USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 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 79 HIS : no HD1:sc= -5.67! C(o=-7.7!,f=-15!) USER MOD Set 1.2: A 81 THR OG1 : rot 24:sc= -2.04! USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.0477 K(o=-0.34,f=-1.2) USER MOD Set 2.2: A 29 MET CE :methyl -126:sc= -0.288 (180deg=-2.59!) USER MOD Single : A 1 MET CE :methyl -165:sc= -1.32 (180deg=-2.06!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= -0.0657 (180deg=-0.414) USER MOD Single : A 3 LYS NZ :NH3+ 151:sc= -1.12 (180deg=-2.98!) USER MOD Single : A 5 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.95) USER MOD Single : A 13 ASN : amide:sc= -9.09! C(o=-9.1!,f=-12!) USER MOD Single : A 15 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.0051) USER MOD Single : A 16 ASN : amide:sc= -0.41 K(o=-0.41,f=-3.5!) USER MOD Single : A 21 THR OG1 : rot -31:sc= 1.19 USER MOD Single : A 31 ASN : amide:sc= -2.14 K(o=-2.1,f=-5.8!) USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00613) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.231 (180deg=-0.73) USER MOD Single : A 42 MET CE :methyl -175:sc= 0 (180deg=-0.0154) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 48 GLN : amide:sc= -3.86! C(o=-3.9!,f=-4.2!) USER MOD Single : A 55 GLN : amide:sc= -0.311 K(o=-0.31,f=-3.9!) USER MOD Single : A 61 THR OG1 : rot -137:sc= 0.31! USER MOD Single : A 63 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.25) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -21.9! C(o=-24!,f=-22!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0198 (180deg=-0.206) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.84 K(o=-1.8,f=-9.9!) USER MOD Single : A 105 MET CE :methyl -170:sc= -1.37 (180deg=-1.59) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0926 USER MOD Single : A 111 ASN : amide:sc= -1.89 K(o=-1.9,f=-4!) USER MOD Single : A 119 ASN : amide:sc= -8.34! C(o=-8.3!,f=-13!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0429) USER MOD Single : A 131 8OG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.263 -25.222 -0.338 1.00 0.00 N ATOM 2 CA MET A 1 -6.086 -24.315 -0.304 1.00 0.00 C ATOM 3 C MET A 1 -6.388 -22.993 -1.002 1.00 0.00 C ATOM 4 O MET A 1 -6.007 -22.788 -2.155 1.00 0.00 O ATOM 5 CB MET A 1 -4.910 -25.017 -0.986 1.00 0.00 C ATOM 6 CG MET A 1 -3.582 -24.301 -0.802 1.00 0.00 C ATOM 7 SD MET A 1 -2.619 -24.965 0.571 1.00 0.00 S ATOM 8 CE MET A 1 -3.702 -24.601 1.951 1.00 0.00 C ATOM 0 H1 MET A 1 -7.029 -26.113 0.144 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.065 -24.768 0.144 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.520 -25.420 -1.326 1.00 0.00 H new ATOM 0 HA MET A 1 -5.838 -24.089 0.733 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.825 -26.030 -0.592 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.120 -25.106 -2.052 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.000 -24.381 -1.720 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.766 -23.240 -0.632 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.148 -24.702 2.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.077 -23.582 1.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.540 -25.298 1.949 1.00 0.00 H new ATOM 20 N LYS A 2 -7.074 -22.100 -0.297 1.00 0.00 N ATOM 21 CA LYS A 2 -7.428 -20.797 -0.850 1.00 0.00 C ATOM 22 C LYS A 2 -6.635 -19.685 -0.171 1.00 0.00 C ATOM 23 O LYS A 2 -6.652 -19.554 1.054 1.00 0.00 O ATOM 24 CB LYS A 2 -8.928 -20.543 -0.692 1.00 0.00 C ATOM 25 CG LYS A 2 -9.563 -19.872 -1.899 1.00 0.00 C ATOM 26 CD LYS A 2 -9.555 -20.787 -3.114 1.00 0.00 C ATOM 27 CE LYS A 2 -10.376 -22.043 -2.871 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.770 -21.723 -2.457 1.00 0.00 N ATOM 0 H LYS A 2 -7.396 -22.254 0.658 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.178 -20.799 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.431 -21.492 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.092 -19.920 0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.589 -19.589 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.025 -18.953 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.953 -20.252 -3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.529 -21.063 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.396 -22.645 -3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.897 -22.646 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.359 -22.577 -2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.771 -21.385 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.155 -20.983 -3.078 1.00 0.00 H new ATOM 42 N LYS A 3 -5.940 -18.886 -0.974 1.00 0.00 N ATOM 43 CA LYS A 3 -5.138 -17.785 -0.454 1.00 0.00 C ATOM 44 C LYS A 3 -5.304 -16.540 -1.320 1.00 0.00 C ATOM 45 O LYS A 3 -5.582 -16.637 -2.515 1.00 0.00 O ATOM 46 CB LYS A 3 -3.661 -18.186 -0.400 1.00 0.00 C ATOM 47 CG LYS A 3 -3.213 -18.679 0.965 1.00 0.00 C ATOM 48 CD LYS A 3 -1.751 -18.356 1.221 1.00 0.00 C ATOM 49 CE LYS A 3 -0.830 -19.316 0.488 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.940 -19.173 -0.990 1.00 0.00 N ATOM 0 H LYS A 3 -5.916 -18.981 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.485 -17.557 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.479 -18.968 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.050 -17.330 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.829 -18.221 1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.366 -19.756 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.542 -17.335 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.549 -18.403 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.200 -19.135 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.072 -20.340 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.034 -19.430 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.689 -19.801 -1.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.173 -18.188 -1.227 1.00 0.00 H new ATOM 64 N LEU A 4 -5.112 -15.370 -0.716 1.00 0.00 N ATOM 65 CA LEU A 4 -5.223 -14.108 -1.443 1.00 0.00 C ATOM 66 C LEU A 4 -4.236 -13.088 -0.879 1.00 0.00 C ATOM 67 O LEU A 4 -4.314 -12.722 0.291 1.00 0.00 O ATOM 68 CB LEU A 4 -6.652 -13.567 -1.368 1.00 0.00 C ATOM 69 CG LEU A 4 -7.087 -13.059 0.009 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.915 -11.551 0.094 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.533 -13.449 0.291 1.00 0.00 C ATOM 0 H LEU A 4 -4.879 -15.269 0.272 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.981 -14.288 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.753 -12.753 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.338 -14.354 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.454 -13.523 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.228 -11.204 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.868 -11.295 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.526 -11.071 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.824 -13.079 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.182 -13.012 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.628 -14.535 0.269 1.00 0.00 H new ATOM 83 N GLN A 5 -3.286 -12.654 -1.702 1.00 0.00 N ATOM 84 CA GLN A 5 -2.271 -11.709 -1.261 1.00 0.00 C ATOM 85 C GLN A 5 -2.536 -10.287 -1.744 1.00 0.00 C ATOM 86 O GLN A 5 -3.214 -10.062 -2.746 1.00 0.00 O ATOM 87 CB GLN A 5 -0.904 -12.157 -1.761 1.00 0.00 C ATOM 88 CG GLN A 5 -0.580 -13.593 -1.396 1.00 0.00 C ATOM 89 CD GLN A 5 0.897 -13.913 -1.523 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.483 -13.777 -2.596 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.506 -14.342 -0.423 1.00 0.00 N ATOM 0 H GLN A 5 -3.200 -12.943 -2.677 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.301 -11.696 -0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.866 -12.046 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.139 -11.501 -1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.902 -13.784 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.149 -14.264 -2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.980 -14.440 0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.499 -14.573 -0.447 1.00 0.00 H new ATOM 100 N ILE A 6 -1.968 -9.337 -1.015 1.00 0.00 N ATOM 101 CA ILE A 6 -2.077 -7.924 -1.316 1.00 0.00 C ATOM 102 C ILE A 6 -0.772 -7.251 -0.900 1.00 0.00 C ATOM 103 O ILE A 6 -0.230 -7.575 0.154 1.00 0.00 O ATOM 104 CB ILE A 6 -3.260 -7.273 -0.574 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.575 -7.942 -0.977 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.306 -5.784 -0.863 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.762 -7.484 -0.157 1.00 0.00 C ATOM 0 H ILE A 6 -1.410 -9.534 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.257 -7.800 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.120 -7.412 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.770 -7.737 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.469 -9.022 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.146 -5.336 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.378 -5.320 -0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.427 -5.625 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.660 -7.999 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.588 -7.714 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.894 -6.409 -0.276 1.00 0.00 H new ATOM 119 N ALA A 7 -0.273 -6.298 -1.681 1.00 0.00 N ATOM 120 CA ALA A 7 0.945 -5.597 -1.305 1.00 0.00 C ATOM 121 C ALA A 7 0.679 -4.109 -1.338 1.00 0.00 C ATOM 122 O ALA A 7 0.245 -3.604 -2.359 1.00 0.00 O ATOM 123 CB ALA A 7 2.088 -5.957 -2.245 1.00 0.00 C ATOM 0 H ALA A 7 -0.687 -5.998 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 7 1.240 -5.895 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.988 -5.421 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.272 -7.030 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.822 -5.677 -3.265 1.00 0.00 H new ATOM 129 N VAL A 8 0.928 -3.401 -0.248 1.00 0.00 N ATOM 130 CA VAL A 8 0.679 -1.964 -0.233 1.00 0.00 C ATOM 131 C VAL A 8 1.855 -1.198 0.348 1.00 0.00 C ATOM 132 O VAL A 8 2.683 -1.753 1.064 1.00 0.00 O ATOM 133 CB VAL A 8 -0.607 -1.597 0.551 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.549 -2.789 0.655 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.272 -1.053 1.937 1.00 0.00 C ATOM 0 H VAL A 8 1.295 -3.785 0.623 1.00 0.00 H new ATOM 0 HA VAL A 8 0.542 -1.674 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.117 -0.811 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.441 -2.500 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.834 -3.116 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.047 -3.605 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.194 -0.804 2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.276 -1.808 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.342 -0.158 1.838 1.00 0.00 H new ATOM 145 N GLY A 9 1.916 0.083 0.025 1.00 0.00 N ATOM 146 CA GLY A 9 2.990 0.906 0.523 1.00 0.00 C ATOM 147 C GLY A 9 2.611 2.365 0.670 1.00 0.00 C ATOM 148 O GLY A 9 1.735 2.868 -0.029 1.00 0.00 O ATOM 0 H GLY A 9 1.243 0.564 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.313 0.523 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.842 0.826 -0.152 1.00 0.00 H new ATOM 152 N ILE A 10 3.316 3.045 1.560 1.00 0.00 N ATOM 153 CA ILE A 10 3.114 4.461 1.797 1.00 0.00 C ATOM 154 C ILE A 10 4.141 5.226 0.976 1.00 0.00 C ATOM 155 O ILE A 10 5.335 5.026 1.162 1.00 0.00 O ATOM 156 CB ILE A 10 3.284 4.808 3.293 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.132 3.751 4.012 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.927 4.945 3.968 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.542 4.151 5.412 1.00 0.00 C ATOM 0 H ILE A 10 4.045 2.628 2.138 1.00 0.00 H new ATOM 0 HA ILE A 10 2.100 4.734 1.506 1.00 0.00 H new ATOM 0 HB ILE A 10 3.805 5.763 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.570 2.818 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.028 3.554 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.067 5.189 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.358 5.739 3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.382 4.005 3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.139 3.355 5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.132 5.067 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.652 4.320 6.018 1.00 0.00 H new ATOM 171 N ILE A 11 3.693 6.085 0.062 1.00 0.00 N ATOM 172 CA ILE A 11 4.633 6.828 -0.775 1.00 0.00 C ATOM 173 C ILE A 11 5.203 8.042 -0.063 1.00 0.00 C ATOM 174 O ILE A 11 4.503 9.012 0.197 1.00 0.00 O ATOM 175 CB ILE A 11 4.015 7.292 -2.105 1.00 0.00 C ATOM 176 CG1 ILE A 11 2.970 6.290 -2.605 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.117 7.482 -3.140 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.726 6.374 -4.096 1.00 0.00 C ATOM 0 H ILE A 11 2.708 6.281 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 11 5.434 6.119 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 11 3.508 8.243 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.295 5.281 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.031 6.463 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.678 7.811 -4.082 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.823 8.234 -2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.639 6.538 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.975 5.638 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.371 7.373 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.655 6.172 -4.629 1.00 0.00 H new ATOM 190 N ARG A 12 6.485 7.964 0.236 1.00 0.00 N ATOM 191 CA ARG A 12 7.176 9.044 0.933 1.00 0.00 C ATOM 192 C ARG A 12 7.552 10.152 -0.032 1.00 0.00 C ATOM 193 O ARG A 12 7.780 9.907 -1.218 1.00 0.00 O ATOM 194 CB ARG A 12 8.427 8.529 1.637 1.00 0.00 C ATOM 195 CG ARG A 12 8.285 8.465 3.147 1.00 0.00 C ATOM 196 CD ARG A 12 9.194 9.470 3.839 1.00 0.00 C ATOM 197 NE ARG A 12 9.393 9.149 5.250 1.00 0.00 N ATOM 198 CZ ARG A 12 10.243 8.222 5.688 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.973 7.521 4.827 1.00 0.00 N ATOM 200 NH2 ARG A 12 10.364 7.994 6.988 1.00 0.00 N ATOM 0 H ARG A 12 7.075 7.164 0.009 1.00 0.00 H new ATOM 0 HA ARG A 12 6.493 9.443 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.664 7.534 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.268 9.175 1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.249 8.660 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.524 7.459 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.159 9.494 3.333 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.764 10.468 3.752 1.00 0.00 H new ATOM 0 HE ARG A 12 8.849 9.665 5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.884 7.692 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.623 6.812 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.806 8.529 7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.015 7.284 7.323 1.00 0.00 H new ATOM 214 N ASN A 13 7.628 11.374 0.490 1.00 0.00 N ATOM 215 CA ASN A 13 7.982 12.531 -0.323 1.00 0.00 C ATOM 216 C ASN A 13 9.087 13.374 0.299 1.00 0.00 C ATOM 217 O ASN A 13 9.709 13.007 1.297 1.00 0.00 O ATOM 218 CB ASN A 13 6.775 13.421 -0.585 1.00 0.00 C ATOM 219 CG ASN A 13 6.708 13.897 -2.024 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.068 13.167 -2.949 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.246 15.126 -2.221 1.00 0.00 N ATOM 0 H ASN A 13 7.449 11.587 1.471 1.00 0.00 H new ATOM 0 HA ASN A 13 8.349 12.123 -1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.864 12.873 -0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.813 14.285 0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.178 15.500 -3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.959 15.696 -1.426 1.00 0.00 H new ATOM 228 N GLU A 14 9.311 14.506 -0.346 1.00 0.00 N ATOM 229 CA GLU A 14 10.329 15.471 0.047 1.00 0.00 C ATOM 230 C GLU A 14 10.140 15.956 1.475 1.00 0.00 C ATOM 231 O GLU A 14 11.036 15.854 2.313 1.00 0.00 O ATOM 232 CB GLU A 14 10.282 16.661 -0.913 1.00 0.00 C ATOM 233 CG GLU A 14 11.205 17.807 -0.523 1.00 0.00 C ATOM 234 CD GLU A 14 12.232 18.121 -1.594 1.00 0.00 C ATOM 235 OE1 GLU A 14 11.946 17.865 -2.783 1.00 0.00 O ATOM 236 OE2 GLU A 14 13.321 18.622 -1.245 1.00 0.00 O ATOM 0 H GLU A 14 8.783 14.787 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 14 11.299 14.977 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.547 16.319 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.259 17.033 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.608 18.698 -0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.719 17.555 0.405 1.00 0.00 H new ATOM 243 N ASN A 15 8.978 16.515 1.718 1.00 0.00 N ATOM 244 CA ASN A 15 8.638 17.074 3.026 1.00 0.00 C ATOM 245 C ASN A 15 8.500 16.004 4.111 1.00 0.00 C ATOM 246 O ASN A 15 8.309 16.335 5.281 1.00 0.00 O ATOM 247 CB ASN A 15 7.340 17.878 2.930 1.00 0.00 C ATOM 248 CG ASN A 15 7.224 18.920 4.025 1.00 0.00 C ATOM 249 OD1 ASN A 15 6.273 18.913 4.807 1.00 0.00 O ATOM 250 ND2 ASN A 15 8.193 19.827 4.085 1.00 0.00 N ATOM 0 H ASN A 15 8.236 16.600 1.023 1.00 0.00 H new ATOM 0 HA ASN A 15 9.464 17.724 3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.291 18.369 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.490 17.198 2.987 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.167 20.555 4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.963 19.796 3.417 1.00 0.00 H new ATOM 257 N ASN A 16 8.563 14.728 3.724 1.00 0.00 N ATOM 258 CA ASN A 16 8.412 13.616 4.670 1.00 0.00 C ATOM 259 C ASN A 16 6.934 13.274 4.851 1.00 0.00 C ATOM 260 O ASN A 16 6.563 12.482 5.719 1.00 0.00 O ATOM 261 CB ASN A 16 9.057 13.927 6.022 1.00 0.00 C ATOM 262 CG ASN A 16 9.921 12.788 6.527 1.00 0.00 C ATOM 263 OD1 ASN A 16 10.251 11.866 5.782 1.00 0.00 O ATOM 264 ND2 ASN A 16 10.291 12.847 7.801 1.00 0.00 N ATOM 0 H ASN A 16 8.718 14.437 2.759 1.00 0.00 H new ATOM 0 HA ASN A 16 8.930 12.753 4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.664 14.828 5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.277 14.139 6.753 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.872 12.109 8.198 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.994 13.631 8.383 1.00 0.00 H new ATOM 271 N GLU A 17 6.101 13.851 3.990 1.00 0.00 N ATOM 272 CA GLU A 17 4.673 13.589 4.007 1.00 0.00 C ATOM 273 C GLU A 17 4.354 12.654 2.855 1.00 0.00 C ATOM 274 O GLU A 17 4.798 12.880 1.729 1.00 0.00 O ATOM 275 CB GLU A 17 3.873 14.888 3.886 1.00 0.00 C ATOM 276 CG GLU A 17 4.236 15.722 2.667 1.00 0.00 C ATOM 277 CD GLU A 17 3.768 17.160 2.784 1.00 0.00 C ATOM 278 OE1 GLU A 17 3.379 17.570 3.898 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.792 17.876 1.761 1.00 0.00 O ATOM 0 H GLU A 17 6.398 14.508 3.268 1.00 0.00 H new ATOM 0 HA GLU A 17 4.394 13.128 4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.811 14.647 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.031 15.486 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.317 15.706 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.794 15.271 1.778 1.00 0.00 H new ATOM 286 N ILE A 18 3.668 11.564 3.146 1.00 0.00 N ATOM 287 CA ILE A 18 3.402 10.561 2.123 1.00 0.00 C ATOM 288 C ILE A 18 1.975 10.624 1.586 1.00 0.00 C ATOM 289 O ILE A 18 0.997 10.526 2.326 1.00 0.00 O ATOM 290 CB ILE A 18 3.723 9.129 2.650 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.785 8.076 2.038 1.00 0.00 C ATOM 292 CG2 ILE A 18 3.666 9.072 4.173 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.423 8.021 2.684 1.00 0.00 C ATOM 0 H ILE A 18 3.288 11.349 4.068 1.00 0.00 H new ATOM 0 HA ILE A 18 4.065 10.790 1.289 1.00 0.00 H new ATOM 0 HB ILE A 18 4.741 8.895 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.664 8.285 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.254 7.095 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.895 8.060 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.395 9.766 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.667 9.349 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.820 7.254 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.531 7.780 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.932 8.989 2.581 1.00 0.00 H new ATOM 305 N PHE A 19 1.895 10.834 0.275 1.00 0.00 N ATOM 306 CA PHE A 19 0.627 10.955 -0.427 1.00 0.00 C ATOM 307 C PHE A 19 -0.222 9.681 -0.334 1.00 0.00 C ATOM 308 O PHE A 19 0.033 8.689 -1.016 1.00 0.00 O ATOM 309 CB PHE A 19 0.884 11.338 -1.898 1.00 0.00 C ATOM 310 CG PHE A 19 0.293 10.392 -2.911 1.00 0.00 C ATOM 311 CD1 PHE A 19 -1.076 10.338 -3.109 1.00 0.00 C ATOM 312 CD2 PHE A 19 1.109 9.555 -3.654 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.623 9.467 -4.033 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.568 8.682 -4.578 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.799 8.638 -4.768 1.00 0.00 C ATOM 0 H PHE A 19 2.712 10.925 -0.329 1.00 0.00 H new ATOM 0 HA PHE A 19 0.052 11.743 0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.481 12.335 -2.075 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.960 11.396 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.724 10.984 -2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.179 9.585 -3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.693 9.435 -4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.214 8.034 -5.152 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.223 7.956 -5.490 1.00 0.00 H new ATOM 325 N ILE A 20 -1.249 9.742 0.501 1.00 0.00 N ATOM 326 CA ILE A 20 -2.170 8.632 0.670 1.00 0.00 C ATOM 327 C ILE A 20 -3.501 8.993 0.016 1.00 0.00 C ATOM 328 O ILE A 20 -3.960 10.129 0.140 1.00 0.00 O ATOM 329 CB ILE A 20 -2.423 8.294 2.157 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.890 9.398 3.076 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.796 6.955 2.515 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.252 9.198 4.531 1.00 0.00 C ATOM 0 H ILE A 20 -1.465 10.557 1.076 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.720 7.756 0.203 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.501 8.225 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.805 9.445 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.281 10.359 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.985 6.734 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.233 6.172 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.721 6.998 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.843 10.016 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.337 9.181 4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.838 8.253 4.882 1.00 0.00 H new ATOM 344 N THR A 21 -4.125 8.047 -0.675 1.00 0.00 N ATOM 345 CA THR A 21 -5.402 8.333 -1.324 1.00 0.00 C ATOM 346 C THR A 21 -6.483 8.500 -0.268 1.00 0.00 C ATOM 347 O THR A 21 -6.850 7.543 0.405 1.00 0.00 O ATOM 348 CB THR A 21 -5.790 7.214 -2.298 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.467 6.166 -1.626 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.610 6.607 -3.026 1.00 0.00 C ATOM 0 H THR A 21 -3.779 7.096 -0.800 1.00 0.00 H new ATOM 0 HA THR A 21 -5.300 9.256 -1.894 1.00 0.00 H new ATOM 0 HB THR A 21 -6.438 7.694 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.140 6.103 -0.704 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.961 5.823 -3.697 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.103 7.379 -3.604 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.916 6.181 -2.302 1.00 0.00 H new ATOM 358 N ARG A 22 -6.975 9.726 -0.119 1.00 0.00 N ATOM 359 CA ARG A 22 -8.002 10.022 0.874 1.00 0.00 C ATOM 360 C ARG A 22 -9.201 10.720 0.246 1.00 0.00 C ATOM 361 O ARG A 22 -9.050 11.632 -0.568 1.00 0.00 O ATOM 362 CB ARG A 22 -7.415 10.898 1.982 1.00 0.00 C ATOM 363 CG ARG A 22 -8.388 11.184 3.114 1.00 0.00 C ATOM 364 CD ARG A 22 -7.669 11.719 4.342 1.00 0.00 C ATOM 365 NE ARG A 22 -8.561 12.480 5.212 1.00 0.00 N ATOM 366 CZ ARG A 22 -8.282 12.780 6.479 1.00 0.00 C ATOM 367 NH1 ARG A 22 -7.139 12.384 7.025 1.00 0.00 N ATOM 368 NH2 ARG A 22 -9.148 13.479 7.200 1.00 0.00 N ATOM 0 H ARG A 22 -6.679 10.530 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.345 9.077 1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.530 10.409 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.086 11.843 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.132 11.908 2.782 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.925 10.272 3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.240 10.888 4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.840 12.354 4.029 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.449 12.800 4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.469 11.847 6.474 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.930 12.616 7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.027 13.786 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.935 13.709 8.171 1.00 0.00 H new ATOM 382 N ARG A 23 -10.396 10.288 0.638 1.00 0.00 N ATOM 383 CA ARG A 23 -11.635 10.871 0.127 1.00 0.00 C ATOM 384 C ARG A 23 -11.651 10.910 -1.400 1.00 0.00 C ATOM 385 O ARG A 23 -12.371 11.709 -1.998 1.00 0.00 O ATOM 386 CB ARG A 23 -11.822 12.285 0.681 1.00 0.00 C ATOM 387 CG ARG A 23 -11.687 12.374 2.193 1.00 0.00 C ATOM 388 CD ARG A 23 -11.088 13.705 2.620 1.00 0.00 C ATOM 389 NE ARG A 23 -11.356 14.001 4.026 1.00 0.00 N ATOM 390 CZ ARG A 23 -11.181 15.200 4.577 1.00 0.00 C ATOM 391 NH1 ARG A 23 -10.739 16.217 3.846 1.00 0.00 N ATOM 392 NH2 ARG A 23 -11.450 15.385 5.863 1.00 0.00 N ATOM 0 H ARG A 23 -10.534 9.533 1.310 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.458 10.237 0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.088 12.946 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.807 12.652 0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.666 12.249 2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.059 11.559 2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.011 13.688 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.495 14.502 1.998 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.697 13.245 4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.532 16.082 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.607 17.133 4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.791 14.608 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.316 16.304 6.285 1.00 0.00 H new ATOM 406 N ALA A 24 -10.856 10.044 -2.027 1.00 0.00 N ATOM 407 CA ALA A 24 -10.780 9.978 -3.486 1.00 0.00 C ATOM 408 C ALA A 24 -10.648 11.371 -4.108 1.00 0.00 C ATOM 409 O ALA A 24 -9.538 11.869 -4.297 1.00 0.00 O ATOM 410 CB ALA A 24 -11.993 9.246 -4.045 1.00 0.00 C ATOM 0 H ALA A 24 -10.254 9.376 -1.546 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.882 9.419 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.924 9.204 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.023 8.233 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.901 9.776 -3.760 1.00 0.00 H new ATOM 416 N ALA A 25 -11.781 11.996 -4.424 1.00 0.00 N ATOM 417 CA ALA A 25 -11.781 13.325 -5.021 1.00 0.00 C ATOM 418 C ALA A 25 -13.026 14.106 -4.611 1.00 0.00 C ATOM 419 O ALA A 25 -13.923 14.336 -5.423 1.00 0.00 O ATOM 420 CB ALA A 25 -11.691 13.224 -6.535 1.00 0.00 C ATOM 0 H ALA A 25 -12.710 11.601 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.907 13.864 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.692 14.225 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.770 12.710 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.546 12.664 -6.914 1.00 0.00 H new ATOM 426 N ASP A 26 -13.074 14.509 -3.344 1.00 0.00 N ATOM 427 CA ASP A 26 -14.209 15.263 -2.822 1.00 0.00 C ATOM 428 C ASP A 26 -15.476 14.413 -2.826 1.00 0.00 C ATOM 429 O ASP A 26 -15.861 13.859 -3.855 1.00 0.00 O ATOM 430 CB ASP A 26 -14.426 16.535 -3.639 1.00 0.00 C ATOM 431 CG ASP A 26 -14.254 17.793 -2.809 1.00 0.00 C ATOM 432 OD1 ASP A 26 -14.589 17.760 -1.607 1.00 0.00 O ATOM 433 OD2 ASP A 26 -13.786 18.810 -3.362 1.00 0.00 O ATOM 0 H ASP A 26 -12.340 14.326 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.985 15.540 -1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.722 16.553 -4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -15.428 16.521 -4.069 1.00 0.00 H new ATOM 438 N ALA A 27 -16.121 14.317 -1.666 1.00 0.00 N ATOM 439 CA ALA A 27 -17.346 13.536 -1.534 1.00 0.00 C ATOM 440 C ALA A 27 -17.089 12.059 -1.819 1.00 0.00 C ATOM 441 O ALA A 27 -15.940 11.625 -1.911 1.00 0.00 O ATOM 442 CB ALA A 27 -18.422 14.079 -2.465 1.00 0.00 C ATOM 0 H ALA A 27 -15.815 14.770 -0.805 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.695 13.624 -0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -19.330 13.487 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -18.633 15.118 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -18.073 14.022 -3.496 1.00 0.00 H new ATOM 448 N HIS A 28 -18.165 11.292 -1.960 1.00 0.00 N ATOM 449 CA HIS A 28 -18.058 9.863 -2.236 1.00 0.00 C ATOM 450 C HIS A 28 -17.397 9.131 -1.071 1.00 0.00 C ATOM 451 O HIS A 28 -17.160 9.715 -0.013 1.00 0.00 O ATOM 452 CB HIS A 28 -17.264 9.630 -3.524 1.00 0.00 C ATOM 453 CG HIS A 28 -18.129 9.422 -4.729 1.00 0.00 C ATOM 454 ND1 HIS A 28 -19.017 8.374 -4.846 1.00 0.00 N ATOM 455 CD2 HIS A 28 -18.241 10.138 -5.873 1.00 0.00 C ATOM 456 CE1 HIS A 28 -19.637 8.453 -6.011 1.00 0.00 C ATOM 457 NE2 HIS A 28 -19.185 9.514 -6.652 1.00 0.00 N ATOM 0 H HIS A 28 -19.122 11.636 -1.888 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.065 9.465 -2.363 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -16.611 10.485 -3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -16.621 8.759 -3.393 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.691 11.032 -6.126 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.386 7.766 -6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -19.488 9.821 -7.576 1.00 0.00 H new ATOM 466 N MET A 29 -17.105 7.848 -1.271 1.00 0.00 N ATOM 467 CA MET A 29 -16.474 7.027 -0.240 1.00 0.00 C ATOM 468 C MET A 29 -15.297 7.755 0.407 1.00 0.00 C ATOM 469 O MET A 29 -14.205 7.816 -0.158 1.00 0.00 O ATOM 470 CB MET A 29 -15.998 5.702 -0.838 1.00 0.00 C ATOM 471 CG MET A 29 -15.309 5.855 -2.186 1.00 0.00 C ATOM 472 SD MET A 29 -16.370 5.388 -3.567 1.00 0.00 S ATOM 473 CE MET A 29 -15.806 6.530 -4.827 1.00 0.00 C ATOM 0 H MET A 29 -17.296 7.352 -2.142 1.00 0.00 H new ATOM 0 HA MET A 29 -17.219 6.830 0.531 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.311 5.224 -0.140 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.853 5.035 -0.950 1.00 0.00 H new ATOM 0 HG2 MET A 29 -14.991 6.890 -2.311 1.00 0.00 H new ATOM 0 HG3 MET A 29 -14.409 5.241 -2.201 1.00 0.00 H new ATOM 0 HE1 MET A 29 -16.657 7.083 -5.224 1.00 0.00 H new ATOM 0 HE2 MET A 29 -15.091 7.228 -4.392 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.326 5.975 -5.633 1.00 0.00 H new ATOM 483 N ALA A 30 -15.531 8.306 1.595 1.00 0.00 N ATOM 484 CA ALA A 30 -14.493 9.031 2.321 1.00 0.00 C ATOM 485 C ALA A 30 -13.650 8.094 3.186 1.00 0.00 C ATOM 486 O ALA A 30 -12.630 8.502 3.742 1.00 0.00 O ATOM 487 CB ALA A 30 -15.118 10.121 3.179 1.00 0.00 C ATOM 0 H ALA A 30 -16.430 8.264 2.075 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.830 9.488 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.334 10.655 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.662 10.819 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.806 9.671 3.895 1.00 0.00 H new ATOM 493 N ASN A 31 -14.080 6.840 3.300 1.00 0.00 N ATOM 494 CA ASN A 31 -13.361 5.853 4.101 1.00 0.00 C ATOM 495 C ASN A 31 -12.423 5.019 3.230 1.00 0.00 C ATOM 496 O ASN A 31 -12.183 3.845 3.508 1.00 0.00 O ATOM 497 CB ASN A 31 -14.354 4.943 4.828 1.00 0.00 C ATOM 498 CG ASN A 31 -14.355 5.165 6.327 1.00 0.00 C ATOM 499 OD1 ASN A 31 -13.758 6.119 6.825 1.00 0.00 O ATOM 500 ND2 ASN A 31 -15.028 4.282 7.056 1.00 0.00 N ATOM 0 H ASN A 31 -14.922 6.483 2.848 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.758 6.384 4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.356 5.119 4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.108 3.902 4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.064 4.380 8.071 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.509 3.506 6.601 1.00 0.00 H new ATOM 507 N LYS A 32 -11.906 5.631 2.168 1.00 0.00 N ATOM 508 CA LYS A 32 -11.005 4.941 1.250 1.00 0.00 C ATOM 509 C LYS A 32 -9.581 5.473 1.351 1.00 0.00 C ATOM 510 O LYS A 32 -8.818 5.409 0.388 1.00 0.00 O ATOM 511 CB LYS A 32 -11.515 5.051 -0.188 1.00 0.00 C ATOM 512 CG LYS A 32 -11.632 3.709 -0.894 1.00 0.00 C ATOM 513 CD LYS A 32 -13.076 3.382 -1.244 1.00 0.00 C ATOM 514 CE LYS A 32 -13.413 1.933 -0.931 1.00 0.00 C ATOM 515 NZ LYS A 32 -12.636 0.987 -1.778 1.00 0.00 N ATOM 0 H LYS A 32 -12.095 6.603 1.922 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.986 3.890 1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.491 5.536 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.842 5.694 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.031 3.722 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.226 2.925 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.744 4.040 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.247 3.575 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.208 1.731 0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.479 1.767 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.931 0.012 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.812 1.195 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.621 1.092 -1.575 1.00 0.00 H new ATOM 529 N LEU A 33 -9.239 5.998 2.517 1.00 0.00 N ATOM 530 CA LEU A 33 -7.904 6.546 2.765 1.00 0.00 C ATOM 531 C LEU A 33 -6.833 5.455 2.649 1.00 0.00 C ATOM 532 O LEU A 33 -6.161 5.129 3.624 1.00 0.00 O ATOM 533 CB LEU A 33 -7.853 7.178 4.158 1.00 0.00 C ATOM 534 CG LEU A 33 -6.805 8.278 4.343 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.679 8.650 5.812 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.457 7.841 3.788 1.00 0.00 C ATOM 0 H LEU A 33 -9.870 6.059 3.316 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.700 7.308 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.835 7.593 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.662 6.392 4.888 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.133 9.157 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.930 9.433 5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.640 9.010 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.377 7.773 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.729 8.639 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.121 6.945 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.554 7.625 2.724 1.00 0.00 H new ATOM 548 N GLU A 34 -6.683 4.891 1.456 1.00 0.00 N ATOM 549 CA GLU A 34 -5.710 3.824 1.230 1.00 0.00 C ATOM 550 C GLU A 34 -4.585 4.264 0.302 1.00 0.00 C ATOM 551 O GLU A 34 -4.631 5.340 -0.291 1.00 0.00 O ATOM 552 CB GLU A 34 -6.408 2.592 0.647 1.00 0.00 C ATOM 553 CG GLU A 34 -5.898 1.275 1.214 1.00 0.00 C ATOM 554 CD GLU A 34 -6.586 0.071 0.601 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.802 0.073 -0.629 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.908 -0.874 1.351 1.00 0.00 O ATOM 0 H GLU A 34 -7.221 5.153 0.630 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.268 3.576 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.479 2.668 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.275 2.588 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.824 1.201 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.050 1.265 2.293 1.00 0.00 H new ATOM 563 N PHE A 35 -3.566 3.417 0.194 1.00 0.00 N ATOM 564 CA PHE A 35 -2.412 3.701 -0.647 1.00 0.00 C ATOM 565 C PHE A 35 -2.233 2.636 -1.737 1.00 0.00 C ATOM 566 O PHE A 35 -2.857 1.576 -1.697 1.00 0.00 O ATOM 567 CB PHE A 35 -1.137 3.800 0.205 1.00 0.00 C ATOM 568 CG PHE A 35 -1.268 3.241 1.598 1.00 0.00 C ATOM 569 CD1 PHE A 35 -2.139 3.814 2.514 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.514 2.148 1.991 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.255 3.304 3.793 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.627 1.634 3.271 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.498 2.213 4.171 1.00 0.00 C ATOM 0 H PHE A 35 -3.518 2.523 0.683 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.590 4.658 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.331 3.275 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.842 4.847 0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.733 4.668 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.170 1.692 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.937 3.758 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.034 0.781 3.565 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.588 1.813 5.170 1.00 0.00 H new ATOM 583 N PRO A 36 -1.351 2.910 -2.719 1.00 0.00 N ATOM 584 CA PRO A 36 -1.039 1.996 -3.830 1.00 0.00 C ATOM 585 C PRO A 36 -0.770 0.568 -3.361 1.00 0.00 C ATOM 586 O PRO A 36 -0.614 0.323 -2.164 1.00 0.00 O ATOM 587 CB PRO A 36 0.235 2.592 -4.452 1.00 0.00 C ATOM 588 CG PRO A 36 0.688 3.649 -3.503 1.00 0.00 C ATOM 589 CD PRO A 36 -0.551 4.139 -2.821 1.00 0.00 C ATOM 0 HA PRO A 36 -1.876 1.919 -4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.002 1.828 -4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.031 3.011 -5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.400 3.248 -2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.191 4.459 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.335 4.568 -1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.059 4.909 -3.402 1.00 0.00 H new ATOM 597 N GLY A 37 -0.709 -0.376 -4.305 1.00 0.00 N ATOM 598 CA GLY A 37 -0.449 -1.757 -3.936 1.00 0.00 C ATOM 599 C GLY A 37 -1.666 -2.662 -3.945 1.00 0.00 C ATOM 600 O GLY A 37 -2.034 -3.255 -2.931 1.00 0.00 O ATOM 0 H GLY A 37 -0.833 -0.209 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.295 -2.166 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.009 -1.774 -2.939 1.00 0.00 H new ATOM 604 N GLY A 38 -2.263 -2.770 -5.109 1.00 0.00 N ATOM 605 CA GLY A 38 -3.427 -3.617 -5.304 1.00 0.00 C ATOM 606 C GLY A 38 -3.309 -4.457 -6.570 1.00 0.00 C ATOM 607 O GLY A 38 -3.004 -3.919 -7.634 1.00 0.00 O ATOM 0 H GLY A 38 -1.960 -2.276 -5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.548 -4.273 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.322 -2.998 -5.361 1.00 0.00 H new ATOM 611 N LYS A 39 -3.538 -5.776 -6.454 1.00 0.00 N ATOM 612 CA LYS A 39 -3.448 -6.696 -7.595 1.00 0.00 C ATOM 613 C LYS A 39 -2.025 -7.211 -7.778 1.00 0.00 C ATOM 614 O LYS A 39 -1.611 -7.552 -8.886 1.00 0.00 O ATOM 615 CB LYS A 39 -3.934 -6.047 -8.894 1.00 0.00 C ATOM 616 CG LYS A 39 -3.982 -7.014 -10.062 1.00 0.00 C ATOM 617 CD LYS A 39 -5.200 -6.778 -10.939 1.00 0.00 C ATOM 618 CE LYS A 39 -6.487 -7.144 -10.216 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.376 -8.452 -9.513 1.00 0.00 N ATOM 0 H LYS A 39 -3.788 -6.229 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.103 -7.537 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.928 -5.630 -8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.276 -5.215 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.077 -6.907 -10.660 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.997 -8.037 -9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.236 -5.731 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.113 -7.369 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.733 -6.364 -9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.307 -7.186 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.322 -8.771 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.955 -9.155 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.773 -8.344 -8.672 1.00 0.00 H new ATOM 633 N ILE A 40 -1.290 -7.284 -6.678 1.00 0.00 N ATOM 634 CA ILE A 40 0.082 -7.781 -6.705 1.00 0.00 C ATOM 635 C ILE A 40 0.073 -9.298 -6.678 1.00 0.00 C ATOM 636 O ILE A 40 0.927 -9.964 -7.263 1.00 0.00 O ATOM 637 CB ILE A 40 0.924 -7.225 -5.528 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.105 -8.260 -4.401 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.281 -5.959 -4.987 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.550 -8.480 -4.018 1.00 0.00 C ATOM 0 H ILE A 40 -1.619 -7.006 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 40 0.549 -7.433 -7.626 1.00 0.00 H new ATOM 0 HB ILE A 40 1.918 -6.994 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.550 -7.931 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.671 -9.209 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.877 -5.573 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.230 -5.211 -5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.726 -6.184 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.606 -9.220 -3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.106 -8.838 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.982 -7.541 -3.673 1.00 0.00 H new ATOM 652 N GLU A 41 -0.918 -9.819 -5.975 1.00 0.00 N ATOM 653 CA GLU A 41 -1.108 -11.252 -5.816 1.00 0.00 C ATOM 654 C GLU A 41 -0.927 -11.985 -7.142 1.00 0.00 C ATOM 655 O GLU A 41 0.165 -12.460 -7.448 1.00 0.00 O ATOM 656 CB GLU A 41 -2.500 -11.526 -5.234 1.00 0.00 C ATOM 657 CG GLU A 41 -3.572 -10.538 -5.699 1.00 0.00 C ATOM 658 CD GLU A 41 -4.806 -11.225 -6.255 1.00 0.00 C ATOM 659 OE1 GLU A 41 -4.942 -12.452 -6.064 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.636 -10.535 -6.884 1.00 0.00 O ATOM 0 H GLU A 41 -1.619 -9.256 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.351 -11.627 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.806 -12.535 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.440 -11.497 -4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.862 -9.903 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.150 -9.885 -6.463 1.00 0.00 H new ATOM 667 N MET A 42 -2.001 -12.068 -7.925 1.00 0.00 N ATOM 668 CA MET A 42 -1.968 -12.740 -9.226 1.00 0.00 C ATOM 669 C MET A 42 -1.191 -14.060 -9.159 1.00 0.00 C ATOM 670 O MET A 42 -1.771 -15.116 -8.905 1.00 0.00 O ATOM 671 CB MET A 42 -1.354 -11.815 -10.283 1.00 0.00 C ATOM 672 CG MET A 42 -2.222 -10.614 -10.616 1.00 0.00 C ATOM 673 SD MET A 42 -2.266 -10.253 -12.382 1.00 0.00 S ATOM 674 CE MET A 42 -0.551 -9.835 -12.685 1.00 0.00 C ATOM 0 H MET A 42 -2.911 -11.676 -7.681 1.00 0.00 H new ATOM 0 HA MET A 42 -2.995 -12.974 -9.507 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.384 -11.465 -9.929 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.174 -12.386 -11.194 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.237 -10.795 -10.261 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.848 -9.741 -10.080 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.435 -9.501 -13.716 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.246 -9.036 -12.009 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.073 -10.712 -12.515 1.00 0.00 H new ATOM 684 N GLY A 43 0.120 -13.994 -9.390 1.00 0.00 N ATOM 685 CA GLY A 43 0.944 -15.188 -9.351 1.00 0.00 C ATOM 686 C GLY A 43 2.415 -14.880 -9.522 1.00 0.00 C ATOM 687 O GLY A 43 3.164 -15.666 -10.100 1.00 0.00 O ATOM 0 H GLY A 43 0.624 -13.133 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.791 -15.701 -8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.625 -15.872 -10.137 1.00 0.00 H new ATOM 691 N GLU A 44 2.817 -13.726 -9.023 1.00 0.00 N ATOM 692 CA GLU A 44 4.206 -13.285 -9.117 1.00 0.00 C ATOM 693 C GLU A 44 5.015 -13.768 -7.913 1.00 0.00 C ATOM 694 O GLU A 44 4.565 -14.637 -7.167 1.00 0.00 O ATOM 695 CB GLU A 44 4.254 -11.760 -9.220 1.00 0.00 C ATOM 696 CG GLU A 44 4.475 -11.256 -10.638 1.00 0.00 C ATOM 697 CD GLU A 44 3.174 -11.000 -11.374 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.155 -10.733 -10.704 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.176 -11.066 -12.622 1.00 0.00 O ATOM 0 H GLU A 44 2.200 -13.069 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 44 4.652 -13.718 -10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.320 -11.348 -8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.053 -11.385 -8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.058 -10.335 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.064 -11.987 -11.192 1.00 0.00 H new ATOM 706 N THR A 45 6.207 -13.200 -7.719 1.00 0.00 N ATOM 707 CA THR A 45 7.055 -13.578 -6.600 1.00 0.00 C ATOM 708 C THR A 45 6.949 -12.538 -5.492 1.00 0.00 C ATOM 709 O THR A 45 6.502 -11.416 -5.730 1.00 0.00 O ATOM 710 CB THR A 45 8.512 -13.715 -7.059 1.00 0.00 C ATOM 711 OG1 THR A 45 8.629 -13.461 -8.448 1.00 0.00 O ATOM 712 CG2 THR A 45 9.097 -15.086 -6.795 1.00 0.00 C ATOM 0 H THR A 45 6.601 -12.479 -8.324 1.00 0.00 H new ATOM 0 HA THR A 45 6.720 -14.541 -6.215 1.00 0.00 H new ATOM 0 HB THR A 45 9.066 -12.981 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.566 -13.552 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.129 -15.114 -7.144 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.069 -15.294 -5.725 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.514 -15.839 -7.326 1.00 0.00 H new ATOM 720 N PRO A 46 7.358 -12.887 -4.262 1.00 0.00 N ATOM 721 CA PRO A 46 7.306 -11.974 -3.125 1.00 0.00 C ATOM 722 C PRO A 46 7.802 -10.575 -3.481 1.00 0.00 C ATOM 723 O PRO A 46 7.380 -9.586 -2.885 1.00 0.00 O ATOM 724 CB PRO A 46 8.233 -12.630 -2.085 1.00 0.00 C ATOM 725 CG PRO A 46 8.854 -13.804 -2.773 1.00 0.00 C ATOM 726 CD PRO A 46 7.907 -14.186 -3.868 1.00 0.00 C ATOM 0 HA PRO A 46 6.286 -11.831 -2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.995 -11.929 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.672 -12.945 -1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.834 -13.547 -3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.002 -14.631 -2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.417 -14.681 -4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.132 -14.867 -3.518 1.00 0.00 H new ATOM 734 N GLU A 47 8.716 -10.500 -4.444 1.00 0.00 N ATOM 735 CA GLU A 47 9.276 -9.220 -4.859 1.00 0.00 C ATOM 736 C GLU A 47 8.720 -8.738 -6.203 1.00 0.00 C ATOM 737 O GLU A 47 8.367 -7.571 -6.347 1.00 0.00 O ATOM 738 CB GLU A 47 10.801 -9.316 -4.937 1.00 0.00 C ATOM 739 CG GLU A 47 11.496 -9.001 -3.621 1.00 0.00 C ATOM 740 CD GLU A 47 11.567 -10.201 -2.698 1.00 0.00 C ATOM 741 OE1 GLU A 47 10.764 -11.140 -2.881 1.00 0.00 O ATOM 742 OE2 GLU A 47 12.423 -10.201 -1.789 1.00 0.00 O ATOM 0 H GLU A 47 9.083 -11.307 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 47 8.984 -8.487 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.078 -10.321 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.162 -8.630 -5.703 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.505 -8.643 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.966 -8.192 -3.119 1.00 0.00 H new ATOM 749 N GLN A 48 8.674 -9.628 -7.197 1.00 0.00 N ATOM 750 CA GLN A 48 8.199 -9.257 -8.530 1.00 0.00 C ATOM 751 C GLN A 48 6.682 -9.077 -8.584 1.00 0.00 C ATOM 752 O GLN A 48 6.139 -8.681 -9.616 1.00 0.00 O ATOM 753 CB GLN A 48 8.690 -10.287 -9.568 1.00 0.00 C ATOM 754 CG GLN A 48 7.607 -11.175 -10.174 1.00 0.00 C ATOM 755 CD GLN A 48 7.263 -10.782 -11.597 1.00 0.00 C ATOM 756 OE1 GLN A 48 7.069 -11.638 -12.461 1.00 0.00 O ATOM 757 NE2 GLN A 48 7.186 -9.480 -11.850 1.00 0.00 N ATOM 0 H GLN A 48 8.958 -10.603 -7.105 1.00 0.00 H new ATOM 0 HA GLN A 48 8.622 -8.283 -8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.191 -9.753 -10.375 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.437 -10.925 -9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.941 -12.212 -10.158 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.709 -11.119 -9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.354 -8.805 -11.104 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.959 -9.156 -12.790 1.00 0.00 H new ATOM 766 N ALA A 49 5.999 -9.352 -7.479 1.00 0.00 N ATOM 767 CA ALA A 49 4.551 -9.199 -7.432 1.00 0.00 C ATOM 768 C ALA A 49 4.169 -7.739 -7.221 1.00 0.00 C ATOM 769 O ALA A 49 3.393 -7.171 -7.988 1.00 0.00 O ATOM 770 CB ALA A 49 3.961 -10.070 -6.334 1.00 0.00 C ATOM 0 H ALA A 49 6.421 -9.680 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 49 4.141 -9.523 -8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.879 -9.944 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.201 -11.115 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.380 -9.776 -5.372 1.00 0.00 H new ATOM 776 N VAL A 50 4.742 -7.133 -6.190 1.00 0.00 N ATOM 777 CA VAL A 50 4.481 -5.730 -5.899 1.00 0.00 C ATOM 778 C VAL A 50 5.303 -4.819 -6.806 1.00 0.00 C ATOM 779 O VAL A 50 4.839 -3.757 -7.217 1.00 0.00 O ATOM 780 CB VAL A 50 4.760 -5.369 -4.424 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.074 -5.967 -3.952 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.753 -3.856 -4.238 1.00 0.00 C ATOM 0 H VAL A 50 5.387 -7.588 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 50 3.419 -5.573 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 50 3.965 -5.796 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.244 -5.696 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.033 -7.052 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.890 -5.582 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.951 -3.617 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.524 -3.409 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.779 -3.459 -4.523 1.00 0.00 H new ATOM 792 N VAL A 51 6.528 -5.236 -7.110 1.00 0.00 N ATOM 793 CA VAL A 51 7.408 -4.444 -7.963 1.00 0.00 C ATOM 794 C VAL A 51 6.699 -4.044 -9.253 1.00 0.00 C ATOM 795 O VAL A 51 6.917 -2.950 -9.774 1.00 0.00 O ATOM 796 CB VAL A 51 8.717 -5.199 -8.292 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.498 -4.492 -9.394 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.574 -5.338 -7.043 1.00 0.00 C ATOM 0 H VAL A 51 6.932 -6.113 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 51 7.668 -3.543 -7.407 1.00 0.00 H new ATOM 0 HB VAL A 51 8.452 -6.193 -8.651 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.413 -5.046 -9.604 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.889 -4.442 -10.297 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.751 -3.482 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.492 -5.871 -7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.821 -4.348 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.024 -5.894 -6.284 1.00 0.00 H new ATOM 808 N ARG A 52 5.852 -4.930 -9.766 1.00 0.00 N ATOM 809 CA ARG A 52 5.121 -4.650 -10.995 1.00 0.00 C ATOM 810 C ARG A 52 3.955 -3.704 -10.736 1.00 0.00 C ATOM 811 O ARG A 52 3.575 -2.918 -11.603 1.00 0.00 O ATOM 812 CB ARG A 52 4.619 -5.948 -11.628 1.00 0.00 C ATOM 813 CG ARG A 52 3.845 -5.735 -12.920 1.00 0.00 C ATOM 814 CD ARG A 52 3.676 -7.035 -13.692 1.00 0.00 C ATOM 815 NE ARG A 52 4.430 -7.030 -14.942 1.00 0.00 N ATOM 816 CZ ARG A 52 4.184 -7.852 -15.960 1.00 0.00 C ATOM 817 NH1 ARG A 52 3.207 -8.746 -15.880 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.917 -7.779 -17.063 1.00 0.00 N ATOM 0 H ARG A 52 5.656 -5.842 -9.353 1.00 0.00 H new ATOM 0 HA ARG A 52 5.806 -4.163 -11.689 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.471 -6.598 -11.827 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.981 -6.468 -10.913 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.865 -5.316 -12.693 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.367 -5.007 -13.542 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.005 -7.870 -13.073 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.619 -7.195 -13.906 1.00 0.00 H new ATOM 0 HE ARG A 52 5.190 -6.357 -15.041 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.639 -8.807 -15.035 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.024 -9.373 -16.664 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.669 -7.093 -17.131 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.729 -8.409 -17.843 1.00 0.00 H new ATOM 832 N GLU A 53 3.424 -3.757 -9.524 1.00 0.00 N ATOM 833 CA GLU A 53 2.335 -2.874 -9.131 1.00 0.00 C ATOM 834 C GLU A 53 2.907 -1.502 -8.795 1.00 0.00 C ATOM 835 O GLU A 53 2.300 -0.472 -9.055 1.00 0.00 O ATOM 836 CB GLU A 53 1.586 -3.448 -7.924 1.00 0.00 C ATOM 837 CG GLU A 53 0.124 -3.753 -8.205 1.00 0.00 C ATOM 838 CD GLU A 53 -0.057 -4.825 -9.261 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.908 -5.574 -9.519 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.165 -4.916 -9.831 1.00 0.00 O ATOM 0 H GLU A 53 3.729 -4.402 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 53 1.627 -2.784 -9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.083 -4.362 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.649 -2.740 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.360 -4.072 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.377 -2.841 -8.529 1.00 0.00 H new ATOM 847 N LEU A 54 4.068 -1.536 -8.155 1.00 0.00 N ATOM 848 CA LEU A 54 4.722 -0.316 -7.708 1.00 0.00 C ATOM 849 C LEU A 54 4.740 0.690 -8.849 1.00 0.00 C ATOM 850 O LEU A 54 4.369 1.848 -8.676 1.00 0.00 O ATOM 851 CB LEU A 54 6.142 -0.614 -7.245 1.00 0.00 C ATOM 852 CG LEU A 54 6.521 0.031 -5.920 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.252 -0.922 -4.768 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.974 0.469 -5.942 1.00 0.00 C ATOM 0 H LEU A 54 4.575 -2.393 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 54 4.169 0.101 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.263 -1.694 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.839 -0.276 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 54 5.904 0.917 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.529 -0.444 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.193 -1.177 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.841 -1.829 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.230 0.929 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.613 -0.398 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.124 1.191 -6.744 1.00 0.00 H new ATOM 866 N GLN A 55 5.159 0.234 -10.017 1.00 0.00 N ATOM 867 CA GLN A 55 5.208 1.100 -11.194 1.00 0.00 C ATOM 868 C GLN A 55 3.802 1.314 -11.744 1.00 0.00 C ATOM 869 O GLN A 55 3.481 2.374 -12.281 1.00 0.00 O ATOM 870 CB GLN A 55 6.105 0.489 -12.272 1.00 0.00 C ATOM 871 CG GLN A 55 6.216 1.343 -13.526 1.00 0.00 C ATOM 872 CD GLN A 55 5.351 0.827 -14.661 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.314 0.204 -14.432 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.775 1.086 -15.892 1.00 0.00 N ATOM 0 H GLN A 55 5.469 -0.724 -10.181 1.00 0.00 H new ATOM 0 HA GLN A 55 5.626 2.063 -10.900 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.102 0.334 -11.859 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.716 -0.492 -12.544 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.927 2.367 -13.290 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.256 1.372 -13.851 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.641 1.606 -16.034 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.235 0.765 -16.696 1.00 0.00 H new ATOM 883 N GLU A 56 2.972 0.291 -11.594 1.00 0.00 N ATOM 884 CA GLU A 56 1.592 0.339 -12.060 1.00 0.00 C ATOM 885 C GLU A 56 0.757 1.285 -11.206 1.00 0.00 C ATOM 886 O GLU A 56 -0.278 1.777 -11.647 1.00 0.00 O ATOM 887 CB GLU A 56 0.971 -1.057 -12.023 1.00 0.00 C ATOM 888 CG GLU A 56 0.024 -1.336 -13.179 1.00 0.00 C ATOM 889 CD GLU A 56 -1.240 -2.054 -12.741 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.312 -2.477 -11.567 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.160 -2.192 -13.575 1.00 0.00 O ATOM 0 H GLU A 56 3.233 -0.589 -11.150 1.00 0.00 H new ATOM 0 HA GLU A 56 1.600 0.708 -13.086 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.769 -1.800 -12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.430 -1.180 -11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.245 -0.395 -13.658 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.539 -1.939 -13.927 1.00 0.00 H new ATOM 898 N GLU A 57 1.197 1.513 -9.971 1.00 0.00 N ATOM 899 CA GLU A 57 0.470 2.373 -9.048 1.00 0.00 C ATOM 900 C GLU A 57 1.192 3.701 -8.798 1.00 0.00 C ATOM 901 O GLU A 57 0.755 4.500 -7.969 1.00 0.00 O ATOM 902 CB GLU A 57 0.251 1.641 -7.727 1.00 0.00 C ATOM 903 CG GLU A 57 -1.113 0.979 -7.619 1.00 0.00 C ATOM 904 CD GLU A 57 -1.060 -0.513 -7.880 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.651 -1.260 -6.967 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.427 -0.934 -8.997 1.00 0.00 O ATOM 0 H GLU A 57 2.054 1.113 -9.589 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.490 2.609 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.025 0.882 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.369 2.347 -6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.520 1.156 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.796 1.444 -8.330 1.00 0.00 H new ATOM 913 N VAL A 58 2.287 3.937 -9.514 1.00 0.00 N ATOM 914 CA VAL A 58 3.047 5.173 -9.356 1.00 0.00 C ATOM 915 C VAL A 58 3.405 5.762 -10.716 1.00 0.00 C ATOM 916 O VAL A 58 3.263 6.962 -10.946 1.00 0.00 O ATOM 917 CB VAL A 58 4.334 4.943 -8.537 1.00 0.00 C ATOM 918 CG1 VAL A 58 4.985 6.270 -8.180 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.033 4.139 -7.280 1.00 0.00 C ATOM 0 H VAL A 58 2.667 3.292 -10.207 1.00 0.00 H new ATOM 0 HA VAL A 58 2.414 5.876 -8.814 1.00 0.00 H new ATOM 0 HB VAL A 58 5.032 4.372 -9.149 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.891 6.087 -7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.239 6.808 -9.093 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.292 6.868 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.953 3.987 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.315 4.681 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.614 3.172 -7.558 1.00 0.00 H new ATOM 929 N GLY A 59 3.847 4.893 -11.620 1.00 0.00 N ATOM 930 CA GLY A 59 4.198 5.314 -12.963 1.00 0.00 C ATOM 931 C GLY A 59 5.344 6.313 -13.034 1.00 0.00 C ATOM 932 O GLY A 59 5.632 6.843 -14.107 1.00 0.00 O ATOM 0 H GLY A 59 3.969 3.896 -11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.464 4.434 -13.548 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.319 5.755 -13.433 1.00 0.00 H new ATOM 936 N ILE A 60 6.011 6.572 -11.914 1.00 0.00 N ATOM 937 CA ILE A 60 7.125 7.508 -11.901 1.00 0.00 C ATOM 938 C ILE A 60 8.378 6.841 -11.343 1.00 0.00 C ATOM 939 O ILE A 60 8.424 5.622 -11.191 1.00 0.00 O ATOM 940 CB ILE A 60 6.820 8.781 -11.073 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.507 8.668 -10.294 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.794 10.006 -11.973 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.566 9.348 -8.943 1.00 0.00 C ATOM 0 H ILE A 60 5.800 6.149 -11.010 1.00 0.00 H new ATOM 0 HA ILE A 60 7.289 7.808 -12.936 1.00 0.00 H new ATOM 0 HB ILE A 60 7.622 8.887 -10.342 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.702 9.108 -10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.262 7.615 -10.155 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.578 10.892 -11.376 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.763 10.122 -12.457 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.021 9.883 -12.732 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.607 9.235 -8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.351 8.892 -8.340 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.782 10.408 -9.078 1.00 0.00 H new ATOM 955 N THR A 61 9.394 7.651 -11.052 1.00 0.00 N ATOM 956 CA THR A 61 10.650 7.160 -10.517 1.00 0.00 C ATOM 957 C THR A 61 10.754 7.471 -9.026 1.00 0.00 C ATOM 958 O THR A 61 11.219 8.542 -8.637 1.00 0.00 O ATOM 959 CB THR A 61 11.815 7.797 -11.281 1.00 0.00 C ATOM 960 OG1 THR A 61 12.687 8.506 -10.418 1.00 0.00 O ATOM 961 CG2 THR A 61 11.396 8.746 -12.390 1.00 0.00 C ATOM 0 H THR A 61 9.364 8.662 -11.182 1.00 0.00 H new ATOM 0 HA THR A 61 10.692 6.078 -10.640 1.00 0.00 H new ATOM 0 HB THR A 61 12.321 6.945 -11.735 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.932 9.360 -10.831 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.283 9.151 -12.877 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.794 8.207 -13.122 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.810 9.562 -11.968 1.00 0.00 H new ATOM 969 N PRO A 62 10.273 6.564 -8.164 1.00 0.00 N ATOM 970 CA PRO A 62 10.263 6.758 -6.738 1.00 0.00 C ATOM 971 C PRO A 62 11.207 5.852 -5.979 1.00 0.00 C ATOM 972 O PRO A 62 11.221 4.641 -6.203 1.00 0.00 O ATOM 973 CB PRO A 62 8.830 6.328 -6.442 1.00 0.00 C ATOM 974 CG PRO A 62 8.625 5.143 -7.342 1.00 0.00 C ATOM 975 CD PRO A 62 9.617 5.290 -8.481 1.00 0.00 C ATOM 0 HA PRO A 62 10.568 7.763 -6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.700 6.062 -5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.119 7.125 -6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.791 4.212 -6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.603 5.115 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.327 4.464 -8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.121 5.319 -9.451 1.00 0.00 H new ATOM 983 N GLN A 63 11.933 6.415 -5.015 1.00 0.00 N ATOM 984 CA GLN A 63 12.775 5.585 -4.184 1.00 0.00 C ATOM 985 C GLN A 63 11.815 4.878 -3.253 1.00 0.00 C ATOM 986 O GLN A 63 11.599 5.285 -2.111 1.00 0.00 O ATOM 987 CB GLN A 63 13.785 6.423 -3.399 1.00 0.00 C ATOM 988 CG GLN A 63 14.620 7.343 -4.274 1.00 0.00 C ATOM 989 CD GLN A 63 15.474 8.301 -3.465 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.971 7.954 -2.394 1.00 0.00 O ATOM 991 NE2 GLN A 63 15.647 9.514 -3.976 1.00 0.00 N ATOM 0 H GLN A 63 11.951 7.412 -4.801 1.00 0.00 H new ATOM 0 HA GLN A 63 13.369 4.887 -4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.252 7.022 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.449 5.756 -2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.264 6.742 -4.916 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.961 7.914 -4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.216 9.758 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.211 10.202 -3.477 1.00 0.00 H new ATOM 1000 N HIS A 64 11.190 3.854 -3.802 1.00 0.00 N ATOM 1001 CA HIS A 64 10.172 3.091 -3.112 1.00 0.00 C ATOM 1002 C HIS A 64 10.619 1.656 -2.949 1.00 0.00 C ATOM 1003 O HIS A 64 10.965 0.987 -3.923 1.00 0.00 O ATOM 1004 CB HIS A 64 8.888 3.184 -3.942 1.00 0.00 C ATOM 1005 CG HIS A 64 7.745 2.322 -3.480 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.700 1.245 -2.656 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.444 2.533 -3.894 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 6.392 0.836 -2.590 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.655 1.627 -3.345 1.00 0.00 N flip ATOM 0 H HIS A 64 11.378 3.526 -4.750 1.00 0.00 H new ATOM 0 HA HIS A 64 9.995 3.488 -2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.556 4.222 -3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.124 2.919 -4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.122 3.317 -4.563 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.025 0.000 -2.012 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.647 1.552 -3.482 1.00 0.00 H new ATOM 1018 N PHE A 65 10.629 1.187 -1.710 1.00 0.00 N ATOM 1019 CA PHE A 65 11.053 -0.160 -1.424 1.00 0.00 C ATOM 1020 C PHE A 65 11.033 -0.418 0.077 1.00 0.00 C ATOM 1021 O PHE A 65 10.578 0.413 0.854 1.00 0.00 O ATOM 1022 CB PHE A 65 12.464 -0.337 -1.950 1.00 0.00 C ATOM 1023 CG PHE A 65 12.692 -1.599 -2.742 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.863 -2.702 -2.593 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.739 -1.674 -3.649 1.00 0.00 C ATOM 1026 CE1 PHE A 65 12.073 -3.851 -3.332 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.955 -2.822 -4.389 1.00 0.00 C ATOM 1028 CZ PHE A 65 13.120 -3.912 -4.230 1.00 0.00 C ATOM 0 H PHE A 65 10.347 1.726 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 65 10.375 -0.866 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.712 0.519 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.155 -0.325 -1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 65 11.043 -2.662 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.394 -0.825 -3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.418 -4.701 -3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.775 -2.867 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.286 -4.810 -4.807 1.00 0.00 H new ATOM 1038 N SER A 66 11.536 -1.577 0.475 1.00 0.00 N ATOM 1039 CA SER A 66 11.592 -1.956 1.879 1.00 0.00 C ATOM 1040 C SER A 66 10.210 -2.324 2.383 1.00 0.00 C ATOM 1041 O SER A 66 9.205 -1.874 1.840 1.00 0.00 O ATOM 1042 CB SER A 66 12.179 -0.821 2.726 1.00 0.00 C ATOM 1043 OG SER A 66 13.228 -1.292 3.553 1.00 0.00 O ATOM 0 H SER A 66 11.915 -2.278 -0.162 1.00 0.00 H new ATOM 0 HA SER A 66 12.243 -2.826 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.553 -0.032 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.395 -0.381 3.343 1.00 0.00 H new ATOM 0 HG SER A 66 13.587 -0.549 4.082 1.00 0.00 H new ATOM 1049 N LEU A 67 10.167 -3.145 3.423 1.00 0.00 N ATOM 1050 CA LEU A 67 8.905 -3.577 4.002 1.00 0.00 C ATOM 1051 C LEU A 67 8.772 -3.071 5.430 1.00 0.00 C ATOM 1052 O LEU A 67 9.519 -3.492 6.314 1.00 0.00 O ATOM 1053 CB LEU A 67 8.808 -5.106 3.972 1.00 0.00 C ATOM 1054 CG LEU A 67 7.658 -5.706 4.788 1.00 0.00 C ATOM 1055 CD1 LEU A 67 7.012 -6.860 4.035 1.00 0.00 C ATOM 1056 CD2 LEU A 67 8.157 -6.168 6.150 1.00 0.00 C ATOM 0 H LEU A 67 10.994 -3.525 3.883 1.00 0.00 H new ATOM 0 HA LEU A 67 8.091 -3.159 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.702 -5.426 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.747 -5.520 4.339 1.00 0.00 H new ATOM 0 HG LEU A 67 6.904 -4.933 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.198 -7.273 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.619 -6.500 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.755 -7.635 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.328 -6.592 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.930 -6.925 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.571 -5.319 6.693 1.00 0.00 H new ATOM 1068 N PHE A 68 7.829 -2.160 5.661 1.00 0.00 N ATOM 1069 CA PHE A 68 7.636 -1.605 6.991 1.00 0.00 C ATOM 1070 C PHE A 68 6.946 -2.640 7.879 1.00 0.00 C ATOM 1071 O PHE A 68 7.224 -2.742 9.073 1.00 0.00 O ATOM 1072 CB PHE A 68 6.804 -0.310 6.905 1.00 0.00 C ATOM 1073 CG PHE A 68 5.577 -0.285 7.783 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.496 -1.106 7.505 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.507 0.558 8.880 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.370 -1.090 8.303 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.382 0.580 9.684 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.311 -0.245 9.395 1.00 0.00 C ATOM 0 H PHE A 68 7.195 -1.796 4.950 1.00 0.00 H new ATOM 0 HA PHE A 68 8.603 -1.358 7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.442 0.533 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.496 -0.161 5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.535 -1.768 6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.340 1.205 9.110 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.536 -1.737 8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.340 1.241 10.537 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.431 -0.229 10.021 1.00 0.00 H new ATOM 1088 N GLU A 69 6.051 -3.412 7.270 1.00 0.00 N ATOM 1089 CA GLU A 69 5.316 -4.455 7.976 1.00 0.00 C ATOM 1090 C GLU A 69 4.517 -5.306 6.993 1.00 0.00 C ATOM 1091 O GLU A 69 4.352 -4.938 5.833 1.00 0.00 O ATOM 1092 CB GLU A 69 4.382 -3.840 9.019 1.00 0.00 C ATOM 1093 CG GLU A 69 4.224 -4.690 10.270 1.00 0.00 C ATOM 1094 CD GLU A 69 2.773 -4.917 10.644 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.145 -3.982 11.183 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.265 -6.032 10.401 1.00 0.00 O ATOM 0 H GLU A 69 5.816 -3.333 6.281 1.00 0.00 H new ATOM 0 HA GLU A 69 6.036 -5.095 8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.763 -2.859 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.401 -3.684 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.709 -5.653 10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.737 -4.206 11.101 1.00 0.00 H new ATOM 1103 N LYS A 70 4.014 -6.438 7.464 1.00 0.00 N ATOM 1104 CA LYS A 70 3.213 -7.327 6.629 1.00 0.00 C ATOM 1105 C LYS A 70 2.113 -7.966 7.468 1.00 0.00 C ATOM 1106 O LYS A 70 2.379 -8.452 8.568 1.00 0.00 O ATOM 1107 CB LYS A 70 4.092 -8.407 5.995 1.00 0.00 C ATOM 1108 CG LYS A 70 4.770 -9.311 7.011 1.00 0.00 C ATOM 1109 CD LYS A 70 5.693 -10.313 6.335 1.00 0.00 C ATOM 1110 CE LYS A 70 4.921 -11.254 5.425 1.00 0.00 C ATOM 1111 NZ LYS A 70 3.933 -12.073 6.181 1.00 0.00 N ATOM 0 H LYS A 70 4.146 -6.765 8.421 1.00 0.00 H new ATOM 0 HA LYS A 70 2.759 -6.744 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.481 -9.016 5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.854 -7.929 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.341 -8.705 7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.014 -9.843 7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.447 -9.781 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.223 -10.891 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.403 -10.675 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.619 -11.913 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.588 -12.846 5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.388 -12.472 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.133 -11.474 6.468 1.00 0.00 H new ATOM 1125 N LEU A 71 0.876 -7.959 6.976 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.221 -8.539 7.740 1.00 0.00 C ATOM 1127 C LEU A 71 -0.539 -9.970 7.305 1.00 0.00 C ATOM 1128 O LEU A 71 -0.942 -10.224 6.170 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.470 -7.654 7.609 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.820 -8.385 7.666 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.096 -8.888 9.075 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.942 -7.472 7.192 1.00 0.00 C ATOM 0 H LEU A 71 0.613 -7.567 6.072 1.00 0.00 H new ATOM 0 HA LEU A 71 0.092 -8.584 8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.449 -6.909 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.411 -7.114 6.664 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.774 -9.246 6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.056 -9.403 9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.308 -9.578 9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.122 -8.044 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.891 -8.007 7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.990 -6.591 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.750 -7.163 6.164 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.325 -10.889 8.234 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.555 -12.298 7.976 1.00 0.00 C ATOM 1146 C GLU A 72 -1.699 -12.842 8.828 1.00 0.00 C ATOM 1147 O GLU A 72 -1.564 -13.028 10.038 1.00 0.00 O ATOM 1148 CB GLU A 72 0.730 -13.086 8.232 1.00 0.00 C ATOM 1149 CG GLU A 72 0.514 -14.581 8.338 1.00 0.00 C ATOM 1150 CD GLU A 72 1.808 -15.349 8.526 1.00 0.00 C ATOM 1151 OE1 GLU A 72 2.419 -15.740 7.509 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.211 -15.559 9.690 1.00 0.00 O ATOM 0 H GLU A 72 0.009 -10.681 9.175 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.844 -12.413 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.436 -12.886 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.189 -12.727 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.152 -14.789 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.013 -14.936 7.437 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.819 -13.108 8.163 1.00 0.00 N ATOM 1160 CA TYR A 73 -4.006 -13.651 8.808 1.00 0.00 C ATOM 1161 C TYR A 73 -4.697 -14.651 7.883 1.00 0.00 C ATOM 1162 O TYR A 73 -4.936 -14.354 6.713 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.973 -12.525 9.184 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.571 -12.679 10.563 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -4.785 -12.545 11.701 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.922 -12.961 10.728 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.328 -12.686 12.964 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.471 -13.103 11.988 1.00 0.00 C ATOM 1169 CZ TYR A 73 -6.671 -12.965 13.102 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.215 -13.107 14.358 1.00 0.00 O ATOM 0 H TYR A 73 -2.928 -12.952 7.161 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.701 -14.166 9.719 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.447 -11.572 9.129 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.778 -12.488 8.450 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.732 -12.327 11.597 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.552 -13.071 9.858 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.703 -12.578 13.838 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.523 -13.321 12.100 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.173 -13.301 14.280 1.00 0.00 H new ATOM 1180 N GLU A 74 -5.015 -15.832 8.401 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.677 -16.851 7.591 1.00 0.00 C ATOM 1182 C GLU A 74 -7.072 -17.163 8.113 1.00 0.00 C ATOM 1183 O GLU A 74 -7.249 -17.568 9.261 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.851 -18.138 7.523 1.00 0.00 C ATOM 1185 CG GLU A 74 -4.154 -18.498 8.825 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.890 -19.306 8.607 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -2.761 -19.927 7.530 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -2.030 -19.321 9.513 1.00 0.00 O ATOM 0 H GLU A 74 -4.829 -16.107 9.365 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.767 -16.441 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.504 -18.961 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.101 -18.035 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.908 -17.584 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.839 -19.066 9.455 1.00 0.00 H new ATOM 1195 N PHE A 75 -8.057 -16.976 7.245 1.00 0.00 N ATOM 1196 CA PHE A 75 -9.444 -17.236 7.576 1.00 0.00 C ATOM 1197 C PHE A 75 -9.819 -18.667 7.189 1.00 0.00 C ATOM 1198 O PHE A 75 -9.116 -19.299 6.404 1.00 0.00 O ATOM 1199 CB PHE A 75 -10.340 -16.234 6.847 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.725 -15.045 7.681 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -9.837 -13.995 7.857 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -11.969 -14.975 8.287 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -10.184 -12.897 8.622 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -12.321 -13.881 9.055 1.00 0.00 C ATOM 1205 CZ PHE A 75 -11.428 -12.841 9.222 1.00 0.00 C ATOM 0 H PHE A 75 -7.913 -16.640 6.293 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.585 -17.122 8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.826 -15.886 5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -11.246 -16.743 6.518 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.863 -14.035 7.391 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -12.672 -15.785 8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.484 -12.084 8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -13.293 -13.840 9.524 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.701 -11.985 9.821 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.933 -19.191 7.740 1.00 0.00 N ATOM 1216 CA PRO A 76 -11.428 -20.540 7.475 1.00 0.00 C ATOM 1217 C PRO A 76 -11.156 -21.017 6.050 1.00 0.00 C ATOM 1218 O PRO A 76 -12.031 -20.970 5.185 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.942 -20.417 7.728 1.00 0.00 C ATOM 1220 CG PRO A 76 -13.164 -19.040 8.284 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.813 -18.505 8.670 1.00 0.00 C ATOM 0 HA PRO A 76 -10.930 -21.278 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.504 -20.559 6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.283 -21.179 8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.638 -18.396 7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.828 -19.074 9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.757 -17.422 8.559 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.566 -18.733 9.707 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.926 -21.472 5.829 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.482 -21.974 4.525 1.00 0.00 C ATOM 1231 C ASP A 77 -8.949 -20.844 3.650 1.00 0.00 C ATOM 1232 O ASP A 77 -7.866 -20.951 3.074 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.616 -22.707 3.798 1.00 0.00 C ATOM 1234 CG ASP A 77 -10.102 -23.648 2.726 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -9.179 -24.436 3.022 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -10.622 -23.597 1.592 1.00 0.00 O ATOM 0 H ASP A 77 -9.204 -21.505 6.549 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.673 -22.681 4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -11.203 -23.272 4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.286 -21.976 3.345 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.712 -19.763 3.556 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.314 -18.612 2.753 1.00 0.00 C ATOM 1243 C ARG A 78 -8.400 -17.690 3.553 1.00 0.00 C ATOM 1244 O ARG A 78 -8.846 -17.015 4.477 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.551 -17.845 2.283 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.494 -17.434 0.820 1.00 0.00 C ATOM 1247 CD ARG A 78 -10.102 -15.974 0.662 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.051 -15.074 1.319 1.00 0.00 N ATOM 1249 CZ ARG A 78 -10.854 -14.525 2.518 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -9.752 -14.787 3.209 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -11.769 -13.713 3.028 1.00 0.00 N ATOM 0 H ARG A 78 -10.611 -19.658 4.026 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.767 -18.972 1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.434 -18.463 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.670 -16.953 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.776 -18.063 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.466 -17.602 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.107 -15.819 1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.044 -15.728 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.918 -14.853 0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.045 -15.414 2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.611 -14.362 4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.620 -13.510 2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.622 -13.291 3.945 1.00 0.00 H new ATOM 1265 N HIS A 79 -7.117 -17.670 3.203 1.00 0.00 N ATOM 1266 CA HIS A 79 -6.146 -16.840 3.894 1.00 0.00 C ATOM 1267 C HIS A 79 -5.886 -15.546 3.125 1.00 0.00 C ATOM 1268 O HIS A 79 -6.054 -15.491 1.906 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.856 -17.646 4.097 1.00 0.00 C ATOM 1270 CG HIS A 79 -3.591 -16.847 4.029 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -3.144 -16.244 2.872 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -2.664 -16.572 4.976 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -1.998 -15.636 3.111 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -1.684 -15.819 4.382 1.00 0.00 N ATOM 0 H HIS A 79 -6.728 -18.224 2.440 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.540 -16.553 4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.904 -18.140 5.067 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.813 -18.430 3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.691 -16.887 6.009 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.415 -15.082 2.390 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.849 -15.459 4.845 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.472 -14.509 3.848 1.00 0.00 N ATOM 1284 CA ILE A 80 -5.182 -13.217 3.253 1.00 0.00 C ATOM 1285 C ILE A 80 -3.885 -12.659 3.834 1.00 0.00 C ATOM 1286 O ILE A 80 -3.665 -12.728 5.043 1.00 0.00 O ATOM 1287 CB ILE A 80 -6.332 -12.219 3.510 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.886 -10.797 3.184 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.798 -12.306 4.956 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -7.022 -9.799 3.134 1.00 0.00 C ATOM 0 H ILE A 80 -5.330 -14.545 4.857 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.075 -13.354 2.177 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.166 -12.480 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.162 -10.473 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.373 -10.798 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.609 -11.596 5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.152 -13.316 5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.968 -12.068 5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.628 -8.811 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.736 -10.098 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.522 -9.768 4.102 1.00 0.00 H new ATOM 1302 N THR A 81 -3.028 -12.100 2.983 1.00 0.00 N ATOM 1303 CA THR A 81 -1.766 -11.532 3.444 1.00 0.00 C ATOM 1304 C THR A 81 -1.519 -10.166 2.801 1.00 0.00 C ATOM 1305 O THR A 81 -1.613 -10.018 1.582 1.00 0.00 O ATOM 1306 CB THR A 81 -0.612 -12.493 3.133 1.00 0.00 C ATOM 1307 OG1 THR A 81 -0.592 -13.561 4.060 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.752 -11.843 3.174 1.00 0.00 C ATOM 0 H THR A 81 -3.184 -12.029 1.977 1.00 0.00 H new ATOM 0 HA THR A 81 -1.822 -11.391 4.523 1.00 0.00 H new ATOM 0 HB THR A 81 -0.800 -12.839 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.488 -13.683 4.438 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.516 -12.586 2.944 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.794 -11.039 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.931 -11.435 4.169 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.204 -9.173 3.627 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.943 -7.822 3.138 1.00 0.00 C ATOM 1318 C LEU A 82 0.501 -7.403 3.415 1.00 0.00 C ATOM 1319 O LEU A 82 0.921 -7.341 4.565 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.903 -6.829 3.799 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.217 -6.600 3.051 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.369 -6.431 4.029 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.105 -5.385 2.144 1.00 0.00 C ATOM 0 H LEU A 82 -1.123 -9.278 4.638 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.101 -7.819 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.132 -7.183 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.393 -5.872 3.907 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.419 -7.476 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.295 -6.269 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.463 -7.329 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.176 -5.573 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.048 -5.235 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.879 -4.503 2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.307 -5.545 1.419 1.00 0.00 H new ATOM 1335 N TRP A 83 1.257 -7.100 2.362 1.00 0.00 N ATOM 1336 CA TRP A 83 2.645 -6.674 2.531 1.00 0.00 C ATOM 1337 C TRP A 83 2.753 -5.156 2.491 1.00 0.00 C ATOM 1338 O TRP A 83 2.376 -4.530 1.503 1.00 0.00 O ATOM 1339 CB TRP A 83 3.560 -7.253 1.441 1.00 0.00 C ATOM 1340 CG TRP A 83 3.178 -8.613 0.941 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.362 -9.521 1.548 1.00 0.00 C ATOM 1342 CD2 TRP A 83 3.615 -9.218 -0.280 1.00 0.00 C ATOM 1343 NE1 TRP A 83 2.262 -10.654 0.773 1.00 0.00 N ATOM 1344 CE2 TRP A 83 3.023 -10.491 -0.352 1.00 0.00 C ATOM 1345 CE3 TRP A 83 4.451 -8.805 -1.321 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 3.238 -11.354 -1.423 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 4.663 -9.662 -2.383 1.00 0.00 C ATOM 1348 CH2 TRP A 83 4.059 -10.924 -2.428 1.00 0.00 C ATOM 0 H TRP A 83 0.938 -7.140 1.394 1.00 0.00 H new ATOM 0 HA TRP A 83 2.968 -7.049 3.502 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.573 -6.564 0.597 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.577 -7.299 1.830 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.867 -9.373 2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.710 -11.481 1.001 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.922 -7.834 -1.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.773 -12.328 -1.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 5.306 -9.353 -3.193 1.00 0.00 H new ATOM 0 HH2 TRP A 83 4.245 -11.570 -3.273 1.00 0.00 H new ATOM 1359 N PHE A 84 3.303 -4.565 3.546 1.00 0.00 N ATOM 1360 CA PHE A 84 3.486 -3.118 3.585 1.00 0.00 C ATOM 1361 C PHE A 84 4.949 -2.791 3.278 1.00 0.00 C ATOM 1362 O PHE A 84 5.853 -3.286 3.950 1.00 0.00 O ATOM 1363 CB PHE A 84 3.066 -2.530 4.943 1.00 0.00 C ATOM 1364 CG PHE A 84 1.574 -2.400 5.133 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.696 -3.256 4.483 1.00 0.00 C ATOM 1366 CD2 PHE A 84 1.045 -1.418 5.967 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.670 -3.139 4.658 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.320 -1.299 6.142 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.178 -2.160 5.488 1.00 0.00 C ATOM 0 H PHE A 84 3.627 -5.059 4.378 1.00 0.00 H new ATOM 0 HA PHE A 84 2.844 -2.663 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.467 -3.159 5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.521 -1.546 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.086 -4.024 3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.710 -0.741 6.483 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.340 -3.813 4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.716 -0.532 6.791 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.245 -2.068 5.625 1.00 0.00 H new ATOM 1379 N TRP A 85 5.182 -1.966 2.257 1.00 0.00 N ATOM 1380 CA TRP A 85 6.544 -1.595 1.871 1.00 0.00 C ATOM 1381 C TRP A 85 6.840 -0.146 2.236 1.00 0.00 C ATOM 1382 O TRP A 85 6.066 0.750 1.896 1.00 0.00 O ATOM 1383 CB TRP A 85 6.748 -1.809 0.370 1.00 0.00 C ATOM 1384 CG TRP A 85 6.586 -3.237 -0.051 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.418 -3.937 -0.142 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.628 -4.141 -0.435 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.670 -5.222 -0.559 1.00 0.00 N ATOM 1388 CE2 TRP A 85 7.020 -5.371 -0.747 1.00 0.00 C ATOM 1389 CE3 TRP A 85 9.017 -4.029 -0.548 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.752 -6.481 -1.163 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.743 -5.130 -0.961 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.109 -6.342 -1.264 1.00 0.00 C ATOM 0 H TRP A 85 4.450 -1.544 1.685 1.00 0.00 H new ATOM 0 HA TRP A 85 7.236 -2.235 2.419 1.00 0.00 H new ATOM 0 HB2 TRP A 85 6.036 -1.193 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.745 -1.466 0.093 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.439 -3.539 0.081 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.967 -5.947 -0.705 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.514 -3.098 -0.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.266 -7.417 -1.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.817 -5.055 -1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.704 -7.184 -1.584 1.00 0.00 H new ATOM 1403 N LEU A 86 7.934 0.090 2.969 1.00 0.00 N ATOM 1404 CA LEU A 86 8.235 1.453 3.390 1.00 0.00 C ATOM 1405 C LEU A 86 8.925 2.275 2.291 1.00 0.00 C ATOM 1406 O LEU A 86 10.138 2.205 2.102 1.00 0.00 O ATOM 1407 CB LEU A 86 9.123 1.420 4.636 1.00 0.00 C ATOM 1408 CG LEU A 86 9.581 2.787 5.147 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.399 3.574 5.692 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.654 2.625 6.212 1.00 0.00 C ATOM 0 H LEU A 86 8.601 -0.620 3.272 1.00 0.00 H new ATOM 0 HA LEU A 86 7.285 1.940 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.581 0.914 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.005 0.818 4.418 1.00 0.00 H new ATOM 0 HG LEU A 86 10.008 3.343 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.742 4.544 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.663 3.720 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.943 3.023 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.968 3.607 6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.254 2.051 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.511 2.100 5.789 1.00 0.00 H new ATOM 1422 N VAL A 87 8.114 3.050 1.578 1.00 0.00 N ATOM 1423 CA VAL A 87 8.568 3.905 0.472 1.00 0.00 C ATOM 1424 C VAL A 87 9.278 5.143 0.961 1.00 0.00 C ATOM 1425 O VAL A 87 8.955 5.672 2.024 1.00 0.00 O ATOM 1426 CB VAL A 87 7.404 4.350 -0.402 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.892 5.000 -1.688 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.500 3.166 -0.689 1.00 0.00 C ATOM 0 H VAL A 87 7.110 3.107 1.749 1.00 0.00 H new ATOM 0 HA VAL A 87 9.261 3.294 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 87 6.831 5.105 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.036 5.306 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.497 5.874 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.494 4.286 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.667 3.487 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.067 2.393 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.115 2.766 0.249 1.00 0.00 H new ATOM 1438 N GLU A 88 10.267 5.591 0.195 1.00 0.00 N ATOM 1439 CA GLU A 88 11.020 6.766 0.601 1.00 0.00 C ATOM 1440 C GLU A 88 10.859 7.986 -0.324 1.00 0.00 C ATOM 1441 O GLU A 88 11.044 9.113 0.134 1.00 0.00 O ATOM 1442 CB GLU A 88 12.505 6.425 0.746 1.00 0.00 C ATOM 1443 CG GLU A 88 12.773 4.975 1.118 1.00 0.00 C ATOM 1444 CD GLU A 88 14.241 4.699 1.375 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.083 5.192 0.595 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.549 3.988 2.355 1.00 0.00 O ATOM 0 H GLU A 88 10.559 5.170 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 88 10.595 7.058 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.012 6.648 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.943 7.071 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.198 4.720 2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.421 4.327 0.315 1.00 0.00 H new ATOM 1453 N ARG A 89 10.547 7.802 -1.613 1.00 0.00 N ATOM 1454 CA ARG A 89 10.421 8.967 -2.502 1.00 0.00 C ATOM 1455 C ARG A 89 9.678 8.639 -3.796 1.00 0.00 C ATOM 1456 O ARG A 89 9.515 7.476 -4.147 1.00 0.00 O ATOM 1457 CB ARG A 89 11.823 9.545 -2.789 1.00 0.00 C ATOM 1458 CG ARG A 89 12.108 9.908 -4.246 1.00 0.00 C ATOM 1459 CD ARG A 89 11.769 11.361 -4.541 1.00 0.00 C ATOM 1460 NE ARG A 89 12.870 12.055 -5.204 1.00 0.00 N ATOM 1461 CZ ARG A 89 13.312 11.749 -6.423 1.00 0.00 C ATOM 1462 NH1 ARG A 89 12.749 10.765 -7.113 1.00 0.00 N ATOM 1463 NH2 ARG A 89 14.320 12.428 -6.953 1.00 0.00 N ATOM 0 H ARG A 89 10.382 6.896 -2.052 1.00 0.00 H new ATOM 0 HA ARG A 89 9.818 9.718 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.959 10.438 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.568 8.819 -2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.160 9.728 -4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.529 9.259 -4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.880 11.405 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.526 11.873 -3.610 1.00 0.00 H new ATOM 0 HE ARG A 89 13.327 12.818 -4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.974 10.239 -6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.092 10.535 -8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.757 13.185 -6.427 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.658 12.193 -7.886 1.00 0.00 H new ATOM 1477 N TRP A 90 9.261 9.689 -4.512 1.00 0.00 N ATOM 1478 CA TRP A 90 8.565 9.534 -5.788 1.00 0.00 C ATOM 1479 C TRP A 90 8.835 10.725 -6.707 1.00 0.00 C ATOM 1480 O TRP A 90 8.527 11.867 -6.365 1.00 0.00 O ATOM 1481 CB TRP A 90 7.063 9.313 -5.575 1.00 0.00 C ATOM 1482 CG TRP A 90 6.258 10.561 -5.385 1.00 0.00 C ATOM 1483 CD1 TRP A 90 5.921 11.479 -6.337 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.661 11.008 -4.165 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.158 12.475 -5.781 1.00 0.00 N ATOM 1486 CE2 TRP A 90 4.982 12.207 -4.450 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.638 10.511 -2.861 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.282 12.914 -3.477 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 4.943 11.214 -1.895 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.271 12.403 -2.207 1.00 0.00 C ATOM 0 H TRP A 90 9.396 10.659 -4.225 1.00 0.00 H new ATOM 0 HA TRP A 90 8.957 8.644 -6.281 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.666 8.770 -6.433 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.926 8.674 -4.703 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.212 11.429 -7.376 1.00 0.00 H new ATOM 0 HE1 TRP A 90 4.783 13.283 -6.278 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.153 9.595 -2.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.766 13.832 -3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.918 10.840 -0.882 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.734 12.927 -1.430 1.00 0.00 H new ATOM 1501 N GLU A 91 9.436 10.456 -7.874 1.00 0.00 N ATOM 1502 CA GLU A 91 9.757 11.515 -8.823 1.00 0.00 C ATOM 1503 C GLU A 91 8.498 12.058 -9.490 1.00 0.00 C ATOM 1504 O GLU A 91 7.522 11.334 -9.682 1.00 0.00 O ATOM 1505 CB GLU A 91 10.725 10.994 -9.885 1.00 0.00 C ATOM 1506 CG GLU A 91 11.158 12.051 -10.887 1.00 0.00 C ATOM 1507 CD GLU A 91 12.635 11.970 -11.219 1.00 0.00 C ATOM 1508 OE1 GLU A 91 13.087 10.891 -11.657 1.00 0.00 O ATOM 1509 OE2 GLU A 91 13.340 12.985 -11.040 1.00 0.00 O ATOM 0 H GLU A 91 9.705 9.520 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 91 10.229 12.329 -8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.609 10.590 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.254 10.170 -10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.577 11.938 -11.802 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.933 13.040 -10.487 1.00 0.00 H new ATOM 1516 N GLY A 92 8.530 13.340 -9.843 1.00 0.00 N ATOM 1517 CA GLY A 92 7.389 13.965 -10.489 1.00 0.00 C ATOM 1518 C GLY A 92 6.111 13.818 -9.687 1.00 0.00 C ATOM 1519 O GLY A 92 6.084 14.103 -8.490 1.00 0.00 O ATOM 0 H GLY A 92 9.327 13.958 -9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.598 15.024 -10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.247 13.523 -11.475 1.00 0.00 H new ATOM 1523 N GLU A 93 5.049 13.370 -10.349 1.00 0.00 N ATOM 1524 CA GLU A 93 3.760 13.181 -9.695 1.00 0.00 C ATOM 1525 C GLU A 93 3.364 11.706 -9.702 1.00 0.00 C ATOM 1526 O GLU A 93 3.575 11.009 -10.693 1.00 0.00 O ATOM 1527 CB GLU A 93 2.683 14.016 -10.393 1.00 0.00 C ATOM 1528 CG GLU A 93 1.304 13.875 -9.770 1.00 0.00 C ATOM 1529 CD GLU A 93 0.292 14.831 -10.371 1.00 0.00 C ATOM 1530 OE1 GLU A 93 -0.046 14.666 -11.562 1.00 0.00 O ATOM 1531 OE2 GLU A 93 -0.162 15.745 -9.651 1.00 0.00 O ATOM 0 H GLU A 93 5.056 13.131 -11.340 1.00 0.00 H new ATOM 0 HA GLU A 93 3.849 13.512 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.977 15.065 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.630 13.723 -11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.953 12.851 -9.901 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.374 14.053 -8.697 1.00 0.00 H new ATOM 1538 N PRO A 94 2.773 11.208 -8.600 1.00 0.00 N ATOM 1539 CA PRO A 94 2.340 9.819 -8.493 1.00 0.00 C ATOM 1540 C PRO A 94 1.049 9.582 -9.255 1.00 0.00 C ATOM 1541 O PRO A 94 0.075 10.312 -9.071 1.00 0.00 O ATOM 1542 CB PRO A 94 2.112 9.614 -6.984 1.00 0.00 C ATOM 1543 CG PRO A 94 2.539 10.887 -6.327 1.00 0.00 C ATOM 1544 CD PRO A 94 2.452 11.951 -7.381 1.00 0.00 C ATOM 0 HA PRO A 94 3.071 9.129 -8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.065 9.398 -6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.692 8.769 -6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.894 11.124 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.555 10.804 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.459 12.398 -7.427 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.158 12.761 -7.200 1.00 0.00 H new ATOM 1552 N TRP A 95 1.030 8.566 -10.106 1.00 0.00 N ATOM 1553 CA TRP A 95 -0.172 8.276 -10.867 1.00 0.00 C ATOM 1554 C TRP A 95 -0.386 6.784 -11.062 1.00 0.00 C ATOM 1555 O TRP A 95 -1.422 6.244 -10.678 1.00 0.00 O ATOM 1556 CB TRP A 95 -0.138 8.968 -12.232 1.00 0.00 C ATOM 1557 CG TRP A 95 1.120 8.734 -13.026 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.233 9.518 -13.028 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.392 7.658 -13.941 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.171 9.018 -13.899 1.00 0.00 N ATOM 1561 CE2 TRP A 95 2.679 7.876 -14.471 1.00 0.00 C ATOM 1562 CE3 TRP A 95 0.674 6.536 -14.366 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.255 7.019 -15.406 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.250 5.685 -15.290 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.527 5.933 -15.805 1.00 0.00 C ATOM 0 H TRP A 95 1.817 7.941 -10.283 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.007 8.664 -10.283 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.990 8.626 -12.819 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.263 10.041 -12.083 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.361 10.408 -12.429 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.084 9.430 -14.088 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.314 6.338 -13.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.242 7.206 -15.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.705 4.813 -15.620 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.946 5.253 -16.532 1.00 0.00 H new ATOM 1576 N GLY A 96 0.590 6.131 -11.680 1.00 0.00 N ATOM 1577 CA GLY A 96 0.488 4.705 -11.948 1.00 0.00 C ATOM 1578 C GLY A 96 -0.904 4.285 -12.395 1.00 0.00 C ATOM 1579 O GLY A 96 -1.239 4.372 -13.576 1.00 0.00 O ATOM 0 H GLY A 96 1.455 6.564 -12.003 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.209 4.433 -12.719 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.758 4.151 -11.049 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.709 3.831 -11.437 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.076 3.389 -11.705 1.00 0.00 C ATOM 1585 C LYS A 97 -3.704 2.802 -10.441 1.00 0.00 C ATOM 1586 O LYS A 97 -4.452 1.826 -10.504 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.100 2.344 -12.825 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.504 1.945 -13.254 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.662 0.435 -13.319 1.00 0.00 C ATOM 1590 CE LYS A 97 -6.084 0.038 -13.685 1.00 0.00 C ATOM 1591 NZ LYS A 97 -6.114 -1.113 -14.628 1.00 0.00 N ATOM 0 H LYS A 97 -1.434 3.759 -10.457 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.654 4.257 -12.022 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.563 2.736 -13.688 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.564 1.455 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.230 2.357 -12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.723 2.377 -14.231 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.969 0.027 -14.054 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.398 -0.001 -12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.633 -0.220 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.594 0.890 -14.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.101 -1.352 -14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.612 -0.858 -15.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.650 -1.934 -14.189 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.391 3.401 -9.295 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.921 2.935 -8.018 1.00 0.00 C ATOM 1607 C GLU A 98 -5.444 3.025 -8.001 1.00 0.00 C ATOM 1608 O GLU A 98 -6.120 2.122 -7.508 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.321 3.750 -6.869 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.740 5.211 -6.873 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.271 5.957 -5.640 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.852 5.293 -4.668 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.325 7.205 -5.645 1.00 0.00 O ATOM 0 H GLU A 98 -2.773 4.210 -9.225 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.642 1.889 -7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.617 3.299 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.234 3.693 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.338 5.698 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.826 5.273 -6.939 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.982 4.110 -8.555 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.423 4.274 -8.600 1.00 0.00 C ATOM 1622 C GLY A 99 -7.899 5.626 -8.099 1.00 0.00 C ATOM 1623 O GLY A 99 -8.438 6.422 -8.868 1.00 0.00 O ATOM 0 H GLY A 99 -5.448 4.873 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.764 4.136 -9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.888 3.490 -8.002 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.727 5.877 -6.805 1.00 0.00 N ATOM 1628 CA GLN A 100 -8.173 7.132 -6.205 1.00 0.00 C ATOM 1629 C GLN A 100 -7.022 8.096 -5.947 1.00 0.00 C ATOM 1630 O GLN A 100 -6.121 7.815 -5.158 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.918 6.851 -4.900 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.314 6.288 -5.110 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.679 5.236 -4.081 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -11.390 5.514 -3.117 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -10.191 4.018 -4.284 1.00 0.00 N ATOM 0 H GLN A 100 -7.283 5.231 -6.152 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.842 7.611 -6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.337 6.148 -4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.990 7.774 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.040 7.100 -5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.380 5.854 -6.108 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.605 3.833 -5.098 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.402 3.268 -3.626 1.00 0.00 H new ATOM 1644 N PRO A 101 -7.059 9.262 -6.610 1.00 0.00 N ATOM 1645 CA PRO A 101 -6.040 10.305 -6.456 1.00 0.00 C ATOM 1646 C PRO A 101 -5.791 10.660 -4.991 1.00 0.00 C ATOM 1647 O PRO A 101 -6.710 10.623 -4.174 1.00 0.00 O ATOM 1648 CB PRO A 101 -6.665 11.491 -7.186 1.00 0.00 C ATOM 1649 CG PRO A 101 -7.527 10.876 -8.222 1.00 0.00 C ATOM 1650 CD PRO A 101 -8.114 9.666 -7.564 1.00 0.00 C ATOM 0 HA PRO A 101 -5.069 9.998 -6.844 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.245 12.115 -6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.902 12.129 -7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.306 11.565 -8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.950 10.605 -9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.050 9.897 -7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.329 8.878 -8.286 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.548 11.003 -4.664 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.217 11.359 -3.293 1.00 0.00 C ATOM 1660 C GLY A 102 -3.372 12.617 -3.196 1.00 0.00 C ATOM 1661 O GLY A 102 -2.984 13.195 -4.210 1.00 0.00 O ATOM 0 H GLY A 102 -3.767 11.041 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.138 11.502 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.682 10.531 -2.827 1.00 0.00 H new ATOM 1665 N GLU A 103 -3.081 13.033 -1.964 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.270 14.225 -1.722 1.00 0.00 C ATOM 1667 C GLU A 103 -1.213 13.946 -0.654 1.00 0.00 C ATOM 1668 O GLU A 103 -1.438 13.147 0.254 1.00 0.00 O ATOM 1669 CB GLU A 103 -3.157 15.394 -1.288 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.743 16.726 -1.890 1.00 0.00 C ATOM 1671 CD GLU A 103 -2.860 17.872 -0.904 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -3.628 17.740 0.071 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -2.186 18.903 -1.109 1.00 0.00 O ATOM 0 H GLU A 103 -3.396 12.561 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.766 14.491 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.188 15.182 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.134 15.473 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.714 16.658 -2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.364 16.936 -2.761 1.00 0.00 H new ATOM 1680 N TRP A 104 -0.062 14.605 -0.772 1.00 0.00 N ATOM 1681 CA TRP A 104 1.032 14.414 0.189 1.00 0.00 C ATOM 1682 C TRP A 104 0.569 14.757 1.603 1.00 0.00 C ATOM 1683 O TRP A 104 0.379 15.928 1.936 1.00 0.00 O ATOM 1684 CB TRP A 104 2.269 15.265 -0.176 1.00 0.00 C ATOM 1685 CG TRP A 104 2.197 15.928 -1.522 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.094 15.311 -2.737 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.225 17.335 -1.788 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.054 16.248 -3.740 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.133 17.498 -3.184 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.316 18.473 -0.981 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.133 18.753 -3.788 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.315 19.718 -1.583 1.00 0.00 C ATOM 1693 CH2 TRP A 104 2.223 19.849 -2.975 1.00 0.00 C ATOM 0 H TRP A 104 0.140 15.272 -1.517 1.00 0.00 H new ATOM 0 HA TRP A 104 1.319 13.363 0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.403 16.033 0.586 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.153 14.628 -0.146 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.050 14.242 -2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 104 1.978 16.046 -4.737 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.386 18.381 0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 2.064 18.857 -4.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 2.386 20.604 -0.970 1.00 0.00 H new ATOM 0 HH2 TRP A 104 2.223 20.835 -3.415 1.00 0.00 H new ATOM 1704 N MET A 105 0.385 13.730 2.432 1.00 0.00 N ATOM 1705 CA MET A 105 -0.061 13.929 3.809 1.00 0.00 C ATOM 1706 C MET A 105 0.952 13.395 4.812 1.00 0.00 C ATOM 1707 O MET A 105 1.828 12.607 4.469 1.00 0.00 O ATOM 1708 CB MET A 105 -1.420 13.264 4.038 1.00 0.00 C ATOM 1709 CG MET A 105 -2.372 13.393 2.859 1.00 0.00 C ATOM 1710 SD MET A 105 -4.042 13.860 3.357 1.00 0.00 S ATOM 1711 CE MET A 105 -4.998 13.215 1.987 1.00 0.00 C ATOM 0 H MET A 105 0.538 12.755 2.174 1.00 0.00 H new ATOM 0 HA MET A 105 -0.157 15.003 3.965 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.265 12.207 4.254 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.886 13.705 4.919 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.984 14.137 2.164 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.409 12.445 2.323 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.024 13.577 2.057 1.00 0.00 H new ATOM 0 HE2 MET A 105 -4.559 13.550 1.047 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.994 12.126 2.022 1.00 0.00 H new ATOM 1721 N SER A 106 0.815 13.830 6.061 1.00 0.00 N ATOM 1722 CA SER A 106 1.711 13.397 7.126 1.00 0.00 C ATOM 1723 C SER A 106 1.261 12.056 7.697 1.00 0.00 C ATOM 1724 O SER A 106 0.127 11.912 8.152 1.00 0.00 O ATOM 1725 CB SER A 106 1.762 14.446 8.238 1.00 0.00 C ATOM 1726 OG SER A 106 0.556 15.188 8.296 1.00 0.00 O ATOM 0 H SER A 106 0.091 14.483 6.360 1.00 0.00 H new ATOM 0 HA SER A 106 2.709 13.279 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.938 13.957 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.600 15.121 8.067 1.00 0.00 H new ATOM 0 HG SER A 106 0.614 15.850 9.016 1.00 0.00 H new ATOM 1732 N LEU A 107 2.157 11.077 7.664 1.00 0.00 N ATOM 1733 CA LEU A 107 1.850 9.742 8.175 1.00 0.00 C ATOM 1734 C LEU A 107 1.931 9.689 9.700 1.00 0.00 C ATOM 1735 O LEU A 107 1.402 8.771 10.325 1.00 0.00 O ATOM 1736 CB LEU A 107 2.798 8.708 7.569 1.00 0.00 C ATOM 1737 CG LEU A 107 2.245 7.282 7.518 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.028 7.213 6.609 1.00 0.00 C ATOM 1739 CD2 LEU A 107 3.320 6.313 7.052 1.00 0.00 C ATOM 0 H LEU A 107 3.100 11.180 7.290 1.00 0.00 H new ATOM 0 HA LEU A 107 0.826 9.508 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.054 9.020 6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.724 8.703 8.144 1.00 0.00 H new ATOM 0 HG LEU A 107 1.936 6.995 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.649 6.191 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.253 7.879 6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.309 7.519 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.911 5.303 7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.659 6.598 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.161 6.343 7.744 1.00 0.00 H new ATOM 1751 N VAL A 108 2.602 10.673 10.293 1.00 0.00 N ATOM 1752 CA VAL A 108 2.763 10.736 11.744 1.00 0.00 C ATOM 1753 C VAL A 108 1.431 10.560 12.477 1.00 0.00 C ATOM 1754 O VAL A 108 1.408 10.204 13.654 1.00 0.00 O ATOM 1755 CB VAL A 108 3.403 12.071 12.175 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.508 13.242 11.799 1.00 0.00 C ATOM 1757 CG2 VAL A 108 3.694 12.070 13.669 1.00 0.00 C ATOM 0 H VAL A 108 3.045 11.441 9.789 1.00 0.00 H new ATOM 0 HA VAL A 108 3.422 9.912 12.017 1.00 0.00 H new ATOM 0 HB VAL A 108 4.349 12.183 11.645 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.978 14.174 12.112 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.360 13.255 10.719 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.544 13.137 12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.145 13.021 13.952 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.764 11.931 14.221 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.381 11.258 13.905 1.00 0.00 H new ATOM 1767 N GLY A 109 0.327 10.814 11.780 1.00 0.00 N ATOM 1768 CA GLY A 109 -0.981 10.675 12.396 1.00 0.00 C ATOM 1769 C GLY A 109 -2.010 10.084 11.453 1.00 0.00 C ATOM 1770 O GLY A 109 -3.082 10.656 11.252 1.00 0.00 O ATOM 0 H GLY A 109 0.314 11.112 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.897 10.042 13.279 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.324 11.652 12.736 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.681 8.935 10.877 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.579 8.252 9.949 1.00 0.00 C ATOM 1776 C LEU A 110 -3.873 7.843 10.647 1.00 0.00 C ATOM 1777 O LEU A 110 -3.886 7.592 11.852 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.891 7.019 9.365 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.717 6.239 8.343 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -1.808 5.610 7.300 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.551 5.171 9.035 1.00 0.00 C ATOM 0 H LEU A 110 -0.796 8.453 11.036 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.826 8.942 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.959 7.331 8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.626 6.349 10.183 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.393 6.932 7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.410 5.058 6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.250 6.392 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.111 4.929 7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.133 4.625 8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.893 4.479 9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.226 5.643 9.749 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.965 7.788 9.886 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.264 7.423 10.442 1.00 0.00 C ATOM 1795 C ASN A 111 -6.792 6.115 9.857 1.00 0.00 C ATOM 1796 O ASN A 111 -7.188 6.058 8.693 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.270 8.550 10.195 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.742 9.199 11.481 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.146 9.008 12.541 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -8.818 9.971 11.394 1.00 0.00 N ATOM 0 H ASN A 111 -4.975 7.991 8.886 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.133 7.273 11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.814 9.306 9.556 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.130 8.153 9.655 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -9.182 10.434 12.227 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.281 10.101 10.494 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.818 5.069 10.685 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.325 3.770 10.256 1.00 0.00 C ATOM 1809 C ALA A 112 -8.846 3.805 10.111 1.00 0.00 C ATOM 1810 O ALA A 112 -9.444 2.924 9.497 1.00 0.00 O ATOM 1811 CB ALA A 112 -6.920 2.677 11.238 1.00 0.00 C ATOM 0 H ALA A 112 -6.495 5.098 11.652 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.885 3.544 9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.310 1.718 10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.833 2.626 11.298 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.327 2.904 12.223 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.472 4.829 10.688 1.00 0.00 N ATOM 1818 CA ASP A 113 -10.920 4.977 10.617 1.00 0.00 C ATOM 1819 C ASP A 113 -11.334 5.538 9.259 1.00 0.00 C ATOM 1820 O ASP A 113 -12.376 5.170 8.716 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.450 5.881 11.743 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.358 6.587 12.529 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.401 7.084 11.901 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.464 6.644 13.772 1.00 0.00 O ATOM 0 H ASP A 113 -8.998 5.567 11.209 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.358 3.987 10.743 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.116 6.629 11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.047 5.279 12.428 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.509 6.431 8.719 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.788 7.045 7.426 1.00 0.00 C ATOM 1831 C ASP A 114 -10.296 6.170 6.274 1.00 0.00 C ATOM 1832 O ASP A 114 -10.597 6.441 5.112 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.137 8.424 7.342 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.157 9.546 7.330 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.662 9.878 6.237 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -11.451 10.091 8.415 1.00 0.00 O ATOM 0 H ASP A 114 -9.643 6.745 9.157 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.869 7.149 7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.464 8.557 8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.528 8.481 6.440 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.534 5.128 6.594 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.010 4.236 5.569 1.00 0.00 C ATOM 1843 C PHE A 115 -9.757 2.900 5.575 1.00 0.00 C ATOM 1844 O PHE A 115 -10.442 2.568 6.542 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.487 4.069 5.749 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.013 2.802 6.408 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.714 2.229 7.451 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.834 2.203 5.991 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.253 1.081 8.064 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.366 1.061 6.601 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.075 0.498 7.637 1.00 0.00 C ATOM 0 H PHE A 115 -9.268 4.883 7.548 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.176 4.676 4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.020 4.135 4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.120 4.913 6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.633 2.684 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.275 2.639 5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.812 0.639 8.876 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.444 0.608 6.267 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.711 -0.399 8.116 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.654 2.125 4.482 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.343 0.836 4.363 1.00 0.00 C ATOM 1863 C PRO A 116 -10.026 -0.105 5.524 1.00 0.00 C ATOM 1864 O PRO A 116 -8.860 -0.327 5.853 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.821 0.255 3.040 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.638 1.091 2.675 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.883 2.443 3.274 1.00 0.00 C ATOM 0 HA PRO A 116 -11.426 0.959 4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.541 -0.792 3.155 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.586 0.297 2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.718 0.654 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.528 1.159 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.951 2.956 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.440 3.091 2.597 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.066 -0.674 6.163 1.00 0.00 N ATOM 1876 CA PRO A 117 -10.894 -1.595 7.291 1.00 0.00 C ATOM 1877 C PRO A 117 -10.179 -2.881 6.890 1.00 0.00 C ATOM 1878 O PRO A 117 -9.717 -3.636 7.745 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.329 -1.900 7.737 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.171 -1.601 6.547 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.490 -0.467 5.836 1.00 0.00 C ATOM 0 HA PRO A 117 -10.276 -1.157 8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.435 -2.940 8.044 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.617 -1.285 8.590 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.256 -2.474 5.899 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.183 -1.325 6.844 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.666 -0.502 4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.847 0.501 6.186 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.091 -3.128 5.586 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.432 -4.325 5.083 1.00 0.00 C ATOM 1891 C ALA A 118 -7.961 -4.338 5.464 1.00 0.00 C ATOM 1892 O ALA A 118 -7.353 -5.399 5.598 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.593 -4.424 3.574 1.00 0.00 C ATOM 0 H ALA A 118 -10.467 -2.516 4.862 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.907 -5.192 5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.095 -5.324 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.653 -4.471 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.147 -3.549 3.102 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.394 -3.154 5.638 1.00 0.00 N ATOM 1900 CA ASN A 119 -5.994 -3.023 6.003 1.00 0.00 C ATOM 1901 C ASN A 119 -5.842 -2.576 7.457 1.00 0.00 C ATOM 1902 O ASN A 119 -4.726 -2.397 7.946 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.322 -2.022 5.069 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.219 -2.650 4.241 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.589 -3.621 4.660 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -3.980 -2.097 3.058 1.00 0.00 N ATOM 0 H ASN A 119 -7.886 -2.267 5.531 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.514 -3.996 5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.071 -1.591 4.404 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.909 -1.202 5.657 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.249 -2.476 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -4.527 -1.293 2.751 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.970 -2.396 8.146 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.963 -1.970 9.543 1.00 0.00 C ATOM 1915 C GLU A 120 -6.095 -2.882 10.412 1.00 0.00 C ATOM 1916 O GLU A 120 -5.399 -2.407 11.297 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.389 -1.925 10.097 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.740 -0.608 10.771 1.00 0.00 C ATOM 1919 CD GLU A 120 -9.593 -0.799 12.009 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -10.822 -0.964 11.864 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -9.032 -0.782 13.126 1.00 0.00 O ATOM 0 H GLU A 120 -7.902 -2.540 7.756 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.533 -0.969 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.092 -2.105 9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.517 -2.736 10.814 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.822 -0.087 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.270 0.029 10.063 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.131 -4.207 10.194 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.346 -5.154 10.992 1.00 0.00 C ATOM 1930 C PRO A 121 -3.899 -4.723 11.235 1.00 0.00 C ATOM 1931 O PRO A 121 -3.391 -4.847 12.349 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.362 -6.406 10.128 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.680 -6.358 9.441 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.951 -4.902 9.176 1.00 0.00 C ATOM 0 HA PRO A 121 -5.766 -5.264 11.992 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.540 -6.407 9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.260 -7.308 10.732 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.658 -6.927 8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.461 -6.794 10.063 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.661 -4.617 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.009 -4.665 9.283 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.233 -4.231 10.195 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.841 -3.802 10.317 1.00 0.00 C ATOM 1944 C VAL A 122 -1.734 -2.421 10.953 1.00 0.00 C ATOM 1945 O VAL A 122 -1.024 -2.230 11.941 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.128 -3.763 8.944 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.291 -4.297 9.063 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.904 -4.533 7.882 1.00 0.00 C ATOM 0 H VAL A 122 -3.631 -4.119 9.262 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.354 -4.539 10.956 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.084 -2.721 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.776 -4.262 8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.852 -3.685 9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.263 -5.327 9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.371 -4.482 6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.002 -5.575 8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.895 -4.094 7.766 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.440 -1.461 10.366 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.440 -0.085 10.842 1.00 0.00 C ATOM 1960 C ILE A 123 -3.048 0.020 12.232 1.00 0.00 C ATOM 1961 O ILE A 123 -2.709 0.902 13.001 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.210 0.830 9.868 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.453 0.939 8.539 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.430 2.205 10.479 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.745 2.264 8.344 1.00 0.00 C ATOM 0 H ILE A 123 -3.028 -1.616 9.547 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.401 0.242 10.893 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.188 0.389 9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.720 0.134 8.482 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.155 0.789 7.719 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.975 2.833 9.774 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.007 2.106 11.399 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.466 2.662 10.703 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.233 2.265 7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.475 3.073 8.367 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.017 2.409 9.143 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.939 -0.900 12.540 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.590 -0.919 13.842 1.00 0.00 C ATOM 1979 C ALA A 124 -3.531 -0.924 14.938 1.00 0.00 C ATOM 1980 O ALA A 124 -3.595 -0.148 15.892 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.503 -2.129 13.973 1.00 0.00 C ATOM 0 H ALA A 124 -4.232 -1.646 11.909 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.206 -0.026 13.943 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.978 -2.122 14.954 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.269 -2.092 13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.917 -3.041 13.861 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.576 -1.835 14.802 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.515 -1.984 15.790 1.00 0.00 C ATOM 1989 C LYS A 125 -0.788 -0.666 16.031 1.00 0.00 C ATOM 1990 O LYS A 125 -0.613 -0.248 17.176 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.516 -3.055 15.340 1.00 0.00 C ATOM 1992 CG LYS A 125 0.631 -3.267 16.315 1.00 0.00 C ATOM 1993 CD LYS A 125 1.867 -2.483 15.901 1.00 0.00 C ATOM 1994 CE LYS A 125 2.507 -1.780 17.088 1.00 0.00 C ATOM 1995 NZ LYS A 125 3.980 -1.642 16.923 1.00 0.00 N ATOM 0 H LYS A 125 -2.514 -2.483 14.016 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.977 -2.293 16.728 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.045 -3.998 15.204 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.109 -2.775 14.369 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.322 -2.960 17.314 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.873 -4.328 16.368 1.00 0.00 H new ATOM 0 HD2 LYS A 125 2.590 -3.158 15.444 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.595 -1.747 15.144 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.061 -0.793 17.209 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.295 -2.339 17.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.378 -1.158 17.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.409 -2.585 16.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 4.183 -1.086 16.068 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.363 -0.016 14.959 1.00 0.00 N ATOM 2010 CA LEU A 126 0.353 1.256 15.071 1.00 0.00 C ATOM 2011 C LEU A 126 -0.611 2.411 15.334 1.00 0.00 C ATOM 2012 O LEU A 126 -0.397 3.225 16.230 1.00 0.00 O ATOM 2013 CB LEU A 126 1.154 1.527 13.797 1.00 0.00 C ATOM 2014 CG LEU A 126 2.441 2.329 14.001 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.589 1.407 14.379 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.780 3.119 12.745 1.00 0.00 C ATOM 0 H LEU A 126 -0.498 -0.343 14.002 1.00 0.00 H new ATOM 0 HA LEU A 126 1.037 1.182 15.917 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.408 0.573 13.335 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.518 2.063 13.093 1.00 0.00 H new ATOM 0 HG LEU A 126 2.284 3.033 14.818 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.496 1.995 14.520 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.347 0.885 15.305 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.748 0.679 13.583 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.698 3.684 12.907 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.919 2.433 11.910 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.966 3.807 12.517 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.655 2.481 14.519 1.00 0.00 N ATOM 2029 CA LYS A 127 -2.660 3.537 14.618 1.00 0.00 C ATOM 2030 C LYS A 127 -3.179 3.667 16.037 1.00 0.00 C ATOM 2031 O LYS A 127 -3.396 4.772 16.534 1.00 0.00 O ATOM 2032 CB LYS A 127 -3.826 3.237 13.690 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.034 4.137 13.904 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.270 3.339 14.283 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.537 4.164 14.126 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.516 5.384 14.981 1.00 0.00 N ATOM 0 H LYS A 127 -1.831 1.810 13.771 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.186 4.475 14.329 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.490 3.336 12.658 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.130 2.199 13.828 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -4.814 4.861 14.688 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.232 4.703 12.994 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -6.335 2.448 13.658 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.182 2.999 15.315 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.654 4.455 13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.402 3.554 14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.447 5.846 14.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.295 5.117 15.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -6.791 6.042 14.630 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.353 2.532 16.693 1.00 0.00 N ATOM 2051 CA ARG A 128 -3.821 2.523 18.066 1.00 0.00 C ATOM 2052 C ARG A 128 -2.788 3.203 18.963 1.00 0.00 C ATOM 2053 O ARG A 128 -3.047 3.470 20.136 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.074 1.085 18.526 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.283 0.942 20.026 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.531 -0.505 20.422 1.00 0.00 C ATOM 2057 NE ARG A 128 -3.705 -0.910 21.557 1.00 0.00 N ATOM 2058 CZ ARG A 128 -3.970 -1.960 22.331 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -5.036 -2.715 22.097 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -3.165 -2.257 23.343 1.00 0.00 N ATOM 0 H ARG A 128 -3.178 1.608 16.297 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.760 3.073 18.132 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.952 0.698 18.009 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.229 0.465 18.227 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.407 1.319 20.553 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.130 1.555 20.336 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -5.583 -0.637 20.674 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.323 -1.155 19.572 1.00 0.00 H new ATOM 0 HE ARG A 128 -2.876 -0.355 21.769 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -5.658 -2.492 21.320 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -5.233 -3.518 22.694 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.344 -1.681 23.527 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.367 -3.061 23.937 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.616 3.489 18.388 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.535 4.148 19.117 1.00 0.00 C ATOM 2076 C LEU A 129 -0.345 3.538 20.504 1.00 0.00 C ATOM 2077 O LEU A 129 0.058 4.221 21.445 1.00 0.00 O ATOM 2078 CB LEU A 129 -0.816 5.647 19.237 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.368 6.310 17.969 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -2.779 6.828 18.206 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.457 7.441 17.510 1.00 0.00 C ATOM 0 H LEU A 129 -1.394 3.272 17.416 1.00 0.00 H new ATOM 0 HA LEU A 129 0.387 3.999 18.555 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.526 5.804 20.049 1.00 0.00 H new ATOM 0 HB3 LEU A 129 0.107 6.152 19.520 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.404 5.557 17.181 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.153 7.295 17.295 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.430 5.998 18.482 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.766 7.563 19.011 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.868 7.897 16.609 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.385 8.192 18.296 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.535 7.045 17.295 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -2.559 -2.974 -9.579 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -9.911 -6.773 -7.825 1.00 20.00 O HETATM 2096 P 8OG A 131 -9.752 -7.506 -6.401 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -8.477 -8.257 -6.395 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -11.012 -8.227 -6.108 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -9.624 -6.261 -5.390 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -9.199 -6.475 -4.041 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -10.161 -7.409 -3.304 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -10.360 -8.740 -3.797 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -9.730 -7.654 -1.856 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -10.683 -7.131 -0.929 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -9.550 -9.166 -1.689 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -9.875 -9.846 -3.023 1.00 20.00 C HETATM 2107 N9 8OG A 131 -8.919 -10.875 -3.489 1.00 20.00 N HETATM 2108 C8 8OG A 131 -7.583 -10.601 -3.618 1.00 20.00 C HETATM 2109 N7 8OG A 131 -7.035 -11.774 -4.061 1.00 20.00 N HETATM 2110 C5 8OG A 131 -7.987 -12.748 -4.205 1.00 20.00 C HETATM 2111 C6 8OG A 131 -7.983 -14.042 -4.597 1.00 20.00 C HETATM 2112 O6 8OG A 131 -6.869 -14.573 -4.935 1.00 20.00 O HETATM 2113 N1 8OG A 131 -9.133 -14.821 -4.648 1.00 20.00 N HETATM 2114 C2 8OG A 131 -10.314 -14.232 -4.281 1.00 20.00 C HETATM 2115 N2 8OG A 131 -11.421 -14.987 -4.333 1.00 20.00 N HETATM 2116 N3 8OG A 131 -10.426 -12.903 -3.862 1.00 20.00 N HETATM 2117 C4 8OG A 131 -9.197 -12.191 -3.842 1.00 20.00 C HETATM 2118 O8 8OG A 131 -6.984 -9.495 -3.379 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -10.379 -7.305 -0.014 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -8.196 -6.902 -4.035 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -8.528 -9.394 -1.387 1.00 20.00 H new HETATM 0 H7 8OG A 131 -6.043 -11.906 -4.259 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -9.142 -5.520 -3.518 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -11.079 -6.840 -3.447 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -8.795 -7.135 -1.644 1.00 20.00 H new HETATM 0 H22 8OG A 131 -12.322 -14.589 -4.069 1.00 20.00 H new HETATM 0 H21 8OG A 131 -11.362 -15.959 -4.637 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -10.206 -9.541 -0.903 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -10.646 -10.616 -3.047 1.00 20.00 H new HETATM 0 H1 8OG A 131 -9.099 -15.795 -4.948 1.00 20.00 H new HETATM 2131 O HOH A5071 -4.217 -1.994 -8.718 1.00 0.00 O HETATM 2132 O HOH A5072 -3.849 -3.948 -10.935 1.00 0.00 O