1119 CA SER A 77 -4.871 17.201 7.361 1.00 0.00 C ATOM 1120 C SER A 77 -3.851 16.080 7.172 1.00 0.00 C ATOM 1121 O SER A 77 -2.698 16.337 6.828 1.00 0.00 O ATOM 1122 CB SER A 77 -5.020 17.531 8.850 1.00 0.00 C ATOM 1123 OG SER A 77 -3.803 18.014 9.399 1.00 0.00 O ATOM 0 H SER A 77 -6.925 16.808 7.471 1.00 0.00 H new ATOM 0 HA SER A 77 -4.507 18.083 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.802 18.279 8.982 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.337 16.640 9.392 1.00 0.00 H new ATOM 0 HG SER A 77 -3.931 18.217 10.349 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.281 14.841 7.388 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.386 13.690 7.285 1.00 0.00 C ATOM 1131 C ARG A 78 -2.918 13.473 5.847 1.00 0.00 C ATOM 1132 O ARG A 78 -1.771 13.094 5.612 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.060 12.427 7.827 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.408 12.521 9.302 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.964 11.210 9.840 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.408 11.343 11.230 1.00 0.00 N ATOM 1137 CZ ARG A 78 -6.079 10.406 11.908 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -6.335 9.226 11.357 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -6.475 10.646 13.151 1.00 0.00 N ATOM 0 H ARG A 78 -5.242 14.607 7.635 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.507 13.902 7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.969 12.235 7.257 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.399 11.574 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.518 12.797 9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.140 13.314 9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.800 10.887 9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.200 10.436 9.774 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.189 12.213 11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.019 9.027 10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.848 8.518 11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.268 11.544 13.588 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.987 9.933 13.670 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.806 13.715 4.890 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.468 13.564 3.476 1.00 0.00 C ATOM 1155 C ILE A 79 -2.449 14.621 3.051 1.00 0.00 C ATOM 1156 O ILE A 79 -1.473 14.324 2.358 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.717 13.681 2.578 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.828 12.760 3.079 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.366 13.344 1.134 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.137 12.929 2.336 1.00 0.00 C ATOM 0 H ILE A 79 -4.765 14.016 5.065 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.040 12.569 3.353 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.074 14.710 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.499 11.725 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.995 12.949 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.258 13.431 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.604 14.035 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.985 12.324 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.879 12.243 2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.489 13.954 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.986 12.711 1.279 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.682 15.861 3.476 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.784 16.971 3.154 1.00 0.00 C ATOM 1174 C ARG A 80 -0.447 16.830 3.878 1.00 0.00 C ATOM 1175 O ARG A 80 0.570 17.347 3.420 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.425 18.314 3.517 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.596 18.696 2.631 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.155 20.059 3.010 1.00 0.00 C ATOM 1179 NE ARG A 80 -5.211 20.495 2.101 1.00 0.00 N ATOM 1180 CZ ARG A 80 -5.961 21.576 2.295 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -5.758 22.351 3.352 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -6.901 21.900 1.423 1.00 0.00 N ATOM 0 H ARG A 80 -3.486 16.124 4.045 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.603 16.941 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.763 18.276 4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.667 19.095 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.277 18.708 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.380 17.943 2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.547 20.019 4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.350 20.793 3.007 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.384 19.936 1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.024 22.119 4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.336 23.179 3.496 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.053 21.320 0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.474 22.730 1.576 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.471 16.111 4.997 1.00 0.00 N ATOM 1197 CA ALA A 81 0.690 15.962 5.877 1.00 0.00 C ATOM 1198 C ALA A 81 1.903 15.379 5.157 1.00 0.00 C ATOM 1199 O ALA A 81 3.047 15.632 5.542 1.00 0.00 O ATOM 1200 CB ALA A 81 0.319 15.079 7.059 1.00 0.00 C ATOM 0 H ALA A 81 -1.299 15.612 5.322 1.00 0.00 H new ATOM 0 HA ALA A 81 0.970 16.958 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.182 14.967 7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.500 15.538 7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.009 14.099 6.698 1.00 0.00 H new ATOM 1206 N ALA A 82 1.651 14.602 4.113 1.00 0.00 N ATOM 1207 CA ALA A 82 2.717 13.930 3.385 1.00 0.00 C ATOM 1208 C ALA A 82 3.556 14.909 2.575 1.00 0.00 C ATOM 1209 O ALA A 82 4.734 14.663 2.319 1.00 0.00 O ATOM 1210 CB ALA A 82 2.132 12.864 2.488 1.00 0.00 C ATOM 0 H ALA A 82 0.715 14.421 3.751 1.00 0.00 H new ATOM 0 HA ALA A 82 3.380 13.464 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.935 12.364 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.594 12.134 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.445 13.323 1.777 1.00 0.00 H new ATOM 1216 N LEU A 83 2.921 15.993 2.153 1.00 0.00 N ATOM 1217 CA LEU A 83 3.584 17.105 1.460 1.00 0.00 C ATOM 1218 C LEU A 83 4.011 16.760 0.028 1.00 0.00 C ATOM 1219 O LEU A 83 4.277 17.660 -0.769 1.00 0.00 O ATOM 1220 CB LEU A 83 4.793 17.611 2.261 1.00 0.00 C ATOM 1221 CG LEU A 83 4.462 18.247 3.611 1.00 0.00 C ATOM 1222 CD1 LEU A 83 5.737 18.664 4.324 1.00 0.00 C ATOM 1223 CD2 LEU A 83 3.539 19.441 3.422 1.00 0.00 C ATOM 0 H LEU A 83 1.919 16.133 2.280 1.00 0.00 H new ATOM 0 HA LEU A 83 2.839 17.897 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.473 16.775 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.329 18.342 1.655 1.00 0.00 H new ATOM 0 HG LEU A 83 3.948 17.510 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.486 19.115 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.365 17.788 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.276 19.388 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.313 19.883 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.028 20.183 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.614 19.114 2.947 1.00 0.00 H new ATOM 1235 N ASN A 84 4.084 15.476 -0.303 1.00 0.00 N ATOM 1236 CA ASN A 84 4.459 15.066 -1.655 1.00 0.00 C ATOM 1237 C ASN A 84 3.800 13.751 -2.051 1.00 0.00 C ATOM 1238 O ASN A 84 3.139 13.675 -3.080 1.00 0.00 O ATOM 1239 CB ASN A 84 5.978 14.937 -1.792 1.00 0.00 C ATOM 1240 CG ASN A 84 6.409 14.579 -3.206 1.00 0.00 C ATOM 1241 OD1 ASN A 84 5.704 15.104 -4.200 1.00 0.00 O flip ATOM 1242 ND2 ASN A 84 7.382 13.855 -3.405 1.00 0.00 N flip ATOM 0 H ASN A 84 3.891 14.706 0.338 1.00 0.00 H new ATOM 0 HA ASN A 84 4.104 15.846 -2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.447 15.877 -1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.338 14.174 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.900 13.469 -2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.671 13.640 -4.359 1.00 0.00 H new ATOM 1249 N ALA A 85 3.977 12.719 -1.245 1.00 0.00 N ATOM 1250 CA ALA A 85 3.451 11.404 -1.593 1.00 0.00 C ATOM 1251 C ALA A 85 2.795 10.749 -0.392 1.00 0.00 C ATOM 1252 O ALA A 85 3.360 10.735 0.700 1.00 0.00 O ATOM 1253 CB ALA A 85 4.556 10.520 -2.150 1.00 0.00 C ATOM 0 H ALA A 85 4.474 12.760 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 85 2.691 11.533 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.146 9.542 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.975 10.982 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.339 10.401 -1.401 1.00 0.00 H new ATOM 1259 N VAL A 86 1.611 10.197 -0.605 1.00 0.00 N ATOM 1260 CA VAL A 86 0.829 9.621 0.479 1.00 0.00 C ATOM 1261 C VAL A 86 -0.041 8.471 -0.029 1.00 0.00 C ATOM 1262 O VAL A 86 -0.457 8.461 -1.190 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.043 10.712 1.157 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -0.868 11.473 0.131 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -0.935 10.125 2.238 1.00 0.00 C ATOM 0 H VAL A 86 1.169 10.135 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 86 1.518 9.219 1.222 1.00 0.00 H new ATOM 0 HB VAL A 86 0.637 11.417 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.468 12.230 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.203 11.955 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.525 10.780 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.530 10.919 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.598 9.380 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.318 9.654 3.003 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.283 7.490 0.836 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.091 6.329 0.485 1.00 0.00 C ATOM 1277 C ARG A 87 -2.559 6.576 0.823 1.00 0.00 C ATOM 1278 O ARG A 87 -2.927 6.645 1.993 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.605 5.093 1.250 1.00 0.00 C ATOM 1280 CG ARG A 87 0.901 4.887 1.207 1.00 0.00 C ATOM 1281 CD ARG A 87 1.348 3.821 2.200 1.00 0.00 C ATOM 1282 NE ARG A 87 1.022 2.459 1.771 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.592 1.496 2.595 1.00 0.00 C ATOM 1284 NH1 ARG A 87 0.338 1.766 3.873 1.00 0.00 N ATOM 1285 NH2 ARG A 87 0.411 0.262 2.136 1.00 0.00 N ATOM 0 H ARG A 87 0.073 7.478 1.792 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.990 6.159 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.920 5.176 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.093 4.210 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.201 4.596 0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.404 5.828 1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.425 3.900 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.879 4.013 3.165 1.00 0.00 H new ATOM 0 HE ARG A 87 1.129 2.230 0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.471 2.712 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.011 1.027 4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.600 0.049 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.083 -0.473 2.763 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.385 6.711 -0.196 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.820 6.881 -0.004 1.00 0.00 C ATOM 1301 C LEU A 88 -5.532 5.570 -0.293 1.00 0.00 C ATOM 1302 O LEU A 88 -5.362 4.999 -1.368 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.386 7.975 -0.931 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.026 9.424 -0.578 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.442 9.749 0.846 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -3.546 9.683 -0.771 1.00 0.00 C ATOM 0 H LEU A 88 -3.089 6.707 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.987 7.183 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.041 7.775 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.472 7.886 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.574 10.078 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.178 10.781 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.519 9.619 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.928 9.080 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.321 10.718 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.973 9.016 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.278 9.502 -1.812 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.300 5.074 0.660 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.085 3.876 0.423 1.00 0.00 C ATOM 1320 C LEU A 89 -8.525 4.273 0.155 1.00 0.00 C ATOM 1321 O LEU A 89 -9.161 4.951 0.965 1.00 0.00 O ATOM 1322 CB LEU A 89 -7.009 2.917 1.613 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.274 1.432 1.301 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -8.638 1.204 0.669 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -6.179 0.865 0.414 1.00 0.00 C ATOM 0 H LEU A 89 -6.397 5.475 1.593 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.679 3.354 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.019 3.003 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.728 3.244 2.364 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.269 0.904 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.773 0.141 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.417 1.548 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.703 1.760 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.386 -0.185 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.146 1.421 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.218 0.952 0.922 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.036 3.830 -0.975 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.385 4.173 -1.388 1.00 0.00 C ATOM 1339 C VAL A 90 -11.123 2.933 -1.860 1.00 0.00 C ATOM 1340 O VAL A 90 -10.512 1.967 -2.325 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.397 5.236 -2.513 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.911 6.581 -1.992 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.551 4.790 -3.696 1.00 0.00 C ATOM 0 H VAL A 90 -8.536 3.228 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.888 4.596 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.427 5.348 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.928 7.312 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.563 6.916 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.893 6.479 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.577 5.556 -4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.522 4.638 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.947 3.856 -4.095 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.433 2.958 -1.719 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.267 1.856 -2.149 1.00 0.00 C ATOM 1355 C VAL A 91 -14.624 2.393 -2.593 1.00 0.00 C ATOM 1356 O VAL A 91 -15.117 3.382 -2.041 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.428 0.807 -1.014 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.242 1.358 0.148 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.035 -0.488 -1.539 1.00 0.00 C ATOM 0 H VAL A 91 -12.946 3.737 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.790 1.355 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.430 0.582 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.333 0.596 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.742 2.235 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.235 1.638 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.135 -1.201 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.018 -0.283 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.387 -0.907 -2.309 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.191 1.782 -3.626 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.537 2.117 -4.068 1.00 0.00 C ATOM 1371 C ASP A 92 -17.500 1.920 -2.910 1.00 0.00 C ATOM 1372 O ASP A 92 -17.490 0.873 -2.270 1.00 0.00 O ATOM 1373 CB ASP A 92 -16.969 1.218 -5.232 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.039 1.283 -6.425 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -14.907 0.756 -6.333 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.444 1.827 -7.473 1.00 0.00 O ATOM 0 H ASP A 92 -14.738 1.051 -4.174 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.547 3.154 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.026 0.187 -4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -17.972 1.504 -5.548 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.339 2.929 -2.624 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.311 2.870 -1.522 1.00 0.00 C ATOM 1383 C PRO A 93 -20.248 1.672 -1.649 1.00 0.00 C ATOM 1384 O PRO A 93 -20.720 1.128 -0.654 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.092 4.180 -1.659 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.180 5.092 -2.406 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.404 4.213 -3.345 1.00 0.00 C ATOM 0 HA PRO A 93 -18.825 2.754 -0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.027 4.028 -2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.349 4.591 -0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.744 5.847 -2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.514 5.622 -1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -18.905 4.110 -4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.410 4.614 -3.544 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.505 1.270 -2.887 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.330 0.102 -3.155 1.00 0.00 C ATOM 1397 C GLU A 94 -20.563 -1.170 -2.801 1.00 0.00 C ATOM 1398 O GLU A 94 -21.098 -2.086 -2.176 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.745 0.072 -4.626 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.211 1.418 -5.167 1.00 0.00 C ATOM 1401 CD GLU A 94 -23.316 2.047 -4.341 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -24.439 1.503 -4.327 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -23.061 3.090 -3.704 1.00 0.00 O ATOM 0 H GLU A 94 -20.153 1.738 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.228 0.158 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.902 -0.276 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.547 -0.656 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -21.362 2.100 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.561 1.288 -6.191 1.00 0.00 H new ATOM 1410 N THR A 95 -19.295 -1.202 -3.197 1.00 0.00 N ATOM 1411 CA THR A 95 -18.431 -2.341 -2.930 1.00 0.00 C ATOM 1412 C THR A 95 -18.128 -2.443 -1.439 1.00 0.00 C ATOM 1413 O THR A 95 -17.961 -3.536 -0.906 1.00 0.00 O ATOM 1414 CB THR A 95 -17.113 -2.232 -3.726 1.00 0.00 C ATOM 1415 OG1 THR A 95 -17.404 -2.024 -5.112 1.00 0.00 O ATOM 1416 CG2 THR A 95 -16.270 -3.493 -3.575 1.00 0.00 C ATOM 0 H THR A 95 -18.842 -0.444 -3.708 1.00 0.00 H new ATOM 0 HA THR A 95 -18.956 -3.242 -3.249 1.00 0.00 H new ATOM 0 HB THR A 95 -16.548 -1.388 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.566 -1.953 -5.615 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.349 -3.385 -4.147 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.028 -3.645 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.830 -4.351 -3.947 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.086 -1.296 -0.769 1.00 0.00 N ATOM 1425 CA ASP A 96 -17.845 -1.249 0.670 1.00 0.00 C ATOM 1426 C ASP A 96 -18.907 -2.034 1.422 1.00 0.00 C ATOM 1427 O ASP A 96 -18.597 -2.776 2.348 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.831 0.200 1.160 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.931 0.300 2.671 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.886 0.206 3.348 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -19.057 0.476 3.180 1.00 0.00 O ATOM 0 H ASP A 96 -18.216 -0.382 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.873 -1.702 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.914 0.685 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.661 0.742 0.707 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.151 -1.891 0.993 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.262 -2.573 1.638 1.00 0.00 C ATOM 1438 C GLU A 97 -21.125 -4.080 1.466 1.00 0.00 C ATOM 1439 O GLU A 97 -21.443 -4.856 2.369 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.588 -2.084 1.063 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.798 -2.596 1.822 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.088 -2.006 1.307 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.393 -0.845 1.652 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.804 -2.697 0.559 1.00 0.00 O ATOM 0 H GLU A 97 -20.417 -1.308 0.200 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.245 -2.344 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.599 -0.994 1.069 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.662 -2.397 0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.841 -3.682 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -23.688 -2.357 2.880 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.639 -4.484 0.300 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.310 -5.877 0.048 1.00 0.00 C ATOM 1453 C GLN A 98 -19.169 -6.305 0.964 1.00 0.00 C ATOM 1454 O GLN A 98 -19.195 -7.383 1.553 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.920 -6.065 -1.423 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.344 -7.435 -1.749 1.00 0.00 C ATOM 1457 CD GLN A 98 -20.292 -8.575 -1.440 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -19.864 -9.678 -1.108 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -21.583 -8.322 -1.546 1.00 0.00 N ATOM 0 H GLN A 98 -20.464 -3.862 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.180 -6.499 0.255 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.800 -5.897 -2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.189 -5.303 -1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -19.080 -7.468 -2.806 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -18.422 -7.577 -1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -21.899 -7.393 -1.824 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -22.264 -9.055 -1.349 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.186 -5.426 1.102 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.027 -5.688 1.943 1.00 0.00 C ATOM 1470 C LEU A 99 -17.423 -5.768 3.411 1.00 0.00 C ATOM 1471 O LEU A 99 -16.788 -6.475 4.179 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.945 -4.628 1.748 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.398 -4.492 0.324 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -13.959 -4.026 0.369 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.509 -5.804 -0.445 1.00 0.00 C ATOM 0 H LEU A 99 -18.169 -4.518 0.638 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.619 -6.652 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.348 -3.663 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.115 -4.856 2.416 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.000 -3.751 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.575 -3.931 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.905 -3.059 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.358 -4.752 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.112 -5.671 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.939 -6.577 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.555 -6.103 -0.505 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.459 -5.030 3.802 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.958 -5.073 5.176 1.00 0.00 C ATOM 1489 C GLN A 100 -19.322 -6.500 5.561 1.00 0.00 C ATOM 1490 O GLN A 100 -19.075 -6.934 6.685 1.00 0.00 O ATOM 1491 CB GLN A 100 -20.202 -4.192 5.335 1.00 0.00 C ATOM 1492 CG GLN A 100 -19.980 -2.712 5.071 1.00 0.00 C ATOM 1493 CD GLN A 100 -18.938 -2.096 5.980 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -19.242 -1.686 7.101 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -17.717 -1.985 5.486 1.00 0.00 N ATOM 0 H GLN A 100 -18.970 -4.395 3.188 1.00 0.00 H new ATOM 0 HA GLN A 100 -18.166 -4.701 5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.974 -4.555 4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -20.586 -4.311 6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -19.674 -2.576 4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -20.923 -2.181 5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.511 -2.339 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.981 -1.545 6.039 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.915 -7.219 4.614 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.325 -8.602 4.835 1.00 0.00 C ATOM 1506 C LYS A 101 -19.109 -9.526 4.924 1.00 0.00 C ATOM 1507 O LYS A 101 -19.196 -10.636 5.449 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.246 -9.076 3.704 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.309 -8.064 3.298 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.190 -7.647 4.467 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.244 -6.643 4.026 1.00 0.00 C ATOM 1512 NZ LYS A 101 -25.041 -6.129 5.170 1.00 0.00 N ATOM 0 H LYS A 101 -20.124 -6.865 3.681 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.866 -8.641 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.638 -9.316 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.738 -9.998 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.825 -7.182 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.932 -8.491 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.675 -8.525 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.574 -7.211 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -23.759 -5.809 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -24.911 -7.112 3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.747 -5.448 4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -25.525 -6.921 5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -24.410 -5.658 5.849 1.00 0.00 H new ATOM 1526 N LEU A 102 -17.982 -9.059 4.400 1.00 0.00 N ATOM 1527 CA LEU A 102 -16.776 -9.869 4.298 1.00 0.00 C ATOM 1528 C LEU A 102 -15.706 -9.353 5.269 1.00 0.00 C ATOM 1529 O LEU A 102 -15.533 -9.905 6.355 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.270 -9.843 2.847 1.00 0.00 C ATOM 1531 CG LEU A 102 -17.359 -10.012 1.771 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -16.764 -9.968 0.370 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -18.129 -11.305 1.968 1.00 0.00 C ATOM 0 H LEU A 102 -17.879 -8.112 4.035 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.001 -10.900 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.755 -8.898 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.532 -10.635 2.722 1.00 0.00 H new ATOM 0 HG LEU A 102 -18.051 -9.176 1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -17.558 -10.090 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.269 -9.009 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.038 -10.773 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -18.891 -11.396 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -17.443 -12.150 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -18.607 -11.298 2.948 1.00 0.00 H new ATOM 1545 N GLY A 103 -15.010 -8.292 4.875 1.00 0.00 N ATOM 1546 CA GLY A 103 -14.072 -7.622 5.760 1.00 0.00 C ATOM 1547 C GLY A 103 -12.965 -8.520 6.275 1.00 0.00 C ATOM 1548 O GLY A 103 -12.577 -8.426 7.442 1.00 0.00 O ATOM 0 H GLY A 103 -15.080 -7.879 3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.627 -6.780 5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.618 -7.212 6.609 1.00 0.00 H new ATOM 1552 N VAL A 104 -12.459 -9.400 5.424 1.00 0.00 N ATOM 1553 CA VAL A 104 -11.352 -10.263 5.818 1.00 0.00 C ATOM 1554 C VAL A 104 -10.077 -9.974 5.013 1.00 0.00 C ATOM 1555 O VAL A 104 -10.054 -10.121 3.792 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.724 -11.763 5.706 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -12.808 -12.117 6.713 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -12.184 -12.118 4.301 1.00 0.00 C ATOM 0 H VAL A 104 -12.790 -9.536 4.469 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.148 -10.036 6.864 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.828 -12.343 5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.058 -13.174 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.447 -11.915 7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.696 -11.516 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.437 -13.177 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.062 -11.525 4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.384 -11.907 3.592 1.00 0.00 H new ATOM 1568 N GLN A 105 -9.037 -9.501 5.721 1.00 0.00 N ATOM 1569 CA GLN A 105 -7.663 -9.389 5.189 1.00 0.00 C ATOM 1570 C GLN A 105 -7.471 -8.256 4.169 1.00 0.00 C ATOM 1571 O GLN A 105 -6.473 -7.533 4.210 1.00 0.00 O ATOM 1572 CB GLN A 105 -7.230 -10.716 4.549 1.00 0.00 C ATOM 1573 CG GLN A 105 -7.179 -11.887 5.518 1.00 0.00 C ATOM 1574 CD GLN A 105 -6.924 -13.213 4.820 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -6.278 -13.270 3.772 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -7.429 -14.289 5.398 1.00 0.00 N ATOM 0 H GLN A 105 -9.124 -9.183 6.686 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.039 -9.147 6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.919 -10.958 3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.245 -10.586 4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.394 -11.711 6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.121 -11.943 6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.958 -14.201 6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.289 -15.207 4.977 1.00 0.00 H new ATOM 1585 N VAL A 106 -8.427 -8.100 3.271 1.00 0.00 N ATOM 1586 CA VAL A 106 -8.250 -7.303 2.055 1.00 0.00 C ATOM 1587 C VAL A 106 -8.076 -5.802 2.280 1.00 0.00 C ATOM 1588 O VAL A 106 -7.907 -5.065 1.313 1.00 0.00 O ATOM 1589 CB VAL A 106 -9.414 -7.516 1.078 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -9.567 -8.995 0.767 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -10.709 -6.926 1.629 1.00 0.00 C ATOM 0 H VAL A 106 -9.352 -8.520 3.358 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.312 -7.670 1.638 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.191 -6.991 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.395 -9.137 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.648 -9.369 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.768 -9.542 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.517 -7.092 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.955 -7.409 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.581 -5.856 1.791 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.104 -5.338 3.524 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.030 -3.901 3.776 1.00 0.00 C ATOM 1603 C ARG A 107 -6.693 -3.330 3.298 1.00 0.00 C ATOM 1604 O ARG A 107 -6.598 -2.146 2.993 1.00 0.00 O ATOM 1605 CB ARG A 107 -8.258 -3.569 5.257 1.00 0.00 C ATOM 1606 CG ARG A 107 -7.024 -3.680 6.142 1.00 0.00 C ATOM 1607 CD ARG A 107 -7.294 -3.102 7.525 1.00 0.00 C ATOM 1608 NE ARG A 107 -7.830 -1.744 7.447 1.00 0.00 N ATOM 1609 CZ ARG A 107 -8.839 -1.289 8.190 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -9.360 -2.039 9.157 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -9.299 -0.065 7.976 1.00 0.00 N ATOM 0 H ARG A 107 -8.176 -5.920 4.359 1.00 0.00 H new ATOM 0 HA ARG A 107 -8.832 -3.432 3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.648 -2.554 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.027 -4.235 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.729 -4.725 6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.191 -3.152 5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.999 -3.742 8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.370 -3.096 8.104 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.403 -1.102 6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.988 -2.972 9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.132 -1.682 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.882 0.517 7.250 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.071 0.295 8.537 1.00 0.00 H new ATOM 1625 N GLU A 108 -5.671 -4.183 3.216 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.370 -3.765 2.698 1.00 0.00 C ATOM 1627 C GLU A 108 -3.516 -4.983 2.346 1.00 0.00 C ATOM 1628 O GLU A 108 -2.826 -4.996 1.329 1.00 0.00 O ATOM 1629 CB GLU A 108 -3.646 -2.872 3.714 1.00 0.00 C ATOM 1630 CG GLU A 108 -2.666 -1.892 3.081 1.00 0.00 C ATOM 1631 CD GLU A 108 -1.217 -2.320 3.204 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -0.770 -3.181 2.431 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -0.503 -1.769 4.070 1.00 0.00 O ATOM 0 H GLU A 108 -5.719 -5.161 3.500 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.532 -3.186 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.387 -2.313 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.108 -3.504 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.913 -1.774 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.789 -0.915 3.548 1.00 0.00 H new ATOM 1640 N GLU A 109 -3.611 -6.026 3.176 1.00 0.00 N ATOM 1641 CA GLU A 109 -2.822 -7.252 2.996 1.00 0.00 C ATOM 1642 C GLU A 109 -3.031 -7.857 1.604 1.00 0.00 C ATOM 1643 O GLU A 109 -2.142 -8.511 1.065 1.00 0.00 O ATOM 1644 CB GLU A 109 -3.199 -8.290 4.058 1.00 0.00 C ATOM 1645 CG GLU A 109 -3.115 -7.777 5.485 1.00 0.00 C ATOM 1646 CD GLU A 109 -1.744 -7.242 5.835 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -0.810 -8.048 6.011 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -1.597 -6.008 5.948 1.00 0.00 O ATOM 0 H GLU A 109 -4.231 -6.047 3.986 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.772 -6.980 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -4.215 -8.637 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.543 -9.154 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.855 -6.989 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.372 -8.583 6.172 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.210 -7.622 1.035 1.00 0.00 N ATOM 1656 CA LEU A 110 -4.575 -8.160 -0.274 1.00 0.00 C ATOM 1657 C LEU A 110 -3.581 -7.700 -1.345 1.00 0.00 C ATOM 1658 O LEU A 110 -3.239 -8.452 -2.260 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.006 -7.707 -0.626 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.733 -8.490 -1.734 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -6.225 -8.108 -3.117 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.595 -9.989 -1.505 1.00 0.00 C ATOM 0 H LEU A 110 -4.939 -7.054 1.467 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.542 -9.249 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.611 -7.760 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.967 -6.659 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.789 -8.225 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.762 -8.681 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.390 -7.044 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.159 -8.325 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.115 -10.527 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.540 -10.263 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.031 -10.252 -0.541 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.094 -6.473 -1.200 1.00 0.00 N ATOM 1675 CA LEU A 111 -2.203 -5.875 -2.183 1.00 0.00 C ATOM 1676 C LEU A 111 -0.780 -6.395 -2.031 1.00 0.00 C ATOM 1677 O LEU A 111 0.056 -6.220 -2.919 1.00 0.00 O ATOM 1678 CB LEU A 111 -2.227 -4.356 -2.046 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.593 -3.711 -2.286 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -3.528 -2.221 -2.007 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.062 -3.969 -3.712 1.00 0.00 C ATOM 0 H LEU A 111 -3.304 -5.870 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.555 -6.154 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.886 -4.090 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.512 -3.931 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.314 -4.160 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.507 -1.775 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.235 -2.057 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.795 -1.759 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.035 -3.503 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.343 -3.546 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.144 -5.043 -3.879 1.00 0.00 H new ATOM 1693 N ARG A 112 -0.506 -7.040 -0.907 1.00 0.00 N ATOM 1694 CA ARG A 112 0.818 -7.582 -0.643 1.00 0.00 C ATOM 1695 C ARG A 112 0.838 -9.081 -0.912 1.00 0.00 C ATOM 1696 O ARG A 112 1.445 -9.857 -0.171 1.00 0.00 O ATOM 1697 CB ARG A 112 1.235 -7.308 0.795 1.00 0.00 C ATOM 1698 CG ARG A 112 1.142 -5.846 1.190 1.00 0.00 C ATOM 1699 CD ARG A 112 1.857 -5.595 2.502 1.00 0.00 C ATOM 1700 NE ARG A 112 1.583 -4.264 3.041 1.00 0.00 N ATOM 1701 CZ ARG A 112 2.444 -3.575 3.791 1.00 0.00 C ATOM 1702 NH1 ARG A 112 3.681 -4.025 3.969 1.00 0.00 N ATOM 1703 NH2 ARG A 112 2.071 -2.424 4.341 1.00 0.00 N ATOM 0 H ARG A 112 -1.184 -7.201 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 112 1.527 -7.091 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.607 -7.896 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.260 -7.649 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.579 -5.225 0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.095 -5.555 1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.552 -6.348 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.931 -5.710 2.355 1.00 0.00 H new ATOM 0 HE ARG A 112 0.681 -3.837 2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.974 -4.899 3.532 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.338 -3.497 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.127 -2.069 4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.729 -1.896 4.915 1.00 0.00 H new ATOM 1717 N ALA A 113 0.161 -9.469 -1.978 1.00 0.00 N ATOM 1718 CA ALA A 113 0.046 -10.865 -2.362 1.00 0.00 C ATOM 1719 C ALA A 113 1.387 -11.437 -2.799 1.00 0.00 C ATOM 1720 O ALA A 113 1.854 -11.181 -3.911 1.00 0.00 O ATOM 1721 CB ALA A 113 -0.968 -11.002 -3.479 1.00 0.00 C ATOM 0 H ALA A 113 -0.325 -8.825 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 113 -0.287 -11.431 -1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.053 -12.050 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.937 -10.639 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.644 -10.415 -4.339 1.00 0.00 H new ATOM 1727 N GLN A 114 2.005 -12.200 -1.916 1.00 0.00 N ATOM 1728 CA GLN A 114 3.268 -12.849 -2.221 1.00 0.00 C ATOM 1729 C GLN A 114 3.018 -14.138 -2.998 1.00 0.00 C ATOM 1730 O GLN A 114 1.925 -14.710 -2.935 1.00 0.00 O ATOM 1731 CB GLN A 114 4.053 -13.152 -0.938 1.00 0.00 C ATOM 1732 CG GLN A 114 3.496 -14.304 -0.110 1.00 0.00 C ATOM 1733 CD GLN A 114 2.193 -13.974 0.600 1.00 0.00 C ATOM 1734 OE1 GLN A 114 2.192 -13.482 1.726 1.00 0.00 O ATOM 1735 NE2 GLN A 114 1.074 -14.254 -0.048 1.00 0.00 N ATOM 0 H GLN A 114 1.651 -12.386 -0.978 1.00 0.00 H new ATOM 0 HA GLN A 114 3.863 -12.171 -2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.085 -13.379 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 114 4.074 -12.254 -0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.337 -15.164 -0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.239 -14.599 0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.114 -14.662 -0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 114 0.171 -14.062 0.386 1.00 0.00 H new ATOM 1744 N GLU A 115 4.031 -14.597 -3.714 1.00 0.00 N ATOM 1745 CA GLU A 115 3.908 -15.795 -4.532 1.00 0.00 C ATOM 1746 C GLU A 115 4.603 -16.965 -3.858 1.00 0.00 C ATOM 1747 O GLU A 115 5.742 -16.837 -3.408 1.00 0.00 O ATOM 1748 CB GLU A 115 4.502 -15.564 -5.921 1.00 0.00 C ATOM 1749 CG GLU A 115 3.825 -14.445 -6.694 1.00 0.00 C ATOM 1750 CD GLU A 115 4.408 -14.259 -8.077 1.00 0.00 C ATOM 1751 OE1 GLU A 115 5.422 -13.541 -8.209 1.00 0.00 O ATOM 1752 OE2 GLU A 115 3.851 -14.828 -9.042 1.00 0.00 O ATOM 0 H GLU A 115 4.951 -14.158 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 115 2.849 -16.027 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 115 5.563 -15.334 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.429 -16.487 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 115 2.760 -14.659 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.919 -13.514 -6.136 1.00 0.00 H new ATOM 1759 N ALA A 116 3.900 -18.091 -3.785 1.00 0.00 N ATOM 1760 CA ALA A 116 4.410 -19.289 -3.126 1.00 0.00 C ATOM 1761 C ALA A 116 4.790 -18.984 -1.676 1.00 0.00 C ATOM 1762 O ALA A 116 5.972 -18.950 -1.322 1.00 0.00 O ATOM 1763 CB ALA A 116 5.594 -19.866 -3.892 1.00 0.00 C ATOM 0 H ALA A 116 2.965 -18.199 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 116 3.619 -20.039 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.957 -20.758 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 116 5.281 -20.128 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.392 -19.125 -3.940 1.00 0.00 H new ATOM 1769 N PRO A 117 3.783 -18.750 -0.820 1.00 0.00 N ATOM 1770 CA PRO A 117 3.995 -18.376 0.577 1.00 0.00 C ATOM 1771 C PRO A 117 4.510 -19.543 1.411 1.00 0.00 C ATOM 1772 O PRO A 117 3.824 -20.554 1.578 1.00 0.00 O ATOM 1773 CB PRO A 117 2.601 -17.946 1.062 1.00 0.00 C ATOM 1774 CG PRO A 117 1.743 -17.890 -0.160 1.00 0.00 C ATOM 1775 CD PRO A 117 2.356 -18.845 -1.138 1.00 0.00 C ATOM 0 HA PRO A 117 4.748 -17.594 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 117 2.203 -18.656 1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 117 2.641 -16.975 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 117 0.716 -18.173 0.071 1.00 0.00 H new ATOM 0 HG3 PRO A 117 1.711 -16.880 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 117 1.977 -19.859 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 117 2.150 -18.558 -2.169 1.00 0.00 H new ATOM 1783 N GLY A 118 5.718 -19.400 1.926 1.00 0.00 N ATOM 1784 CA GLY A 118 6.323 -20.456 2.704 1.00 0.00 C ATOM 1785 C GLY A 118 6.303 -20.157 4.186 1.00 0.00 C ATOM 1786 O GLY A 118 7.353 -20.054 4.819 1.00 0.00 O ATOM 0 H GLY A 118 6.294 -18.565 1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 118 5.795 -21.391 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 118 7.353 -20.601 2.378 1.00 0.00 H new ATOM 1790 N GLN A 119 5.113 -19.986 4.740 1.00 0.00 N ATOM 1791 CA GLN A 119 4.973 -19.779 6.169 1.00 0.00 C ATOM 1792 C GLN A 119 4.591 -21.089 6.846 1.00 0.00 C ATOM 1793 O GLN A 119 3.820 -21.881 6.298 1.00 0.00 O ATOM 1794 CB GLN A 119 3.945 -18.678 6.478 1.00 0.00 C ATOM 1795 CG GLN A 119 2.491 -19.022 6.153 1.00 0.00 C ATOM 1796 CD GLN A 119 2.204 -19.126 4.668 1.00 0.00 C ATOM 1797 OE1 GLN A 119 1.886 -18.131 4.019 1.00 0.00 O ATOM 1798 NE2 GLN A 119 2.290 -20.333 4.127 1.00 0.00 N ATOM 0 H GLN A 119 4.234 -19.987 4.222 1.00 0.00 H new ATOM 0 HA GLN A 119 5.932 -19.445 6.565 1.00 0.00 H new ATOM 0 HB2 GLN A 119 4.013 -18.429 7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 119 4.221 -17.782 5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 119 2.236 -19.968 6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 119 1.842 -18.261 6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 119 2.558 -21.132 4.702 1.00 0.00 H new ATOM 0 HE22 GLN A 119 2.089 -20.463 3.136 1.00 0.00 H new ATOM 1807 N ALA A 120 5.146 -21.318 8.024 1.00 0.00 N ATOM 1808 CA ALA A 120 4.926 -22.554 8.754 1.00 0.00 C ATOM 1809 C ALA A 120 4.998 -22.296 10.251 1.00 0.00 C ATOM 1810 O ALA A 120 6.088 -21.927 10.739 1.00 0.00 O ATOM 1811 CB ALA A 120 5.946 -23.609 8.341 1.00 0.00 C ATOM 1812 OXT ALA A 120 3.965 -22.443 10.932 1.00 0.00 O ATOM 0 H ALA A 120 5.759 -20.656 8.499 1.00 0.00 H new ATOM 0 HA ALA A 120 3.932 -22.930 8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.765 -24.528 8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 120 5.852 -23.808 7.273 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.951 -23.247 8.555 1.00 0.00 H new TER 1818 ALA A 120 ATOM 1819 N GLN B 1 -16.952 24.575 -2.566 1.00 0.00 N ATOM 1820 CA GLN B 1 -17.820 23.872 -1.596 1.00 0.00 C ATOM 1821 C GLN B 1 -17.009 22.884 -0.771 1.00 0.00 C ATOM 1822 O GLN B 1 -17.040 22.909 0.463 1.00 0.00 O ATOM 1823 CB GLN B 1 -18.943 23.125 -2.319 1.00 0.00 C ATOM 1824 CG GLN B 1 -19.848 22.338 -1.383 1.00 0.00 C ATOM 1825 CD GLN B 1 -20.871 21.508 -2.128 1.00 0.00 C ATOM 1826 OE1 GLN B 1 -21.973 21.973 -2.416 1.00 0.00 O ATOM 1827 NE2 GLN B 1 -20.520 20.269 -2.433 1.00 0.00 N ATOM 0 H1 GLN B 1 -17.522 25.245 -3.120 1.00 0.00 H new ATOM 0 H2 GLN B 1 -16.209 25.093 -2.055 1.00 0.00 H new ATOM 0 H3 GLN B 1 -16.514 23.882 -3.206 1.00 0.00 H new ATOM 0 HA GLN B 1 -18.256 24.620 -0.934 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -19.546 23.842 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -18.505 22.442 -3.047 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -19.239 21.684 -0.759 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -20.362 23.028 -0.714 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -19.596 19.923 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -21.174 19.660 -2.926 1.00 0.00 H new ATOM 1838 N ASP B 2 -16.283 22.013 -1.453 1.00 0.00 N ATOM 1839 CA ASP B 2 -15.561 20.948 -0.781 1.00 0.00 C ATOM 1840 C ASP B 2 -14.060 21.128 -0.913 1.00 0.00 C ATOM 1841 O ASP B 2 -13.554 21.588 -1.943 1.00 0.00 O ATOM 1842 CB ASP B 2 -16.005 19.586 -1.310 1.00 0.00 C ATOM 1843 CG ASP B 2 -17.387 19.222 -0.811 1.00 0.00 C ATOM 1844 OD1 ASP B 2 -17.579 19.170 0.420 1.00 0.00 O ATOM 1845 OD2 ASP B 2 -18.293 18.986 -1.636 1.00 0.00 O ATOM 0 H ASP B 2 -16.179 22.023 -2.468 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.799 20.995 0.282 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -16.002 19.599 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -15.292 18.823 -0.998 1.00 0.00 H new ATOM 1850 N THR B 3 -13.367 20.743 0.148 1.00 0.00 N ATOM 1851 CA THR B 3 -11.951 21.022 0.315 1.00 0.00 C ATOM 1852 C THR B 3 -11.102 20.345 -0.758 1.00 0.00 C ATOM 1853 O THR B 3 -11.236 19.145 -1.005 1.00 0.00 O ATOM 1854 CB THR B 3 -11.489 20.557 1.708 1.00 0.00 C ATOM 1855 OG1 THR B 3 -12.409 21.033 2.700 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.093 21.066 2.025 1.00 0.00 C ATOM 0 H THR B 3 -13.777 20.223 0.924 1.00 0.00 H new ATOM 0 HA THR B 3 -11.815 22.099 0.215 1.00 0.00 H new ATOM 0 HB THR B 3 -11.463 19.467 1.713 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.465 20.384 3.433 1.00 0.00 H new ATOM 0 HG21 THR B 3 -9.796 20.721 3.015 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.390 20.687 1.283 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.090 22.156 2.005 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.237 21.126 -1.393 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.335 20.600 -2.402 1.00 0.00 C ATOM 1866 C ARG B 4 -8.143 19.928 -1.737 1.00 0.00 C ATOM 1867 O ARG B 4 -7.502 20.506 -0.857 1.00 0.00 O ATOM 1868 CB ARG B 4 -8.832 21.711 -3.330 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.063 21.182 -4.535 1.00 0.00 C ATOM 1870 CD ARG B 4 -7.197 22.254 -5.182 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.927 23.498 -5.425 1.00 0.00 N ATOM 1872 CZ ARG B 4 -8.113 24.035 -6.631 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -7.721 23.393 -7.724 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -8.722 25.205 -6.742 1.00 0.00 N ATOM 0 H ARG B 4 -10.143 22.128 -1.224 1.00 0.00 H new ATOM 0 HA ARG B 4 -9.888 19.872 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -9.682 22.298 -3.678 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -8.189 22.386 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -7.434 20.348 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -8.767 20.793 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -6.340 22.460 -4.540 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -6.805 21.877 -6.127 1.00 0.00 H new ATOM 0 HE ARG B 4 -8.319 23.986 -4.620 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.273 22.480 -7.646 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -7.868 23.812 -8.642 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -9.047 25.692 -5.907 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -8.866 25.619 -7.663 1.00 0.00 H new ATOM 1888 N LEU B 5 -7.870 18.707 -2.142 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.689 18.000 -1.698 1.00 0.00 C ATOM 1890 C LEU B 5 -5.581 18.207 -2.709 1.00 0.00 C ATOM 1891 O LEU B 5 -4.468 18.613 -2.313 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.977 16.505 -1.530 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.530 16.084 -0.164 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.568 16.491 0.943 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.908 16.682 0.075 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.847 17.996 -3.909 1.00 0.00 O ATOM 0 H LEU B 5 -8.458 18.178 -2.786 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.383 18.393 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.688 16.202 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.055 15.953 -1.714 1.00 0.00 H new ATOM 0 HG LEU B 5 -7.631 14.999 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.973 16.186 1.908 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.605 16.006 0.784 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.436 17.573 0.931 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -9.277 16.367 1.051 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.843 17.770 0.045 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.593 16.338 -0.700 1.00 0.00 H new TER 1908 LEU B 5