USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 GLN : amide:sc= 0.0199 X(o=-0.82,f=-0.86) USER MOD Set 1.2: A 26 GLN : amide:sc= -0.841 X(o=-0.82,f=-0.97) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.148 (180deg=-0.0163) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 16 SER OG : rot 180:sc= -0.237 USER MOD Single : A 17 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.267 X(o=0.27,f=-0.14) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 32 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.13) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.6) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0729 X(o=-0.073,f=-0.46) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 138:sc= -1.8 (180deg=-4.49!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.666! C(o=0.67!,f=-12!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 63 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 160:sc= -1.05 USER MOD Single : A 72 SER OG : rot -79:sc= 1.13 USER MOD Single : A 77 GLN : amide:sc= -0.561 K(o=-0.56,f=-6.9!) USER MOD Single : A 78 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0.00035) USER MOD Single : A 83 MET CE :methyl -117:sc= -0.632 (180deg=-1.36) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= -0.0873 (180deg=-0.55) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.14) USER MOD Single : A 112 HIS : no HE2:sc= -1.73! C(o=-1.7!,f=-3.2!) USER MOD Single : A 113 CYS SG : rot 43:sc= 1.24 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.071 -13.662 15.994 1.00 5.41 N ATOM 2 CA MET A 1 -4.328 -14.185 16.578 1.00 43.12 C ATOM 3 C MET A 1 -5.457 -13.181 16.378 1.00 4.30 C ATOM 4 O MET A 1 -5.224 -12.068 15.912 1.00 61.10 O ATOM 5 CB MET A 1 -4.154 -14.484 18.071 1.00 54.34 C ATOM 6 CG MET A 1 -3.219 -15.647 18.356 1.00 22.34 C ATOM 7 SD MET A 1 -3.098 -16.031 20.114 1.00 64.24 S ATOM 8 CE MET A 1 -1.959 -17.413 20.079 1.00 42.14 C ATOM 0 H1 MET A 1 -2.735 -14.312 15.254 1.00 5.41 H new ATOM 0 H2 MET A 1 -3.245 -12.725 15.579 1.00 5.41 H new ATOM 0 H3 MET A 1 -2.349 -13.582 16.738 1.00 5.41 H new ATOM 0 HA MET A 1 -4.580 -15.114 16.067 1.00 43.12 H new ATOM 0 HB2 MET A 1 -3.773 -13.592 18.569 1.00 54.34 H new ATOM 0 HB3 MET A 1 -5.130 -14.699 18.506 1.00 54.34 H new ATOM 0 HG2 MET A 1 -3.569 -16.529 17.819 1.00 22.34 H new ATOM 0 HG3 MET A 1 -2.227 -15.412 17.971 1.00 22.34 H new ATOM 0 HE1 MET A 1 -1.782 -17.765 21.095 1.00 42.14 H new ATOM 0 HE2 MET A 1 -2.385 -18.221 19.484 1.00 42.14 H new ATOM 0 HE3 MET A 1 -1.015 -17.095 19.636 1.00 42.14 H new ATOM 20 N VAL A 2 -6.673 -13.582 16.736 1.00 34.41 N ATOM 21 CA VAL A 2 -7.853 -12.738 16.547 1.00 1.33 C ATOM 22 C VAL A 2 -7.847 -11.517 17.466 1.00 43.24 C ATOM 23 O VAL A 2 -8.578 -10.555 17.234 1.00 0.21 O ATOM 24 CB VAL A 2 -9.161 -13.530 16.768 1.00 42.13 C ATOM 25 CG1 VAL A 2 -9.325 -14.599 15.700 1.00 53.21 C ATOM 26 CG2 VAL A 2 -9.194 -14.147 18.160 1.00 74.25 C ATOM 0 H VAL A 2 -6.870 -14.489 17.160 1.00 34.41 H new ATOM 0 HA VAL A 2 -7.810 -12.394 15.513 1.00 1.33 H new ATOM 0 HB VAL A 2 -9.997 -12.835 16.688 1.00 42.13 H new ATOM 0 HG11 VAL A 2 -10.252 -15.146 15.872 1.00 53.21 H new ATOM 0 HG12 VAL A 2 -9.358 -14.129 14.717 1.00 53.21 H new ATOM 0 HG13 VAL A 2 -8.483 -15.289 15.744 1.00 53.21 H new ATOM 0 HG21 VAL A 2 -10.125 -14.699 18.291 1.00 74.25 H new ATOM 0 HG22 VAL A 2 -8.349 -14.826 18.277 1.00 74.25 H new ATOM 0 HG23 VAL A 2 -9.132 -13.358 18.909 1.00 74.25 H new ATOM 36 N LYS A 3 -7.032 -11.552 18.510 1.00 74.34 N ATOM 37 CA LYS A 3 -6.937 -10.422 19.421 1.00 73.13 C ATOM 38 C LYS A 3 -5.590 -9.727 19.263 1.00 41.22 C ATOM 39 O LYS A 3 -4.532 -10.336 19.449 1.00 12.02 O ATOM 40 CB LYS A 3 -7.162 -10.868 20.871 1.00 54.05 C ATOM 41 CG LYS A 3 -7.158 -9.714 21.865 1.00 75.53 C ATOM 42 CD LYS A 3 -7.829 -10.098 23.176 1.00 41.44 C ATOM 43 CE LYS A 3 -9.292 -10.465 22.966 1.00 3.31 C ATOM 44 NZ LYS A 3 -10.031 -10.604 24.249 1.00 12.12 N ATOM 0 H LYS A 3 -6.432 -12.343 18.746 1.00 74.34 H new ATOM 0 HA LYS A 3 -7.721 -9.708 19.169 1.00 73.13 H new ATOM 0 HB2 LYS A 3 -8.115 -11.393 20.938 1.00 54.05 H new ATOM 0 HB3 LYS A 3 -6.385 -11.580 21.149 1.00 54.05 H new ATOM 0 HG2 LYS A 3 -6.131 -9.404 22.059 1.00 75.53 H new ATOM 0 HG3 LYS A 3 -7.673 -8.857 21.430 1.00 75.53 H new ATOM 0 HD2 LYS A 3 -7.302 -10.941 23.623 1.00 41.44 H new ATOM 0 HD3 LYS A 3 -7.758 -9.268 23.879 1.00 41.44 H new ATOM 0 HE2 LYS A 3 -9.771 -9.701 22.355 1.00 3.31 H new ATOM 0 HE3 LYS A 3 -9.353 -11.401 22.411 1.00 3.31 H new ATOM 0 HZ1 LYS A 3 -11.021 -10.854 24.054 1.00 12.12 H new ATOM 0 HZ2 LYS A 3 -9.592 -11.352 24.823 1.00 12.12 H new ATOM 0 HZ3 LYS A 3 -9.997 -9.704 24.768 1.00 12.12 H new ATOM 58 N LEU A 4 -5.645 -8.452 18.898 1.00 60.31 N ATOM 59 CA LEU A 4 -4.450 -7.658 18.654 1.00 0.44 C ATOM 60 C LEU A 4 -3.888 -7.138 19.974 1.00 42.51 C ATOM 61 O LEU A 4 -4.566 -6.420 20.708 1.00 3.31 O ATOM 62 CB LEU A 4 -4.801 -6.490 17.716 1.00 4.21 C ATOM 63 CG LEU A 4 -3.636 -5.863 16.932 1.00 62.44 C ATOM 64 CD1 LEU A 4 -4.170 -4.941 15.849 1.00 65.31 C ATOM 65 CD2 LEU A 4 -2.700 -5.087 17.846 1.00 22.20 C ATOM 0 H LEU A 4 -6.518 -7.941 18.763 1.00 60.31 H new ATOM 0 HA LEU A 4 -3.688 -8.278 18.181 1.00 0.44 H new ATOM 0 HB2 LEU A 4 -5.545 -6.840 17.000 1.00 4.21 H new ATOM 0 HB3 LEU A 4 -5.273 -5.707 18.309 1.00 4.21 H new ATOM 0 HG LEU A 4 -3.070 -6.676 16.476 1.00 62.44 H new ATOM 0 HD11 LEU A 4 -3.336 -4.503 15.301 1.00 65.31 H new ATOM 0 HD12 LEU A 4 -4.797 -5.511 15.163 1.00 65.31 H new ATOM 0 HD13 LEU A 4 -4.761 -4.147 16.306 1.00 65.31 H new ATOM 0 HD21 LEU A 4 -1.889 -4.658 17.257 1.00 22.20 H new ATOM 0 HD22 LEU A 4 -3.253 -4.287 18.339 1.00 22.20 H new ATOM 0 HD23 LEU A 4 -2.286 -5.759 18.598 1.00 22.20 H new ATOM 77 N ALA A 5 -2.653 -7.511 20.272 1.00 30.25 N ATOM 78 CA ALA A 5 -1.993 -7.047 21.480 1.00 22.24 C ATOM 79 C ALA A 5 -1.281 -5.726 21.217 1.00 25.44 C ATOM 80 O ALA A 5 -0.213 -5.694 20.604 1.00 12.14 O ATOM 81 CB ALA A 5 -1.017 -8.095 21.991 1.00 55.33 C ATOM 0 H ALA A 5 -2.089 -8.133 19.694 1.00 30.25 H new ATOM 0 HA ALA A 5 -2.747 -6.884 22.250 1.00 22.24 H new ATOM 0 HB1 ALA A 5 -0.532 -7.730 22.896 1.00 55.33 H new ATOM 0 HB2 ALA A 5 -1.556 -9.016 22.214 1.00 55.33 H new ATOM 0 HB3 ALA A 5 -0.262 -8.292 21.229 1.00 55.33 H new ATOM 87 N PHE A 6 -1.895 -4.638 21.655 1.00 73.02 N ATOM 88 CA PHE A 6 -1.348 -3.310 21.436 1.00 11.21 C ATOM 89 C PHE A 6 -0.573 -2.836 22.663 1.00 73.25 C ATOM 90 O PHE A 6 -0.906 -3.193 23.793 1.00 65.21 O ATOM 91 CB PHE A 6 -2.471 -2.316 21.091 1.00 40.22 C ATOM 92 CG PHE A 6 -3.504 -2.143 22.176 1.00 24.11 C ATOM 93 CD1 PHE A 6 -4.547 -3.050 22.315 1.00 2.05 C ATOM 94 CD2 PHE A 6 -3.437 -1.068 23.048 1.00 70.30 C ATOM 95 CE1 PHE A 6 -5.496 -2.888 23.308 1.00 11.15 C ATOM 96 CE2 PHE A 6 -4.381 -0.903 24.042 1.00 35.02 C ATOM 97 CZ PHE A 6 -5.415 -1.812 24.170 1.00 14.41 C ATOM 0 H PHE A 6 -2.777 -4.650 22.167 1.00 73.02 H new ATOM 0 HA PHE A 6 -0.658 -3.359 20.594 1.00 11.21 H new ATOM 0 HB2 PHE A 6 -2.026 -1.345 20.872 1.00 40.22 H new ATOM 0 HB3 PHE A 6 -2.970 -2.651 20.181 1.00 40.22 H new ATOM 0 HD1 PHE A 6 -4.618 -3.891 21.641 1.00 2.05 H new ATOM 0 HD2 PHE A 6 -2.636 -0.350 22.949 1.00 70.30 H new ATOM 0 HE1 PHE A 6 -6.300 -3.602 23.409 1.00 11.15 H new ATOM 0 HE2 PHE A 6 -4.312 -0.064 24.719 1.00 35.02 H new ATOM 0 HZ PHE A 6 -6.158 -1.681 24.943 1.00 14.41 H new ATOM 107 N PRO A 7 0.495 -2.053 22.450 1.00 32.03 N ATOM 108 CA PRO A 7 1.272 -1.469 23.544 1.00 52.14 C ATOM 109 C PRO A 7 0.507 -0.346 24.242 1.00 43.12 C ATOM 110 O PRO A 7 -0.456 0.191 23.695 1.00 75.35 O ATOM 111 CB PRO A 7 2.515 -0.923 22.840 1.00 75.54 C ATOM 112 CG PRO A 7 2.067 -0.640 21.448 1.00 65.22 C ATOM 113 CD PRO A 7 1.035 -1.687 21.128 1.00 54.33 C ATOM 0 HA PRO A 7 1.500 -2.192 24.327 1.00 52.14 H new ATOM 0 HB2 PRO A 7 2.883 -0.021 23.329 1.00 75.54 H new ATOM 0 HB3 PRO A 7 3.329 -1.648 22.854 1.00 75.54 H new ATOM 0 HG2 PRO A 7 1.645 0.362 21.369 1.00 65.22 H new ATOM 0 HG3 PRO A 7 2.903 -0.689 20.751 1.00 65.22 H new ATOM 0 HD2 PRO A 7 0.258 -1.297 20.471 1.00 54.33 H new ATOM 0 HD3 PRO A 7 1.478 -2.546 20.623 1.00 54.33 H new ATOM 121 N ARG A 8 0.960 0.033 25.432 1.00 40.14 N ATOM 122 CA ARG A 8 0.260 1.037 26.232 1.00 62.13 C ATOM 123 C ARG A 8 0.384 2.425 25.611 1.00 53.13 C ATOM 124 O ARG A 8 -0.345 3.350 25.973 1.00 60.32 O ATOM 125 CB ARG A 8 0.779 1.036 27.683 1.00 5.21 C ATOM 126 CG ARG A 8 2.273 1.331 27.843 1.00 11.11 C ATOM 127 CD ARG A 8 2.579 2.824 27.780 1.00 70.12 C ATOM 128 NE ARG A 8 1.789 3.578 28.746 1.00 25.42 N ATOM 129 CZ ARG A 8 1.636 4.902 28.733 1.00 41.50 C ATOM 130 NH1 ARG A 8 2.248 5.651 27.825 1.00 42.00 N ATOM 131 NH2 ARG A 8 0.870 5.480 29.641 1.00 54.01 N ATOM 0 H ARG A 8 1.806 -0.337 25.865 1.00 40.14 H new ATOM 0 HA ARG A 8 -0.798 0.775 26.247 1.00 62.13 H new ATOM 0 HB2 ARG A 8 0.216 1.775 28.253 1.00 5.21 H new ATOM 0 HB3 ARG A 8 0.568 0.063 28.126 1.00 5.21 H new ATOM 0 HG2 ARG A 8 2.620 0.931 28.796 1.00 11.11 H new ATOM 0 HG3 ARG A 8 2.829 0.815 27.060 1.00 11.11 H new ATOM 0 HD2 ARG A 8 3.640 2.986 27.972 1.00 70.12 H new ATOM 0 HD3 ARG A 8 2.376 3.195 26.775 1.00 70.12 H new ATOM 0 HE ARG A 8 1.320 3.055 29.485 1.00 25.42 H new ATOM 0 HH11 ARG A 8 2.846 5.215 27.123 1.00 42.00 H new ATOM 0 HH12 ARG A 8 2.120 6.663 27.829 1.00 42.00 H new ATOM 0 HH21 ARG A 8 0.400 4.913 30.347 1.00 54.01 H new ATOM 0 HH22 ARG A 8 0.749 6.493 29.636 1.00 54.01 H new ATOM 145 N GLU A 9 1.320 2.562 24.683 1.00 42.12 N ATOM 146 CA GLU A 9 1.549 3.825 24.006 1.00 5.14 C ATOM 147 C GLU A 9 0.553 3.997 22.862 1.00 0.52 C ATOM 148 O GLU A 9 0.340 5.105 22.367 1.00 45.25 O ATOM 149 CB GLU A 9 2.986 3.882 23.481 1.00 21.12 C ATOM 150 CG GLU A 9 3.577 5.282 23.487 1.00 32.03 C ATOM 151 CD GLU A 9 3.478 5.930 24.854 1.00 52.11 C ATOM 152 OE1 GLU A 9 4.096 5.414 25.809 1.00 0.14 O ATOM 153 OE2 GLU A 9 2.756 6.941 24.984 1.00 1.44 O ATOM 0 H GLU A 9 1.936 1.807 24.382 1.00 42.12 H new ATOM 0 HA GLU A 9 1.404 4.641 24.714 1.00 5.14 H new ATOM 0 HB2 GLU A 9 3.613 3.229 24.088 1.00 21.12 H new ATOM 0 HB3 GLU A 9 3.009 3.491 22.464 1.00 21.12 H new ATOM 0 HG2 GLU A 9 4.622 5.236 23.181 1.00 32.03 H new ATOM 0 HG3 GLU A 9 3.057 5.899 22.754 1.00 32.03 H new ATOM 160 N LEU A 10 -0.070 2.896 22.463 1.00 22.23 N ATOM 161 CA LEU A 10 -1.036 2.914 21.376 1.00 43.01 C ATOM 162 C LEU A 10 -2.402 3.313 21.922 1.00 24.10 C ATOM 163 O LEU A 10 -3.026 2.566 22.672 1.00 21.44 O ATOM 164 CB LEU A 10 -1.097 1.535 20.695 1.00 12.52 C ATOM 165 CG LEU A 10 -1.727 1.491 19.291 1.00 21.45 C ATOM 166 CD1 LEU A 10 -3.237 1.686 19.343 1.00 21.32 C ATOM 167 CD2 LEU A 10 -1.090 2.535 18.385 1.00 3.03 C ATOM 0 H LEU A 10 0.078 1.976 22.879 1.00 22.23 H new ATOM 0 HA LEU A 10 -0.729 3.644 20.627 1.00 43.01 H new ATOM 0 HB2 LEU A 10 -0.082 1.143 20.626 1.00 12.52 H new ATOM 0 HB3 LEU A 10 -1.657 0.859 21.342 1.00 12.52 H new ATOM 0 HG LEU A 10 -1.535 0.501 18.879 1.00 21.45 H new ATOM 0 HD11 LEU A 10 -3.644 1.648 18.332 1.00 21.32 H new ATOM 0 HD12 LEU A 10 -3.685 0.895 19.944 1.00 21.32 H new ATOM 0 HD13 LEU A 10 -3.464 2.654 19.790 1.00 21.32 H new ATOM 0 HD21 LEU A 10 -1.549 2.488 17.397 1.00 3.03 H new ATOM 0 HD22 LEU A 10 -1.243 3.527 18.809 1.00 3.03 H new ATOM 0 HD23 LEU A 10 -0.021 2.338 18.298 1.00 3.03 H new ATOM 179 N ARG A 11 -2.847 4.503 21.558 1.00 64.01 N ATOM 180 CA ARG A 11 -4.130 5.010 22.011 1.00 24.13 C ATOM 181 C ARG A 11 -4.720 5.935 20.959 1.00 34.12 C ATOM 182 O ARG A 11 -4.223 5.990 19.833 1.00 71.44 O ATOM 183 CB ARG A 11 -3.972 5.727 23.356 1.00 31.32 C ATOM 184 CG ARG A 11 -2.976 6.877 23.335 1.00 72.35 C ATOM 185 CD ARG A 11 -2.670 7.363 24.743 1.00 32.30 C ATOM 186 NE ARG A 11 -1.744 8.493 24.750 1.00 52.02 N ATOM 187 CZ ARG A 11 -0.434 8.383 24.964 1.00 73.12 C ATOM 188 NH1 ARG A 11 0.117 7.184 25.122 1.00 61.44 N ATOM 189 NH2 ARG A 11 0.326 9.468 25.019 1.00 53.43 N ATOM 0 H ARG A 11 -2.335 5.139 20.947 1.00 64.01 H new ATOM 0 HA ARG A 11 -4.817 4.176 22.156 1.00 24.13 H new ATOM 0 HB2 ARG A 11 -4.944 6.108 23.668 1.00 31.32 H new ATOM 0 HB3 ARG A 11 -3.658 5.002 24.107 1.00 31.32 H new ATOM 0 HG2 ARG A 11 -2.054 6.555 22.850 1.00 72.35 H new ATOM 0 HG3 ARG A 11 -3.378 7.699 22.743 1.00 72.35 H new ATOM 0 HD2 ARG A 11 -3.598 7.654 25.234 1.00 32.30 H new ATOM 0 HD3 ARG A 11 -2.245 6.544 25.323 1.00 32.30 H new ATOM 0 HE ARG A 11 -2.124 9.424 24.580 1.00 52.02 H new ATOM 0 HH11 ARG A 11 -0.463 6.346 25.079 1.00 61.44 H new ATOM 0 HH12 ARG A 11 1.120 7.101 25.286 1.00 61.44 H new ATOM 0 HH21 ARG A 11 -0.092 10.390 24.897 1.00 53.43 H new ATOM 0 HH22 ARG A 11 1.329 9.380 25.183 1.00 53.43 H new ATOM 203 N LEU A 12 -5.778 6.651 21.316 1.00 12.33 N ATOM 204 CA LEU A 12 -6.453 7.536 20.376 1.00 63.31 C ATOM 205 C LEU A 12 -5.584 8.743 20.034 1.00 34.45 C ATOM 206 O LEU A 12 -5.672 9.791 20.677 1.00 62.12 O ATOM 207 CB LEU A 12 -7.806 8.005 20.932 1.00 61.51 C ATOM 208 CG LEU A 12 -8.911 6.939 21.004 1.00 70.30 C ATOM 209 CD1 LEU A 12 -9.088 6.251 19.659 1.00 1.54 C ATOM 210 CD2 LEU A 12 -8.624 5.918 22.096 1.00 61.11 C ATOM 0 H LEU A 12 -6.187 6.636 22.250 1.00 12.33 H new ATOM 0 HA LEU A 12 -6.630 6.967 19.464 1.00 63.31 H new ATOM 0 HB2 LEU A 12 -7.646 8.403 21.934 1.00 61.51 H new ATOM 0 HB3 LEU A 12 -8.164 8.830 20.315 1.00 61.51 H new ATOM 0 HG LEU A 12 -9.843 7.445 21.256 1.00 70.30 H new ATOM 0 HD11 LEU A 12 -9.875 5.501 19.735 1.00 1.54 H new ATOM 0 HD12 LEU A 12 -9.362 6.990 18.906 1.00 1.54 H new ATOM 0 HD13 LEU A 12 -8.154 5.769 19.371 1.00 1.54 H new ATOM 0 HD21 LEU A 12 -9.424 5.178 22.121 1.00 61.11 H new ATOM 0 HD22 LEU A 12 -7.676 5.421 21.889 1.00 61.11 H new ATOM 0 HD23 LEU A 12 -8.566 6.423 23.060 1.00 61.11 H new ATOM 222 N LEU A 13 -4.725 8.577 19.038 1.00 32.31 N ATOM 223 CA LEU A 13 -3.877 9.659 18.561 1.00 55.35 C ATOM 224 C LEU A 13 -4.617 10.425 17.468 1.00 62.23 C ATOM 225 O LEU A 13 -4.920 11.611 17.614 1.00 11.32 O ATOM 226 CB LEU A 13 -2.554 9.087 18.022 1.00 4.52 C ATOM 227 CG LEU A 13 -1.338 10.027 18.066 1.00 24.03 C ATOM 228 CD1 LEU A 13 -1.531 11.238 17.161 1.00 42.23 C ATOM 229 CD2 LEU A 13 -1.060 10.465 19.496 1.00 24.31 C ATOM 0 H LEU A 13 -4.597 7.695 18.541 1.00 32.31 H new ATOM 0 HA LEU A 13 -3.646 10.340 19.381 1.00 55.35 H new ATOM 0 HB2 LEU A 13 -2.313 8.189 18.590 1.00 4.52 H new ATOM 0 HB3 LEU A 13 -2.711 8.778 16.988 1.00 4.52 H new ATOM 0 HG LEU A 13 -0.476 9.474 17.693 1.00 24.03 H new ATOM 0 HD11 LEU A 13 -0.651 11.879 17.219 1.00 42.23 H new ATOM 0 HD12 LEU A 13 -1.671 10.905 16.133 1.00 42.23 H new ATOM 0 HD13 LEU A 13 -2.409 11.797 17.484 1.00 42.23 H new ATOM 0 HD21 LEU A 13 -0.196 11.130 19.511 1.00 24.31 H new ATOM 0 HD22 LEU A 13 -1.930 10.990 19.891 1.00 24.31 H new ATOM 0 HD23 LEU A 13 -0.854 9.589 20.111 1.00 24.31 H new ATOM 241 N THR A 14 -4.917 9.726 16.383 1.00 62.34 N ATOM 242 CA THR A 14 -5.672 10.294 15.283 1.00 12.32 C ATOM 243 C THR A 14 -6.281 9.176 14.444 1.00 74.30 C ATOM 244 O THR A 14 -5.667 8.123 14.267 1.00 22.35 O ATOM 245 CB THR A 14 -4.791 11.201 14.386 1.00 12.11 C ATOM 246 OG1 THR A 14 -5.550 11.672 13.265 1.00 23.41 O ATOM 247 CG2 THR A 14 -3.557 10.461 13.887 1.00 43.41 C ATOM 0 H THR A 14 -4.644 8.753 16.243 1.00 62.34 H new ATOM 0 HA THR A 14 -6.462 10.913 15.707 1.00 12.32 H new ATOM 0 HB THR A 14 -4.464 12.047 14.991 1.00 12.11 H new ATOM 0 HG1 THR A 14 -4.986 12.245 12.705 1.00 23.41 H new ATOM 0 HG21 THR A 14 -2.962 11.126 13.261 1.00 43.41 H new ATOM 0 HG22 THR A 14 -2.960 10.133 14.738 1.00 43.41 H new ATOM 0 HG23 THR A 14 -3.864 9.593 13.304 1.00 43.41 H new ATOM 255 N PRO A 15 -7.518 9.367 13.957 1.00 63.13 N ATOM 256 CA PRO A 15 -8.168 8.422 13.047 1.00 13.23 C ATOM 257 C PRO A 15 -7.528 8.440 11.662 1.00 31.33 C ATOM 258 O PRO A 15 -7.832 7.599 10.812 1.00 64.23 O ATOM 259 CB PRO A 15 -9.622 8.916 12.973 1.00 54.01 C ATOM 260 CG PRO A 15 -9.764 9.914 14.073 1.00 21.40 C ATOM 261 CD PRO A 15 -8.397 10.496 14.278 1.00 42.44 C ATOM 0 HA PRO A 15 -8.081 7.394 13.398 1.00 13.23 H new ATOM 0 HB2 PRO A 15 -9.833 9.368 12.004 1.00 54.01 H new ATOM 0 HB3 PRO A 15 -10.323 8.091 13.099 1.00 54.01 H new ATOM 0 HG2 PRO A 15 -10.483 10.689 13.807 1.00 21.40 H new ATOM 0 HG3 PRO A 15 -10.128 9.441 14.985 1.00 21.40 H new ATOM 0 HD2 PRO A 15 -8.217 11.349 13.623 1.00 42.44 H new ATOM 0 HD3 PRO A 15 -8.253 10.844 15.301 1.00 42.44 H new ATOM 269 N SER A 16 -6.648 9.408 11.438 1.00 71.04 N ATOM 270 CA SER A 16 -5.938 9.515 10.177 1.00 55.34 C ATOM 271 C SER A 16 -4.843 8.452 10.114 1.00 75.12 C ATOM 272 O SER A 16 -3.888 8.475 10.899 1.00 55.54 O ATOM 273 CB SER A 16 -5.343 10.917 10.019 1.00 1.13 C ATOM 274 OG SER A 16 -4.893 11.141 8.692 1.00 53.34 O ATOM 0 H SER A 16 -6.411 10.131 12.118 1.00 71.04 H new ATOM 0 HA SER A 16 -6.636 9.350 9.356 1.00 55.34 H new ATOM 0 HB2 SER A 16 -6.092 11.664 10.282 1.00 1.13 H new ATOM 0 HB3 SER A 16 -4.512 11.042 10.713 1.00 1.13 H new ATOM 0 HG SER A 16 -4.520 12.044 8.621 1.00 53.34 H new ATOM 280 N GLN A 17 -4.983 7.529 9.176 1.00 32.51 N ATOM 281 CA GLN A 17 -4.081 6.391 9.075 1.00 2.45 C ATOM 282 C GLN A 17 -2.692 6.825 8.619 1.00 32.43 C ATOM 283 O GLN A 17 -1.711 6.125 8.857 1.00 24.10 O ATOM 284 CB GLN A 17 -4.647 5.348 8.115 1.00 51.03 C ATOM 285 CG GLN A 17 -6.040 4.861 8.490 1.00 10.13 C ATOM 286 CD GLN A 17 -6.092 4.203 9.855 1.00 63.15 C ATOM 287 OE1 GLN A 17 -5.121 3.605 10.314 1.00 32.31 O ATOM 288 NE2 GLN A 17 -7.235 4.305 10.515 1.00 23.35 N ATOM 0 H GLN A 17 -5.718 7.546 8.469 1.00 32.51 H new ATOM 0 HA GLN A 17 -3.989 5.948 10.067 1.00 2.45 H new ATOM 0 HB2 GLN A 17 -4.678 5.771 7.111 1.00 51.03 H new ATOM 0 HB3 GLN A 17 -3.970 4.494 8.081 1.00 51.03 H new ATOM 0 HG2 GLN A 17 -6.730 5.705 8.473 1.00 10.13 H new ATOM 0 HG3 GLN A 17 -6.385 4.152 7.738 1.00 10.13 H new ATOM 0 HE21 GLN A 17 -8.019 4.809 10.102 1.00 23.35 H new ATOM 0 HE22 GLN A 17 -7.331 3.879 11.437 1.00 23.35 H new ATOM 297 N PHE A 18 -2.613 8.000 7.997 1.00 3.32 N ATOM 298 CA PHE A 18 -1.343 8.534 7.498 1.00 74.23 C ATOM 299 C PHE A 18 -0.298 8.622 8.610 1.00 62.04 C ATOM 300 O PHE A 18 0.901 8.521 8.360 1.00 72.22 O ATOM 301 CB PHE A 18 -1.555 9.917 6.877 1.00 2.20 C ATOM 302 CG PHE A 18 -2.421 9.902 5.648 1.00 14.13 C ATOM 303 CD1 PHE A 18 -1.885 9.574 4.412 1.00 55.35 C ATOM 304 CD2 PHE A 18 -3.768 10.217 5.727 1.00 23.43 C ATOM 305 CE1 PHE A 18 -2.675 9.563 3.280 1.00 62.02 C ATOM 306 CE2 PHE A 18 -4.564 10.207 4.598 1.00 22.30 C ATOM 307 CZ PHE A 18 -4.018 9.879 3.373 1.00 3.00 C ATOM 0 H PHE A 18 -3.417 8.604 7.825 1.00 3.32 H new ATOM 0 HA PHE A 18 -0.973 7.848 6.736 1.00 74.23 H new ATOM 0 HB2 PHE A 18 -2.006 10.574 7.621 1.00 2.20 H new ATOM 0 HB3 PHE A 18 -0.585 10.343 6.622 1.00 2.20 H new ATOM 0 HD1 PHE A 18 -0.837 9.324 4.334 1.00 55.35 H new ATOM 0 HD2 PHE A 18 -4.201 10.473 6.683 1.00 23.43 H new ATOM 0 HE1 PHE A 18 -2.245 9.308 2.323 1.00 62.02 H new ATOM 0 HE2 PHE A 18 -5.612 10.455 4.673 1.00 22.30 H new ATOM 0 HZ PHE A 18 -4.639 9.869 2.489 1.00 3.00 H new ATOM 317 N THR A 19 -0.760 8.825 9.834 1.00 30.33 N ATOM 318 CA THR A 19 0.120 8.832 10.990 1.00 41.44 C ATOM 319 C THR A 19 -0.042 7.539 11.791 1.00 44.21 C ATOM 320 O THR A 19 0.903 7.052 12.418 1.00 42.44 O ATOM 321 CB THR A 19 -0.176 10.048 11.892 1.00 54.53 C ATOM 322 OG1 THR A 19 -0.105 11.252 11.116 1.00 21.11 O ATOM 323 CG2 THR A 19 0.809 10.133 13.047 1.00 71.34 C ATOM 0 H THR A 19 -1.743 8.988 10.052 1.00 30.33 H new ATOM 0 HA THR A 19 1.148 8.902 10.634 1.00 41.44 H new ATOM 0 HB THR A 19 -1.178 9.927 12.304 1.00 54.53 H new ATOM 0 HG1 THR A 19 -0.295 12.023 11.690 1.00 21.11 H new ATOM 0 HG21 THR A 19 0.573 11.000 13.663 1.00 71.34 H new ATOM 0 HG22 THR A 19 0.740 9.229 13.652 1.00 71.34 H new ATOM 0 HG23 THR A 19 1.821 10.231 12.655 1.00 71.34 H new ATOM 331 N PHE A 20 -1.235 6.962 11.720 1.00 1.43 N ATOM 332 CA PHE A 20 -1.579 5.795 12.522 1.00 63.21 C ATOM 333 C PHE A 20 -0.807 4.552 12.063 1.00 14.21 C ATOM 334 O PHE A 20 -0.442 3.704 12.878 1.00 22.34 O ATOM 335 CB PHE A 20 -3.088 5.552 12.453 1.00 64.34 C ATOM 336 CG PHE A 20 -3.648 4.850 13.656 1.00 55.10 C ATOM 337 CD1 PHE A 20 -3.574 5.433 14.912 1.00 52.50 C ATOM 338 CD2 PHE A 20 -4.251 3.610 13.534 1.00 3.02 C ATOM 339 CE1 PHE A 20 -4.087 4.791 16.020 1.00 42.14 C ATOM 340 CE2 PHE A 20 -4.768 2.964 14.640 1.00 12.41 C ATOM 341 CZ PHE A 20 -4.686 3.556 15.885 1.00 52.22 C ATOM 0 H PHE A 20 -1.986 7.286 11.110 1.00 1.43 H new ATOM 0 HA PHE A 20 -1.294 5.990 13.556 1.00 63.21 H new ATOM 0 HB2 PHE A 20 -3.595 6.510 12.335 1.00 64.34 H new ATOM 0 HB3 PHE A 20 -3.311 4.962 11.564 1.00 64.34 H new ATOM 0 HD1 PHE A 20 -3.109 6.401 15.024 1.00 52.50 H new ATOM 0 HD2 PHE A 20 -4.318 3.142 12.563 1.00 3.02 H new ATOM 0 HE1 PHE A 20 -4.020 5.255 16.993 1.00 42.14 H new ATOM 0 HE2 PHE A 20 -5.236 1.997 14.531 1.00 12.41 H new ATOM 0 HZ PHE A 20 -5.090 3.053 16.751 1.00 52.22 H new ATOM 351 N VAL A 21 -0.547 4.446 10.761 1.00 50.13 N ATOM 352 CA VAL A 21 0.244 3.333 10.240 1.00 43.31 C ATOM 353 C VAL A 21 1.726 3.691 10.232 1.00 50.33 C ATOM 354 O VAL A 21 2.589 2.826 10.086 1.00 53.21 O ATOM 355 CB VAL A 21 -0.179 2.924 8.808 1.00 71.52 C ATOM 356 CG1 VAL A 21 -1.667 2.621 8.747 1.00 61.22 C ATOM 357 CG2 VAL A 21 0.200 3.994 7.791 1.00 12.43 C ATOM 0 H VAL A 21 -0.868 5.109 10.055 1.00 50.13 H new ATOM 0 HA VAL A 21 0.062 2.487 10.903 1.00 43.31 H new ATOM 0 HB VAL A 21 0.363 2.014 8.550 1.00 71.52 H new ATOM 0 HG11 VAL A 21 -1.939 2.336 7.731 1.00 61.22 H new ATOM 0 HG12 VAL A 21 -1.900 1.802 9.428 1.00 61.22 H new ATOM 0 HG13 VAL A 21 -2.231 3.507 9.039 1.00 61.22 H new ATOM 0 HG21 VAL A 21 -0.111 3.676 6.796 1.00 12.43 H new ATOM 0 HG22 VAL A 21 -0.298 4.930 8.045 1.00 12.43 H new ATOM 0 HG23 VAL A 21 1.280 4.142 7.804 1.00 12.43 H new ATOM 367 N PHE A 22 2.010 4.976 10.417 1.00 62.44 N ATOM 368 CA PHE A 22 3.375 5.483 10.353 1.00 53.34 C ATOM 369 C PHE A 22 4.132 5.152 11.637 1.00 44.25 C ATOM 370 O PHE A 22 5.334 5.398 11.745 1.00 63.45 O ATOM 371 CB PHE A 22 3.360 6.998 10.107 1.00 55.35 C ATOM 372 CG PHE A 22 4.707 7.580 9.778 1.00 2.00 C ATOM 373 CD1 PHE A 22 5.332 7.274 8.580 1.00 25.20 C ATOM 374 CD2 PHE A 22 5.346 8.433 10.665 1.00 64.35 C ATOM 375 CE1 PHE A 22 6.570 7.805 8.274 1.00 0.13 C ATOM 376 CE2 PHE A 22 6.583 8.967 10.363 1.00 23.54 C ATOM 377 CZ PHE A 22 7.196 8.654 9.166 1.00 61.52 C ATOM 0 H PHE A 22 1.308 5.689 10.614 1.00 62.44 H new ATOM 0 HA PHE A 22 3.891 4.999 9.523 1.00 53.34 H new ATOM 0 HB2 PHE A 22 2.673 7.216 9.290 1.00 55.35 H new ATOM 0 HB3 PHE A 22 2.968 7.495 10.994 1.00 55.35 H new ATOM 0 HD1 PHE A 22 4.846 6.613 7.878 1.00 25.20 H new ATOM 0 HD2 PHE A 22 4.871 8.682 11.602 1.00 64.35 H new ATOM 0 HE1 PHE A 22 7.048 7.557 7.338 1.00 0.13 H new ATOM 0 HE2 PHE A 22 7.071 9.629 11.063 1.00 23.54 H new ATOM 0 HZ PHE A 22 8.163 9.072 8.928 1.00 61.52 H new ATOM 387 N GLN A 23 3.420 4.589 12.608 1.00 33.42 N ATOM 388 CA GLN A 23 4.041 4.151 13.852 1.00 13.44 C ATOM 389 C GLN A 23 5.113 3.107 13.553 1.00 1.15 C ATOM 390 O GLN A 23 6.199 3.123 14.134 1.00 64.14 O ATOM 391 CB GLN A 23 2.990 3.575 14.804 1.00 65.22 C ATOM 392 CG GLN A 23 1.873 4.549 15.158 1.00 13.53 C ATOM 393 CD GLN A 23 2.388 5.870 15.694 1.00 64.23 C ATOM 394 OE1 GLN A 23 2.621 6.020 16.892 1.00 72.01 O ATOM 395 NE2 GLN A 23 2.551 6.840 14.810 1.00 1.30 N ATOM 0 H GLN A 23 2.414 4.426 12.557 1.00 33.42 H new ATOM 0 HA GLN A 23 4.505 5.011 14.335 1.00 13.44 H new ATOM 0 HB2 GLN A 23 2.552 2.686 14.350 1.00 65.22 H new ATOM 0 HB3 GLN A 23 3.483 3.255 15.722 1.00 65.22 H new ATOM 0 HG2 GLN A 23 1.266 4.734 14.272 1.00 13.53 H new ATOM 0 HG3 GLN A 23 1.221 4.091 15.901 1.00 13.53 H new ATOM 0 HE21 GLN A 23 2.346 6.672 13.825 1.00 1.30 H new ATOM 0 HE22 GLN A 23 2.882 7.756 15.113 1.00 1.30 H new ATOM 404 N GLN A 24 4.801 2.216 12.623 1.00 13.40 N ATOM 405 CA GLN A 24 5.750 1.220 12.152 1.00 50.05 C ATOM 406 C GLN A 24 5.420 0.854 10.709 1.00 62.21 C ATOM 407 O GLN A 24 4.734 -0.134 10.453 1.00 4.43 O ATOM 408 CB GLN A 24 5.717 -0.031 13.040 1.00 12.13 C ATOM 409 CG GLN A 24 6.782 -1.061 12.689 1.00 33.14 C ATOM 410 CD GLN A 24 6.677 -2.325 13.518 1.00 54.22 C ATOM 411 OE1 GLN A 24 7.255 -2.423 14.602 1.00 71.00 O ATOM 412 NE2 GLN A 24 5.942 -3.306 13.014 1.00 5.24 N ATOM 0 H GLN A 24 3.886 2.164 12.176 1.00 13.40 H new ATOM 0 HA GLN A 24 6.755 1.638 12.201 1.00 50.05 H new ATOM 0 HB2 GLN A 24 5.844 0.269 14.080 1.00 12.13 H new ATOM 0 HB3 GLN A 24 4.734 -0.496 12.960 1.00 12.13 H new ATOM 0 HG2 GLN A 24 6.698 -1.317 11.633 1.00 33.14 H new ATOM 0 HG3 GLN A 24 7.768 -0.620 12.832 1.00 33.14 H new ATOM 0 HE21 GLN A 24 5.479 -3.185 12.113 1.00 5.24 H new ATOM 0 HE22 GLN A 24 5.839 -4.181 13.527 1.00 5.24 H new ATOM 421 N PRO A 25 5.861 1.677 9.748 1.00 73.54 N ATOM 422 CA PRO A 25 5.550 1.466 8.336 1.00 64.54 C ATOM 423 C PRO A 25 6.330 0.297 7.738 1.00 61.40 C ATOM 424 O PRO A 25 7.520 0.409 7.434 1.00 32.23 O ATOM 425 CB PRO A 25 5.940 2.791 7.680 1.00 45.33 C ATOM 426 CG PRO A 25 6.996 3.361 8.567 1.00 53.24 C ATOM 427 CD PRO A 25 6.696 2.875 9.961 1.00 52.43 C ATOM 0 HA PRO A 25 4.504 1.203 8.180 1.00 64.54 H new ATOM 0 HB2 PRO A 25 6.315 2.636 6.668 1.00 45.33 H new ATOM 0 HB3 PRO A 25 5.084 3.461 7.603 1.00 45.33 H new ATOM 0 HG2 PRO A 25 7.986 3.036 8.248 1.00 53.24 H new ATOM 0 HG3 PRO A 25 6.989 4.450 8.527 1.00 53.24 H new ATOM 0 HD2 PRO A 25 7.609 2.634 10.505 1.00 52.43 H new ATOM 0 HD3 PRO A 25 6.169 3.631 10.543 1.00 52.43 H new ATOM 435 N GLN A 26 5.651 -0.829 7.601 1.00 35.03 N ATOM 436 CA GLN A 26 6.241 -2.029 7.039 1.00 12.24 C ATOM 437 C GLN A 26 6.312 -1.918 5.520 1.00 62.24 C ATOM 438 O GLN A 26 5.292 -1.775 4.843 1.00 43.55 O ATOM 439 CB GLN A 26 5.425 -3.246 7.478 1.00 63.44 C ATOM 440 CG GLN A 26 5.479 -3.473 8.985 1.00 14.42 C ATOM 441 CD GLN A 26 4.308 -4.277 9.520 1.00 4.05 C ATOM 442 OE1 GLN A 26 3.907 -4.107 10.673 1.00 11.11 O ATOM 443 NE2 GLN A 26 3.747 -5.147 8.693 1.00 41.44 N ATOM 0 H GLN A 26 4.675 -0.936 7.877 1.00 35.03 H new ATOM 0 HA GLN A 26 7.260 -2.148 7.406 1.00 12.24 H new ATOM 0 HB2 GLN A 26 4.388 -3.114 7.171 1.00 63.44 H new ATOM 0 HB3 GLN A 26 5.798 -4.133 6.967 1.00 63.44 H new ATOM 0 HG2 GLN A 26 6.407 -3.988 9.233 1.00 14.42 H new ATOM 0 HG3 GLN A 26 5.506 -2.507 9.489 1.00 14.42 H new ATOM 0 HE21 GLN A 26 4.110 -5.257 7.746 1.00 41.44 H new ATOM 0 HE22 GLN A 26 2.953 -5.706 9.003 1.00 41.44 H new ATOM 452 N ARG A 27 7.531 -1.963 5.001 1.00 64.23 N ATOM 453 CA ARG A 27 7.786 -1.718 3.586 1.00 74.44 C ATOM 454 C ARG A 27 7.557 -2.984 2.765 1.00 13.22 C ATOM 455 O ARG A 27 8.247 -3.988 2.952 1.00 65.34 O ATOM 456 CB ARG A 27 9.230 -1.224 3.414 1.00 61.21 C ATOM 457 CG ARG A 27 9.463 -0.338 2.194 1.00 23.40 C ATOM 458 CD ARG A 27 9.422 -1.106 0.881 1.00 53.05 C ATOM 459 NE ARG A 27 9.727 -0.239 -0.255 1.00 1.31 N ATOM 460 CZ ARG A 27 9.261 -0.424 -1.487 1.00 33.41 C ATOM 461 NH1 ARG A 27 8.533 -1.497 -1.770 1.00 63.13 N ATOM 462 NH2 ARG A 27 9.538 0.454 -2.444 1.00 75.11 N ATOM 0 H ARG A 27 8.369 -2.169 5.545 1.00 64.23 H new ATOM 0 HA ARG A 27 7.093 -0.957 3.226 1.00 74.44 H new ATOM 0 HB2 ARG A 27 9.518 -0.671 4.308 1.00 61.21 H new ATOM 0 HB3 ARG A 27 9.890 -2.089 3.348 1.00 61.21 H new ATOM 0 HG2 ARG A 27 8.707 0.447 2.173 1.00 23.40 H new ATOM 0 HG3 ARG A 27 10.431 0.155 2.290 1.00 23.40 H new ATOM 0 HD2 ARG A 27 10.138 -1.927 0.916 1.00 53.05 H new ATOM 0 HD3 ARG A 27 8.435 -1.549 0.748 1.00 53.05 H new ATOM 0 HE ARG A 27 10.338 0.561 -0.092 1.00 1.31 H new ATOM 0 HH11 ARG A 27 8.330 -2.182 -1.042 1.00 63.13 H new ATOM 0 HH12 ARG A 27 8.177 -1.637 -2.715 1.00 63.13 H new ATOM 0 HH21 ARG A 27 10.109 1.273 -2.235 1.00 75.11 H new ATOM 0 HH22 ARG A 27 9.179 0.310 -3.388 1.00 75.11 H new ATOM 476 N ALA A 28 6.586 -2.930 1.864 1.00 71.24 N ATOM 477 CA ALA A 28 6.306 -4.044 0.970 1.00 21.32 C ATOM 478 C ALA A 28 5.989 -3.538 -0.433 1.00 72.32 C ATOM 479 O ALA A 28 5.917 -2.328 -0.666 1.00 31.41 O ATOM 480 CB ALA A 28 5.152 -4.881 1.504 1.00 61.43 C ATOM 0 H ALA A 28 5.977 -2.123 1.733 1.00 71.24 H new ATOM 0 HA ALA A 28 7.195 -4.673 0.918 1.00 21.32 H new ATOM 0 HB1 ALA A 28 4.957 -5.709 0.822 1.00 61.43 H new ATOM 0 HB2 ALA A 28 5.412 -5.274 2.487 1.00 61.43 H new ATOM 0 HB3 ALA A 28 4.260 -4.260 1.585 1.00 61.43 H new ATOM 486 N GLY A 29 5.823 -4.460 -1.370 1.00 55.24 N ATOM 487 CA GLY A 29 5.454 -4.085 -2.718 1.00 23.14 C ATOM 488 C GLY A 29 6.651 -3.937 -3.636 1.00 12.51 C ATOM 489 O GLY A 29 7.620 -4.689 -3.534 1.00 62.43 O ATOM 0 H GLY A 29 5.938 -5.462 -1.220 1.00 55.24 H new ATOM 0 HA2 GLY A 29 4.779 -4.837 -3.127 1.00 23.14 H new ATOM 0 HA3 GLY A 29 4.904 -3.144 -2.691 1.00 23.14 H new ATOM 493 N THR A 30 6.588 -2.952 -4.518 1.00 54.23 N ATOM 494 CA THR A 30 7.613 -2.746 -5.531 1.00 64.21 C ATOM 495 C THR A 30 8.420 -1.481 -5.213 1.00 42.50 C ATOM 496 O THR A 30 7.916 -0.582 -4.546 1.00 73.40 O ATOM 497 CB THR A 30 6.935 -2.597 -6.912 1.00 14.33 C ATOM 498 OG1 THR A 30 5.827 -3.496 -6.992 1.00 42.44 O ATOM 499 CG2 THR A 30 7.894 -2.888 -8.056 1.00 13.14 C ATOM 0 H THR A 30 5.827 -2.274 -4.553 1.00 54.23 H new ATOM 0 HA THR A 30 8.289 -3.601 -5.542 1.00 64.21 H new ATOM 0 HB THR A 30 6.604 -1.563 -7.008 1.00 14.33 H new ATOM 0 HG1 THR A 30 5.393 -3.403 -7.866 1.00 42.44 H new ATOM 0 HG21 THR A 30 7.373 -2.771 -9.006 1.00 13.14 H new ATOM 0 HG22 THR A 30 8.733 -2.193 -8.014 1.00 13.14 H new ATOM 0 HG23 THR A 30 8.265 -3.909 -7.969 1.00 13.14 H new ATOM 507 N PRO A 31 9.695 -1.402 -5.628 1.00 4.23 N ATOM 508 CA PRO A 31 10.472 -0.161 -5.538 1.00 21.25 C ATOM 509 C PRO A 31 9.764 1.006 -6.232 1.00 63.53 C ATOM 510 O PRO A 31 9.753 2.127 -5.725 1.00 60.41 O ATOM 511 CB PRO A 31 11.793 -0.494 -6.249 1.00 23.45 C ATOM 512 CG PRO A 31 11.559 -1.791 -6.949 1.00 24.52 C ATOM 513 CD PRO A 31 10.505 -2.507 -6.155 1.00 31.54 C ATOM 0 HA PRO A 31 10.612 0.157 -4.505 1.00 21.25 H new ATOM 0 HB2 PRO A 31 12.065 0.289 -6.957 1.00 23.45 H new ATOM 0 HB3 PRO A 31 12.612 -0.577 -5.535 1.00 23.45 H new ATOM 0 HG2 PRO A 31 11.230 -1.627 -7.975 1.00 24.52 H new ATOM 0 HG3 PRO A 31 12.476 -2.378 -6.999 1.00 24.52 H new ATOM 0 HD2 PRO A 31 9.916 -3.180 -6.778 1.00 31.54 H new ATOM 0 HD3 PRO A 31 10.938 -3.109 -5.356 1.00 31.54 H new ATOM 521 N GLN A 32 9.152 0.723 -7.379 1.00 21.42 N ATOM 522 CA GLN A 32 8.460 1.743 -8.163 1.00 1.11 C ATOM 523 C GLN A 32 7.136 2.140 -7.502 1.00 51.30 C ATOM 524 O GLN A 32 6.754 3.311 -7.504 1.00 2.10 O ATOM 525 CB GLN A 32 8.203 1.220 -9.578 1.00 65.42 C ATOM 526 CG GLN A 32 7.761 2.289 -10.567 1.00 12.42 C ATOM 527 CD GLN A 32 8.815 3.356 -10.791 1.00 4.43 C ATOM 528 OE1 GLN A 32 9.697 3.202 -11.636 1.00 20.32 O ATOM 529 NE2 GLN A 32 8.723 4.449 -10.051 1.00 10.52 N ATOM 0 H GLN A 32 9.121 -0.211 -7.789 1.00 21.42 H new ATOM 0 HA GLN A 32 9.093 2.629 -8.212 1.00 1.11 H new ATOM 0 HB2 GLN A 32 9.113 0.750 -9.951 1.00 65.42 H new ATOM 0 HB3 GLN A 32 7.439 0.444 -9.533 1.00 65.42 H new ATOM 0 HG2 GLN A 32 7.519 1.818 -11.520 1.00 12.42 H new ATOM 0 HG3 GLN A 32 6.847 2.759 -10.203 1.00 12.42 H new ATOM 0 HE21 GLN A 32 7.976 4.537 -9.362 1.00 10.52 H new ATOM 0 HE22 GLN A 32 9.399 5.204 -10.170 1.00 10.52 H new ATOM 538 N ILE A 33 6.445 1.157 -6.939 1.00 31.30 N ATOM 539 CA ILE A 33 5.174 1.390 -6.267 1.00 33.05 C ATOM 540 C ILE A 33 5.199 0.772 -4.869 1.00 40.10 C ATOM 541 O ILE A 33 5.190 -0.452 -4.709 1.00 23.32 O ATOM 542 CB ILE A 33 3.983 0.846 -7.099 1.00 31.31 C ATOM 543 CG1 ILE A 33 2.683 0.908 -6.291 1.00 50.52 C ATOM 544 CG2 ILE A 33 4.251 -0.573 -7.592 1.00 42.41 C ATOM 545 CD1 ILE A 33 1.473 0.421 -7.054 1.00 22.21 C ATOM 0 H ILE A 33 6.747 0.183 -6.935 1.00 31.30 H new ATOM 0 HA ILE A 33 5.031 2.466 -6.169 1.00 33.05 H new ATOM 0 HB ILE A 33 3.871 1.484 -7.976 1.00 31.31 H new ATOM 0 HG12 ILE A 33 2.798 0.309 -5.387 1.00 50.52 H new ATOM 0 HG13 ILE A 33 2.512 1.936 -5.972 1.00 50.52 H new ATOM 0 HG21 ILE A 33 3.397 -0.924 -8.171 1.00 42.41 H new ATOM 0 HG22 ILE A 33 5.142 -0.578 -8.220 1.00 42.41 H new ATOM 0 HG23 ILE A 33 4.405 -1.232 -6.738 1.00 42.41 H new ATOM 0 HD11 ILE A 33 0.589 0.494 -6.420 1.00 22.21 H new ATOM 0 HD12 ILE A 33 1.333 1.035 -7.944 1.00 22.21 H new ATOM 0 HD13 ILE A 33 1.623 -0.617 -7.350 1.00 22.21 H new ATOM 557 N THR A 34 5.254 1.628 -3.860 1.00 22.03 N ATOM 558 CA THR A 34 5.476 1.189 -2.490 1.00 51.34 C ATOM 559 C THR A 34 4.161 0.962 -1.749 1.00 62.41 C ATOM 560 O THR A 34 3.282 1.820 -1.754 1.00 15.42 O ATOM 561 CB THR A 34 6.306 2.237 -1.724 1.00 23.04 C ATOM 562 OG1 THR A 34 7.466 2.578 -2.490 1.00 50.13 O ATOM 563 CG2 THR A 34 6.729 1.722 -0.355 1.00 53.33 C ATOM 0 H THR A 34 5.147 2.637 -3.965 1.00 22.03 H new ATOM 0 HA THR A 34 6.016 0.243 -2.537 1.00 51.34 H new ATOM 0 HB THR A 34 5.684 3.120 -1.573 1.00 23.04 H new ATOM 0 HG1 THR A 34 7.994 3.246 -2.005 1.00 50.13 H new ATOM 0 HG21 THR A 34 7.313 2.487 0.157 1.00 53.33 H new ATOM 0 HG22 THR A 34 5.843 1.486 0.235 1.00 53.33 H new ATOM 0 HG23 THR A 34 7.335 0.824 -0.475 1.00 53.33 H new ATOM 571 N ILE A 35 4.033 -0.195 -1.114 1.00 25.32 N ATOM 572 CA ILE A 35 2.880 -0.483 -0.278 1.00 11.44 C ATOM 573 C ILE A 35 3.311 -0.504 1.183 1.00 64.44 C ATOM 574 O ILE A 35 4.163 -1.305 1.576 1.00 3.21 O ATOM 575 CB ILE A 35 2.206 -1.835 -0.639 1.00 64.21 C ATOM 576 CG1 ILE A 35 1.603 -1.799 -2.050 1.00 21.25 C ATOM 577 CG2 ILE A 35 1.126 -2.186 0.375 1.00 33.22 C ATOM 578 CD1 ILE A 35 2.603 -2.037 -3.163 1.00 43.32 C ATOM 0 H ILE A 35 4.717 -0.950 -1.163 1.00 25.32 H new ATOM 0 HA ILE A 35 2.144 0.302 -0.451 1.00 11.44 H new ATOM 0 HB ILE A 35 2.979 -2.603 -0.615 1.00 64.21 H new ATOM 0 HG12 ILE A 35 0.818 -2.552 -2.116 1.00 21.25 H new ATOM 0 HG13 ILE A 35 1.129 -0.830 -2.205 1.00 21.25 H new ATOM 0 HG21 ILE A 35 0.667 -3.136 0.103 1.00 33.22 H new ATOM 0 HG22 ILE A 35 1.571 -2.268 1.367 1.00 33.22 H new ATOM 0 HG23 ILE A 35 0.366 -1.405 0.382 1.00 33.22 H new ATOM 0 HD11 ILE A 35 2.093 -1.995 -4.125 1.00 43.32 H new ATOM 0 HD12 ILE A 35 3.376 -1.269 -3.128 1.00 43.32 H new ATOM 0 HD13 ILE A 35 3.060 -3.018 -3.038 1.00 43.32 H new ATOM 590 N LEU A 36 2.752 0.394 1.979 1.00 31.10 N ATOM 591 CA LEU A 36 3.090 0.467 3.390 1.00 70.33 C ATOM 592 C LEU A 36 1.900 0.060 4.247 1.00 41.14 C ATOM 593 O LEU A 36 0.748 0.299 3.884 1.00 54.30 O ATOM 594 CB LEU A 36 3.545 1.879 3.766 1.00 2.15 C ATOM 595 CG LEU A 36 4.819 2.365 3.073 1.00 24.13 C ATOM 596 CD1 LEU A 36 5.105 3.815 3.438 1.00 54.11 C ATOM 597 CD2 LEU A 36 6.001 1.482 3.444 1.00 42.24 C ATOM 0 H LEU A 36 2.063 1.081 1.672 1.00 31.10 H new ATOM 0 HA LEU A 36 3.911 -0.225 3.576 1.00 70.33 H new ATOM 0 HB2 LEU A 36 2.739 2.575 3.536 1.00 2.15 H new ATOM 0 HB3 LEU A 36 3.701 1.917 4.844 1.00 2.15 H new ATOM 0 HG LEU A 36 4.667 2.303 1.995 1.00 24.13 H new ATOM 0 HD11 LEU A 36 6.015 4.144 2.936 1.00 54.11 H new ATOM 0 HD12 LEU A 36 4.270 4.441 3.123 1.00 54.11 H new ATOM 0 HD13 LEU A 36 5.235 3.900 4.517 1.00 54.11 H new ATOM 0 HD21 LEU A 36 6.898 1.844 2.941 1.00 42.24 H new ATOM 0 HD22 LEU A 36 6.153 1.512 4.523 1.00 42.24 H new ATOM 0 HD23 LEU A 36 5.800 0.456 3.134 1.00 42.24 H new ATOM 609 N GLY A 37 2.191 -0.564 5.376 1.00 33.24 N ATOM 610 CA GLY A 37 1.154 -0.966 6.302 1.00 5.23 C ATOM 611 C GLY A 37 1.729 -1.289 7.662 1.00 11.22 C ATOM 612 O GLY A 37 2.934 -1.160 7.872 1.00 53.50 O ATOM 0 H GLY A 37 3.138 -0.802 5.671 1.00 33.24 H new ATOM 0 HA2 GLY A 37 0.418 -0.168 6.396 1.00 5.23 H new ATOM 0 HA3 GLY A 37 0.631 -1.838 5.909 1.00 5.23 H new ATOM 616 N ARG A 38 0.878 -1.703 8.586 1.00 70.00 N ATOM 617 CA ARG A 38 1.332 -2.072 9.918 1.00 20.34 C ATOM 618 C ARG A 38 0.452 -3.193 10.465 1.00 75.34 C ATOM 619 O ARG A 38 0.791 -4.367 10.339 1.00 42.34 O ATOM 620 CB ARG A 38 1.313 -0.840 10.847 1.00 21.05 C ATOM 621 CG ARG A 38 2.238 -0.925 12.059 1.00 15.43 C ATOM 622 CD ARG A 38 1.835 -2.021 13.031 1.00 63.24 C ATOM 623 NE ARG A 38 2.635 -1.986 14.253 1.00 61.21 N ATOM 624 CZ ARG A 38 3.092 -3.065 14.882 1.00 31.40 C ATOM 625 NH1 ARG A 38 2.877 -4.277 14.388 1.00 34.12 N ATOM 626 NH2 ARG A 38 3.783 -2.927 16.001 1.00 21.12 N ATOM 0 H ARG A 38 -0.128 -1.792 8.440 1.00 70.00 H new ATOM 0 HA ARG A 38 2.359 -2.434 9.867 1.00 20.34 H new ATOM 0 HB2 ARG A 38 1.585 0.039 10.263 1.00 21.05 H new ATOM 0 HB3 ARG A 38 0.293 -0.686 11.199 1.00 21.05 H new ATOM 0 HG2 ARG A 38 3.258 -1.104 11.720 1.00 15.43 H new ATOM 0 HG3 ARG A 38 2.238 0.033 12.578 1.00 15.43 H new ATOM 0 HD2 ARG A 38 0.780 -1.912 13.284 1.00 63.24 H new ATOM 0 HD3 ARG A 38 1.949 -2.993 12.550 1.00 63.24 H new ATOM 0 HE ARG A 38 2.858 -1.073 14.650 1.00 61.21 H new ATOM 0 HH11 ARG A 38 2.357 -4.388 13.518 1.00 34.12 H new ATOM 0 HH12 ARG A 38 3.232 -5.098 14.878 1.00 34.12 H new ATOM 0 HH21 ARG A 38 3.963 -1.996 16.378 1.00 21.12 H new ATOM 0 HH22 ARG A 38 4.136 -3.751 16.487 1.00 21.12 H new ATOM 640 N LEU A 39 -0.696 -2.813 11.023 1.00 13.40 N ATOM 641 CA LEU A 39 -1.627 -3.743 11.658 1.00 55.33 C ATOM 642 C LEU A 39 -2.686 -2.931 12.382 1.00 1.40 C ATOM 643 O LEU A 39 -2.506 -2.544 13.536 1.00 50.34 O ATOM 644 CB LEU A 39 -0.910 -4.671 12.651 1.00 23.21 C ATOM 645 CG LEU A 39 -1.773 -5.786 13.245 1.00 31.10 C ATOM 646 CD1 LEU A 39 -2.323 -6.684 12.146 1.00 5.25 C ATOM 647 CD2 LEU A 39 -0.968 -6.598 14.248 1.00 73.15 C ATOM 0 H LEU A 39 -1.009 -1.842 11.047 1.00 13.40 H new ATOM 0 HA LEU A 39 -2.079 -4.374 10.892 1.00 55.33 H new ATOM 0 HB2 LEU A 39 -0.056 -5.124 12.147 1.00 23.21 H new ATOM 0 HB3 LEU A 39 -0.515 -4.066 13.467 1.00 23.21 H new ATOM 0 HG LEU A 39 -2.616 -5.331 13.764 1.00 31.10 H new ATOM 0 HD11 LEU A 39 -2.934 -7.470 12.590 1.00 5.25 H new ATOM 0 HD12 LEU A 39 -2.933 -6.092 11.464 1.00 5.25 H new ATOM 0 HD13 LEU A 39 -1.496 -7.134 11.596 1.00 5.25 H new ATOM 0 HD21 LEU A 39 -1.594 -7.388 14.663 1.00 73.15 H new ATOM 0 HD22 LEU A 39 -0.107 -7.042 13.749 1.00 73.15 H new ATOM 0 HD23 LEU A 39 -0.625 -5.947 15.052 1.00 73.15 H new ATOM 659 N ASN A 40 -3.768 -2.636 11.686 1.00 71.42 N ATOM 660 CA ASN A 40 -4.754 -1.691 12.182 1.00 0.32 C ATOM 661 C ASN A 40 -6.157 -2.238 11.967 1.00 2.43 C ATOM 662 O ASN A 40 -6.388 -3.017 11.048 1.00 3.34 O ATOM 663 CB ASN A 40 -4.600 -0.347 11.459 1.00 5.13 C ATOM 664 CG ASN A 40 -3.174 0.181 11.497 1.00 3.00 C ATOM 665 OD1 ASN A 40 -2.354 -0.150 10.639 1.00 50.52 O ATOM 666 ND2 ASN A 40 -2.865 1.001 12.488 1.00 1.31 N ATOM 0 H ASN A 40 -3.988 -3.037 10.774 1.00 71.42 H new ATOM 0 HA ASN A 40 -4.594 -1.541 13.250 1.00 0.32 H new ATOM 0 HB2 ASN A 40 -4.914 -0.460 10.421 1.00 5.13 H new ATOM 0 HB3 ASN A 40 -5.266 0.385 11.916 1.00 5.13 H new ATOM 0 HD21 ASN A 40 -1.921 1.381 12.560 1.00 1.31 H new ATOM 0 HD22 ASN A 40 -3.570 1.253 13.180 1.00 1.31 H new ATOM 673 N SER A 41 -7.086 -1.838 12.814 1.00 43.01 N ATOM 674 CA SER A 41 -8.457 -2.306 12.705 1.00 64.12 C ATOM 675 C SER A 41 -9.319 -1.303 11.944 1.00 22.41 C ATOM 676 O SER A 41 -9.809 -0.331 12.518 1.00 61.33 O ATOM 677 CB SER A 41 -9.034 -2.550 14.099 1.00 4.23 C ATOM 678 OG SER A 41 -8.180 -3.392 14.856 1.00 23.44 O ATOM 0 H SER A 41 -6.918 -1.191 13.585 1.00 43.01 H new ATOM 0 HA SER A 41 -8.458 -3.242 12.147 1.00 64.12 H new ATOM 0 HB2 SER A 41 -9.165 -1.599 14.615 1.00 4.23 H new ATOM 0 HB3 SER A 41 -10.021 -3.006 14.015 1.00 4.23 H new ATOM 0 HG SER A 41 -8.566 -3.535 15.745 1.00 23.44 H new ATOM 684 N LEU A 42 -9.463 -1.517 10.642 1.00 14.00 N ATOM 685 CA LEU A 42 -10.332 -0.674 9.827 1.00 14.44 C ATOM 686 C LEU A 42 -11.678 -1.352 9.600 1.00 73.44 C ATOM 687 O LEU A 42 -12.698 -0.689 9.398 1.00 52.34 O ATOM 688 CB LEU A 42 -9.677 -0.334 8.481 1.00 21.22 C ATOM 689 CG LEU A 42 -8.683 0.838 8.496 1.00 60.34 C ATOM 690 CD1 LEU A 42 -9.366 2.108 8.972 1.00 2.22 C ATOM 691 CD2 LEU A 42 -7.473 0.527 9.364 1.00 41.54 C ATOM 0 H LEU A 42 -8.993 -2.263 10.129 1.00 14.00 H new ATOM 0 HA LEU A 42 -10.494 0.257 10.370 1.00 14.44 H new ATOM 0 HB2 LEU A 42 -9.158 -1.221 8.117 1.00 21.22 H new ATOM 0 HB3 LEU A 42 -10.465 -0.108 7.762 1.00 21.22 H new ATOM 0 HG LEU A 42 -8.331 0.991 7.476 1.00 60.34 H new ATOM 0 HD11 LEU A 42 -8.648 2.928 8.976 1.00 2.22 H new ATOM 0 HD12 LEU A 42 -10.190 2.351 8.301 1.00 2.22 H new ATOM 0 HD13 LEU A 42 -9.751 1.958 9.980 1.00 2.22 H new ATOM 0 HD21 LEU A 42 -6.790 1.376 9.353 1.00 41.54 H new ATOM 0 HD22 LEU A 42 -7.798 0.336 10.387 1.00 41.54 H new ATOM 0 HD23 LEU A 42 -6.963 -0.354 8.975 1.00 41.54 H new ATOM 703 N GLY A 43 -11.678 -2.679 9.631 1.00 72.54 N ATOM 704 CA GLY A 43 -12.909 -3.429 9.463 1.00 2.21 C ATOM 705 C GLY A 43 -13.206 -3.728 8.007 1.00 75.34 C ATOM 706 O GLY A 43 -13.507 -4.862 7.646 1.00 64.32 O ATOM 0 H GLY A 43 -10.845 -3.251 9.770 1.00 72.54 H new ATOM 0 HA2 GLY A 43 -12.840 -4.365 10.017 1.00 2.21 H new ATOM 0 HA3 GLY A 43 -13.737 -2.865 9.892 1.00 2.21 H new ATOM 710 N HIS A 44 -13.114 -2.709 7.169 1.00 3.13 N ATOM 711 CA HIS A 44 -13.311 -2.877 5.737 1.00 34.44 C ATOM 712 C HIS A 44 -12.112 -2.320 4.979 1.00 22.20 C ATOM 713 O HIS A 44 -11.417 -1.435 5.482 1.00 22.54 O ATOM 714 CB HIS A 44 -14.608 -2.202 5.276 1.00 41.40 C ATOM 715 CG HIS A 44 -15.854 -2.891 5.754 1.00 71.22 C ATOM 716 ND1 HIS A 44 -15.915 -4.243 6.031 1.00 72.12 N ATOM 717 CD2 HIS A 44 -17.092 -2.405 6.001 1.00 41.14 C ATOM 718 CE1 HIS A 44 -17.135 -4.554 6.423 1.00 1.11 C ATOM 719 NE2 HIS A 44 -17.868 -3.460 6.415 1.00 61.44 N ATOM 0 H HIS A 44 -12.903 -1.753 7.456 1.00 3.13 H new ATOM 0 HA HIS A 44 -13.399 -3.942 5.522 1.00 34.44 H new ATOM 0 HB2 HIS A 44 -14.616 -1.171 5.630 1.00 41.40 H new ATOM 0 HB3 HIS A 44 -14.620 -2.165 4.187 1.00 41.40 H new ATOM 0 HD2 HIS A 44 -17.411 -1.379 5.893 1.00 41.14 H new ATOM 0 HE1 HIS A 44 -17.476 -5.540 6.703 1.00 1.11 H new ATOM 0 HE2 HIS A 44 -18.853 -3.405 6.674 1.00 61.44 H new ATOM 728 N PRO A 45 -11.847 -2.845 3.770 1.00 73.14 N ATOM 729 CA PRO A 45 -10.686 -2.448 2.960 1.00 64.54 C ATOM 730 C PRO A 45 -10.670 -0.957 2.631 1.00 61.14 C ATOM 731 O PRO A 45 -11.698 -0.371 2.283 1.00 25.11 O ATOM 732 CB PRO A 45 -10.837 -3.274 1.674 1.00 24.31 C ATOM 733 CG PRO A 45 -12.262 -3.710 1.654 1.00 11.20 C ATOM 734 CD PRO A 45 -12.659 -3.868 3.091 1.00 2.32 C ATOM 0 HA PRO A 45 -9.753 -2.627 3.494 1.00 64.54 H new ATOM 0 HB2 PRO A 45 -10.595 -2.679 0.793 1.00 24.31 H new ATOM 0 HB3 PRO A 45 -10.163 -4.131 1.675 1.00 24.31 H new ATOM 0 HG2 PRO A 45 -12.890 -2.973 1.153 1.00 11.20 H new ATOM 0 HG3 PRO A 45 -12.377 -4.648 1.111 1.00 11.20 H new ATOM 0 HD2 PRO A 45 -13.726 -3.699 3.236 1.00 2.32 H new ATOM 0 HD3 PRO A 45 -12.441 -4.869 3.463 1.00 2.32 H new ATOM 742 N ARG A 46 -9.497 -0.352 2.751 1.00 73.42 N ATOM 743 CA ARG A 46 -9.319 1.062 2.461 1.00 35.01 C ATOM 744 C ARG A 46 -7.936 1.259 1.837 1.00 44.32 C ATOM 745 O ARG A 46 -6.986 0.571 2.208 1.00 21.23 O ATOM 746 CB ARG A 46 -9.469 1.864 3.763 1.00 62.22 C ATOM 747 CG ARG A 46 -9.860 3.327 3.582 1.00 61.11 C ATOM 748 CD ARG A 46 -8.679 4.188 3.175 1.00 25.51 C ATOM 749 NE ARG A 46 -9.004 5.616 3.165 1.00 41.45 N ATOM 750 CZ ARG A 46 -8.116 6.571 2.882 1.00 53.25 C ATOM 751 NH1 ARG A 46 -6.839 6.258 2.704 1.00 51.22 N ATOM 752 NH2 ARG A 46 -8.496 7.845 2.829 1.00 54.42 N ATOM 0 H ARG A 46 -8.645 -0.826 3.051 1.00 73.42 H new ATOM 0 HA ARG A 46 -10.072 1.416 1.757 1.00 35.01 H new ATOM 0 HB2 ARG A 46 -10.220 1.378 4.386 1.00 62.22 H new ATOM 0 HB3 ARG A 46 -8.526 1.821 4.308 1.00 62.22 H new ATOM 0 HG2 ARG A 46 -10.641 3.402 2.825 1.00 61.11 H new ATOM 0 HG3 ARG A 46 -10.281 3.707 4.513 1.00 61.11 H new ATOM 0 HD2 ARG A 46 -7.851 4.012 3.862 1.00 25.51 H new ATOM 0 HD3 ARG A 46 -8.340 3.889 2.183 1.00 25.51 H new ATOM 0 HE ARG A 46 -9.960 5.895 3.386 1.00 41.45 H new ATOM 0 HH11 ARG A 46 -6.536 5.287 2.783 1.00 51.22 H new ATOM 0 HH12 ARG A 46 -6.160 6.988 2.488 1.00 51.22 H new ATOM 0 HH21 ARG A 46 -9.469 8.095 3.005 1.00 54.42 H new ATOM 0 HH22 ARG A 46 -7.814 8.572 2.612 1.00 54.42 H new ATOM 766 N ILE A 47 -7.826 2.167 0.875 1.00 52.41 N ATOM 767 CA ILE A 47 -6.564 2.374 0.177 1.00 2.31 C ATOM 768 C ILE A 47 -6.278 3.869 -0.001 1.00 45.11 C ATOM 769 O ILE A 47 -7.188 4.660 -0.269 1.00 44.30 O ATOM 770 CB ILE A 47 -6.566 1.662 -1.203 1.00 13.22 C ATOM 771 CG1 ILE A 47 -5.182 1.742 -1.856 1.00 30.20 C ATOM 772 CG2 ILE A 47 -7.629 2.254 -2.123 1.00 23.45 C ATOM 773 CD1 ILE A 47 -5.106 1.076 -3.215 1.00 22.40 C ATOM 0 H ILE A 47 -8.589 2.767 0.562 1.00 52.41 H new ATOM 0 HA ILE A 47 -5.773 1.938 0.788 1.00 2.31 H new ATOM 0 HB ILE A 47 -6.808 0.612 -1.039 1.00 13.22 H new ATOM 0 HG12 ILE A 47 -4.900 2.790 -1.959 1.00 30.20 H new ATOM 0 HG13 ILE A 47 -4.451 1.279 -1.194 1.00 30.20 H new ATOM 0 HG21 ILE A 47 -7.609 1.737 -3.082 1.00 23.45 H new ATOM 0 HG22 ILE A 47 -8.612 2.135 -1.667 1.00 23.45 H new ATOM 0 HG23 ILE A 47 -7.427 3.314 -2.278 1.00 23.45 H new ATOM 0 HD11 ILE A 47 -4.096 1.175 -3.612 1.00 22.40 H new ATOM 0 HD12 ILE A 47 -5.356 0.020 -3.117 1.00 22.40 H new ATOM 0 HD13 ILE A 47 -5.811 1.554 -3.894 1.00 22.40 H new ATOM 785 N GLY A 48 -5.018 4.254 0.165 1.00 1.32 N ATOM 786 CA GLY A 48 -4.642 5.648 0.034 1.00 74.52 C ATOM 787 C GLY A 48 -3.436 5.836 -0.864 1.00 2.45 C ATOM 788 O GLY A 48 -2.314 5.511 -0.480 1.00 33.00 O ATOM 0 H GLY A 48 -4.248 3.623 0.389 1.00 1.32 H new ATOM 0 HA2 GLY A 48 -5.483 6.213 -0.368 1.00 74.52 H new ATOM 0 HA3 GLY A 48 -4.425 6.058 1.020 1.00 74.52 H new ATOM 792 N LEU A 49 -3.664 6.344 -2.067 1.00 40.45 N ATOM 793 CA LEU A 49 -2.576 6.611 -3.001 1.00 32.23 C ATOM 794 C LEU A 49 -1.846 7.895 -2.621 1.00 74.55 C ATOM 795 O LEU A 49 -2.450 8.964 -2.527 1.00 62.42 O ATOM 796 CB LEU A 49 -3.105 6.722 -4.434 1.00 23.21 C ATOM 797 CG LEU A 49 -2.039 6.993 -5.500 1.00 31.22 C ATOM 798 CD1 LEU A 49 -1.065 5.831 -5.594 1.00 54.44 C ATOM 799 CD2 LEU A 49 -2.689 7.256 -6.848 1.00 40.23 C ATOM 0 H LEU A 49 -4.591 6.580 -2.420 1.00 40.45 H new ATOM 0 HA LEU A 49 -1.877 5.776 -2.948 1.00 32.23 H new ATOM 0 HB2 LEU A 49 -3.622 5.797 -4.687 1.00 23.21 H new ATOM 0 HB3 LEU A 49 -3.845 7.521 -4.471 1.00 23.21 H new ATOM 0 HG LEU A 49 -1.481 7.882 -5.207 1.00 31.22 H new ATOM 0 HD11 LEU A 49 -0.316 6.044 -6.357 1.00 54.44 H new ATOM 0 HD12 LEU A 49 -0.572 5.690 -4.632 1.00 54.44 H new ATOM 0 HD13 LEU A 49 -1.606 4.923 -5.861 1.00 54.44 H new ATOM 0 HD21 LEU A 49 -1.917 7.447 -7.593 1.00 40.23 H new ATOM 0 HD22 LEU A 49 -3.274 6.386 -7.146 1.00 40.23 H new ATOM 0 HD23 LEU A 49 -3.343 8.125 -6.773 1.00 40.23 H new ATOM 811 N THR A 50 -0.549 7.779 -2.401 1.00 31.33 N ATOM 812 CA THR A 50 0.274 8.926 -2.072 1.00 14.44 C ATOM 813 C THR A 50 0.915 9.492 -3.335 1.00 10.03 C ATOM 814 O THR A 50 1.791 8.867 -3.938 1.00 10.55 O ATOM 815 CB THR A 50 1.366 8.540 -1.060 1.00 44.15 C ATOM 816 OG1 THR A 50 0.765 7.886 0.065 1.00 71.32 O ATOM 817 CG2 THR A 50 2.136 9.763 -0.585 1.00 74.22 C ATOM 0 H THR A 50 -0.041 6.895 -2.445 1.00 31.33 H new ATOM 0 HA THR A 50 -0.364 9.687 -1.622 1.00 14.44 H new ATOM 0 HB THR A 50 2.067 7.867 -1.554 1.00 44.15 H new ATOM 0 HG1 THR A 50 1.461 7.638 0.709 1.00 71.32 H new ATOM 0 HG21 THR A 50 2.900 9.457 0.129 1.00 74.22 H new ATOM 0 HG22 THR A 50 2.610 10.248 -1.438 1.00 74.22 H new ATOM 0 HG23 THR A 50 1.450 10.461 -0.105 1.00 74.22 H new ATOM 825 N VAL A 51 0.455 10.663 -3.743 1.00 3.03 N ATOM 826 CA VAL A 51 0.961 11.306 -4.940 1.00 70.53 C ATOM 827 C VAL A 51 1.044 12.817 -4.725 1.00 44.32 C ATOM 828 O VAL A 51 0.221 13.398 -4.012 1.00 14.14 O ATOM 829 CB VAL A 51 0.074 10.976 -6.166 1.00 14.41 C ATOM 830 CG1 VAL A 51 -1.317 11.575 -6.021 1.00 63.22 C ATOM 831 CG2 VAL A 51 0.732 11.435 -7.458 1.00 53.14 C ATOM 0 H VAL A 51 -0.272 11.189 -3.258 1.00 3.03 H new ATOM 0 HA VAL A 51 1.961 10.923 -5.141 1.00 70.53 H new ATOM 0 HB VAL A 51 -0.035 9.892 -6.211 1.00 14.41 H new ATOM 0 HG11 VAL A 51 -1.914 11.325 -6.898 1.00 63.22 H new ATOM 0 HG12 VAL A 51 -1.796 11.171 -5.129 1.00 63.22 H new ATOM 0 HG13 VAL A 51 -1.239 12.659 -5.932 1.00 63.22 H new ATOM 0 HG21 VAL A 51 0.087 11.190 -8.302 1.00 53.14 H new ATOM 0 HG22 VAL A 51 0.890 12.513 -7.423 1.00 53.14 H new ATOM 0 HG23 VAL A 51 1.691 10.931 -7.577 1.00 53.14 H new ATOM 841 N ALA A 52 2.047 13.444 -5.322 1.00 71.23 N ATOM 842 CA ALA A 52 2.277 14.868 -5.149 1.00 4.23 C ATOM 843 C ALA A 52 2.624 15.519 -6.484 1.00 15.13 C ATOM 844 O ALA A 52 2.618 14.864 -7.523 1.00 74.24 O ATOM 845 CB ALA A 52 3.391 15.099 -4.138 1.00 61.31 C ATOM 0 H ALA A 52 2.719 12.983 -5.935 1.00 71.23 H new ATOM 0 HA ALA A 52 1.363 15.326 -4.772 1.00 4.23 H new ATOM 0 HB1 ALA A 52 3.555 16.170 -4.016 1.00 61.31 H new ATOM 0 HB2 ALA A 52 3.109 14.664 -3.180 1.00 61.31 H new ATOM 0 HB3 ALA A 52 4.308 14.629 -4.494 1.00 61.31 H new ATOM 851 N LYS A 53 2.954 16.803 -6.444 1.00 23.43 N ATOM 852 CA LYS A 53 3.271 17.558 -7.652 1.00 65.11 C ATOM 853 C LYS A 53 4.731 17.335 -8.068 1.00 53.02 C ATOM 854 O LYS A 53 5.270 18.058 -8.905 1.00 11.02 O ATOM 855 CB LYS A 53 3.016 19.048 -7.399 1.00 74.31 C ATOM 856 CG LYS A 53 2.913 19.884 -8.666 1.00 0.21 C ATOM 857 CD LYS A 53 2.815 21.379 -8.369 1.00 0.23 C ATOM 858 CE LYS A 53 1.507 21.765 -7.675 1.00 72.51 C ATOM 859 NZ LYS A 53 1.450 21.318 -6.256 1.00 53.53 N ATOM 0 H LYS A 53 3.010 17.347 -5.583 1.00 23.43 H new ATOM 0 HA LYS A 53 2.632 17.210 -8.464 1.00 65.11 H new ATOM 0 HB2 LYS A 53 2.093 19.156 -6.829 1.00 74.31 H new ATOM 0 HB3 LYS A 53 3.821 19.444 -6.780 1.00 74.31 H new ATOM 0 HG2 LYS A 53 3.784 19.697 -9.294 1.00 0.21 H new ATOM 0 HG3 LYS A 53 2.037 19.571 -9.235 1.00 0.21 H new ATOM 0 HD2 LYS A 53 3.655 21.675 -7.740 1.00 0.23 H new ATOM 0 HD3 LYS A 53 2.903 21.936 -9.302 1.00 0.23 H new ATOM 0 HE2 LYS A 53 1.386 22.848 -7.715 1.00 72.51 H new ATOM 0 HE3 LYS A 53 0.670 21.331 -8.221 1.00 72.51 H new ATOM 0 HZ1 LYS A 53 1.041 22.074 -5.670 1.00 53.53 H new ATOM 0 HZ2 LYS A 53 0.859 20.465 -6.184 1.00 53.53 H new ATOM 0 HZ3 LYS A 53 2.411 21.102 -5.921 1.00 53.53 H new ATOM 873 N LYS A 54 5.368 16.328 -7.486 1.00 22.23 N ATOM 874 CA LYS A 54 6.773 16.061 -7.770 1.00 10.30 C ATOM 875 C LYS A 54 6.964 14.718 -8.475 1.00 42.10 C ATOM 876 O LYS A 54 7.886 14.558 -9.272 1.00 14.14 O ATOM 877 CB LYS A 54 7.604 16.097 -6.482 1.00 25.43 C ATOM 878 CG LYS A 54 7.139 15.112 -5.423 1.00 42.13 C ATOM 879 CD LYS A 54 8.097 15.054 -4.243 1.00 63.35 C ATOM 880 CE LYS A 54 8.165 16.376 -3.488 1.00 44.31 C ATOM 881 NZ LYS A 54 9.083 16.292 -2.322 1.00 2.14 N ATOM 0 H LYS A 54 4.939 15.686 -6.819 1.00 22.23 H new ATOM 0 HA LYS A 54 7.120 16.847 -8.441 1.00 10.30 H new ATOM 0 HB2 LYS A 54 8.645 15.888 -6.727 1.00 25.43 H new ATOM 0 HB3 LYS A 54 7.570 17.104 -6.067 1.00 25.43 H new ATOM 0 HG2 LYS A 54 6.147 15.398 -5.072 1.00 42.13 H new ATOM 0 HG3 LYS A 54 7.047 14.120 -5.865 1.00 42.13 H new ATOM 0 HD2 LYS A 54 7.782 14.264 -3.561 1.00 63.35 H new ATOM 0 HD3 LYS A 54 9.093 14.790 -4.599 1.00 63.35 H new ATOM 0 HE2 LYS A 54 8.502 17.164 -4.162 1.00 44.31 H new ATOM 0 HE3 LYS A 54 7.167 16.653 -3.147 1.00 44.31 H new ATOM 0 HZ1 LYS A 54 9.105 17.209 -1.831 1.00 2.14 H new ATOM 0 HZ2 LYS A 54 8.747 15.557 -1.668 1.00 2.14 H new ATOM 0 HZ3 LYS A 54 10.040 16.052 -2.650 1.00 2.14 H new ATOM 895 N ASN A 55 6.092 13.760 -8.193 1.00 12.34 N ATOM 896 CA ASN A 55 6.251 12.412 -8.731 1.00 33.01 C ATOM 897 C ASN A 55 5.364 12.192 -9.953 1.00 54.15 C ATOM 898 O ASN A 55 5.765 11.517 -10.903 1.00 14.22 O ATOM 899 CB ASN A 55 5.967 11.349 -7.655 1.00 34.33 C ATOM 900 CG ASN A 55 4.563 11.428 -7.079 1.00 54.15 C ATOM 901 OD1 ASN A 55 3.959 12.494 -7.024 1.00 65.11 O ATOM 902 ND2 ASN A 55 4.040 10.302 -6.624 1.00 23.11 N ATOM 0 H ASN A 55 5.272 13.887 -7.599 1.00 12.34 H new ATOM 0 HA ASN A 55 7.289 12.307 -9.048 1.00 33.01 H new ATOM 0 HB2 ASN A 55 6.119 10.359 -8.085 1.00 34.33 H new ATOM 0 HB3 ASN A 55 6.689 11.460 -6.846 1.00 34.33 H new ATOM 0 HD21 ASN A 55 3.107 10.303 -6.212 1.00 23.11 H new ATOM 0 HD22 ASN A 55 4.570 9.432 -6.685 1.00 23.11 H new ATOM 909 N VAL A 56 4.164 12.760 -9.928 1.00 64.31 N ATOM 910 CA VAL A 56 3.252 12.675 -11.060 1.00 22.41 C ATOM 911 C VAL A 56 2.740 14.064 -11.421 1.00 35.20 C ATOM 912 O VAL A 56 1.853 14.601 -10.762 1.00 71.44 O ATOM 913 CB VAL A 56 2.053 11.739 -10.777 1.00 14.42 C ATOM 914 CG1 VAL A 56 1.107 11.697 -11.971 1.00 3.22 C ATOM 915 CG2 VAL A 56 2.532 10.336 -10.429 1.00 64.33 C ATOM 0 H VAL A 56 3.800 13.286 -9.133 1.00 64.31 H new ATOM 0 HA VAL A 56 3.812 12.254 -11.895 1.00 22.41 H new ATOM 0 HB VAL A 56 1.509 12.138 -9.921 1.00 14.42 H new ATOM 0 HG11 VAL A 56 0.271 11.033 -11.750 1.00 3.22 H new ATOM 0 HG12 VAL A 56 0.730 12.700 -12.172 1.00 3.22 H new ATOM 0 HG13 VAL A 56 1.642 11.328 -12.846 1.00 3.22 H new ATOM 0 HG21 VAL A 56 1.672 9.696 -10.234 1.00 64.33 H new ATOM 0 HG22 VAL A 56 3.105 9.930 -11.263 1.00 64.33 H new ATOM 0 HG23 VAL A 56 3.163 10.377 -9.541 1.00 64.33 H new ATOM 925 N ARG A 57 3.318 14.647 -12.460 1.00 32.01 N ATOM 926 CA ARG A 57 2.949 15.990 -12.881 1.00 3.14 C ATOM 927 C ARG A 57 2.041 15.953 -14.107 1.00 12.42 C ATOM 928 O ARG A 57 1.802 16.975 -14.751 1.00 63.13 O ATOM 929 CB ARG A 57 4.207 16.814 -13.166 1.00 51.12 C ATOM 930 CG ARG A 57 5.017 17.126 -11.917 1.00 4.13 C ATOM 931 CD ARG A 57 6.285 17.899 -12.240 1.00 31.11 C ATOM 932 NE ARG A 57 7.319 17.050 -12.832 1.00 33.03 N ATOM 933 CZ ARG A 57 8.033 17.383 -13.905 1.00 31.01 C ATOM 934 NH1 ARG A 57 7.773 18.510 -14.555 1.00 42.23 N ATOM 935 NH2 ARG A 57 8.999 16.578 -14.334 1.00 24.22 N ATOM 0 H ARG A 57 4.045 14.211 -13.027 1.00 32.01 H new ATOM 0 HA ARG A 57 2.393 16.463 -12.071 1.00 3.14 H new ATOM 0 HB2 ARG A 57 4.836 16.272 -13.872 1.00 51.12 H new ATOM 0 HB3 ARG A 57 3.919 17.749 -13.647 1.00 51.12 H new ATOM 0 HG2 ARG A 57 4.406 17.704 -11.224 1.00 4.13 H new ATOM 0 HG3 ARG A 57 5.278 16.196 -11.412 1.00 4.13 H new ATOM 0 HD2 ARG A 57 6.047 18.711 -12.927 1.00 31.11 H new ATOM 0 HD3 ARG A 57 6.671 18.356 -11.329 1.00 31.11 H new ATOM 0 HE ARG A 57 7.504 16.147 -12.395 1.00 33.03 H new ATOM 0 HH11 ARG A 57 7.025 19.124 -14.233 1.00 42.23 H new ATOM 0 HH12 ARG A 57 8.322 18.763 -15.377 1.00 42.23 H new ATOM 0 HH21 ARG A 57 9.193 15.706 -13.841 1.00 24.22 H new ATOM 0 HH22 ARG A 57 9.547 16.832 -15.156 1.00 24.22 H new ATOM 949 N ARG A 58 1.519 14.773 -14.410 1.00 70.51 N ATOM 950 CA ARG A 58 0.613 14.604 -15.538 1.00 63.15 C ATOM 951 C ARG A 58 -0.788 14.263 -15.039 1.00 22.32 C ATOM 952 O ARG A 58 -0.978 13.295 -14.301 1.00 3.01 O ATOM 953 CB ARG A 58 1.137 13.521 -16.484 1.00 31.22 C ATOM 954 CG ARG A 58 2.468 13.879 -17.131 1.00 61.12 C ATOM 955 CD ARG A 58 2.972 12.772 -18.044 1.00 22.23 C ATOM 956 NE ARG A 58 4.257 13.112 -18.662 1.00 44.43 N ATOM 957 CZ ARG A 58 5.156 12.213 -19.068 1.00 3.32 C ATOM 958 NH1 ARG A 58 4.915 10.915 -18.930 1.00 12.04 N ATOM 959 NH2 ARG A 58 6.301 12.610 -19.610 1.00 2.01 N ATOM 0 H ARG A 58 1.708 13.916 -13.889 1.00 70.51 H new ATOM 0 HA ARG A 58 0.560 15.540 -16.093 1.00 63.15 H new ATOM 0 HB2 ARG A 58 1.249 12.588 -15.931 1.00 31.22 H new ATOM 0 HB3 ARG A 58 0.398 13.342 -17.265 1.00 31.22 H new ATOM 0 HG2 ARG A 58 2.357 14.800 -17.704 1.00 61.12 H new ATOM 0 HG3 ARG A 58 3.208 14.074 -16.355 1.00 61.12 H new ATOM 0 HD2 ARG A 58 3.078 11.850 -17.472 1.00 22.23 H new ATOM 0 HD3 ARG A 58 2.234 12.581 -18.823 1.00 22.23 H new ATOM 0 HE ARG A 58 4.478 14.099 -18.790 1.00 44.43 H new ATOM 0 HH11 ARG A 58 4.039 10.600 -18.512 1.00 12.04 H new ATOM 0 HH12 ARG A 58 5.605 10.232 -19.242 1.00 12.04 H new ATOM 0 HH21 ARG A 58 6.496 13.605 -19.717 1.00 2.01 H new ATOM 0 HH22 ARG A 58 6.985 11.920 -19.919 1.00 2.01 H new ATOM 973 N ALA A 59 -1.766 15.062 -15.454 1.00 55.05 N ATOM 974 CA ALA A 59 -3.116 14.982 -14.905 1.00 73.11 C ATOM 975 C ALA A 59 -3.869 13.733 -15.367 1.00 33.12 C ATOM 976 O ALA A 59 -4.664 13.174 -14.608 1.00 64.15 O ATOM 977 CB ALA A 59 -3.898 16.239 -15.248 1.00 53.15 C ATOM 0 H ALA A 59 -1.648 15.776 -16.173 1.00 55.05 H new ATOM 0 HA ALA A 59 -3.018 14.903 -13.822 1.00 73.11 H new ATOM 0 HB1 ALA A 59 -4.903 16.167 -14.833 1.00 53.15 H new ATOM 0 HB2 ALA A 59 -3.393 17.108 -14.827 1.00 53.15 H new ATOM 0 HB3 ALA A 59 -3.960 16.345 -16.331 1.00 53.15 H new ATOM 983 N HIS A 60 -3.627 13.291 -16.600 1.00 71.04 N ATOM 984 CA HIS A 60 -4.281 12.083 -17.114 1.00 63.10 C ATOM 985 C HIS A 60 -3.754 10.858 -16.385 1.00 20.33 C ATOM 986 O HIS A 60 -4.516 9.995 -15.950 1.00 73.21 O ATOM 987 CB HIS A 60 -4.039 11.909 -18.617 1.00 63.12 C ATOM 988 CG HIS A 60 -4.698 12.936 -19.480 1.00 13.52 C ATOM 989 ND1 HIS A 60 -4.016 13.653 -20.437 1.00 12.13 N ATOM 990 CD2 HIS A 60 -5.984 13.344 -19.554 1.00 4.30 C ATOM 991 CE1 HIS A 60 -4.851 14.462 -21.060 1.00 43.03 C ATOM 992 NE2 HIS A 60 -6.054 14.292 -20.545 1.00 41.05 N ATOM 0 H HIS A 60 -2.991 13.743 -17.257 1.00 71.04 H new ATOM 0 HA HIS A 60 -5.352 12.191 -16.944 1.00 63.10 H new ATOM 0 HB2 HIS A 60 -2.965 11.933 -18.803 1.00 63.12 H new ATOM 0 HB3 HIS A 60 -4.393 10.922 -18.916 1.00 63.12 H new ATOM 0 HD2 HIS A 60 -6.804 12.990 -18.947 1.00 4.30 H new ATOM 0 HE1 HIS A 60 -4.594 15.146 -21.855 1.00 43.03 H new ATOM 0 HE2 HIS A 60 -6.899 14.785 -20.836 1.00 41.05 H new ATOM 1001 N GLU A 61 -2.435 10.805 -16.254 1.00 25.24 N ATOM 1002 CA GLU A 61 -1.748 9.705 -15.590 1.00 54.40 C ATOM 1003 C GLU A 61 -2.222 9.562 -14.150 1.00 2.10 C ATOM 1004 O GLU A 61 -2.302 8.455 -13.623 1.00 30.03 O ATOM 1005 CB GLU A 61 -0.234 9.936 -15.632 1.00 62.35 C ATOM 1006 CG GLU A 61 0.402 9.672 -16.994 1.00 43.13 C ATOM 1007 CD GLU A 61 -0.356 10.292 -18.152 1.00 71.45 C ATOM 1008 OE1 GLU A 61 -0.490 11.533 -18.194 1.00 13.04 O ATOM 1009 OE2 GLU A 61 -0.832 9.536 -19.022 1.00 24.13 O ATOM 0 H GLU A 61 -1.808 11.528 -16.607 1.00 25.24 H new ATOM 0 HA GLU A 61 -1.982 8.780 -16.117 1.00 54.40 H new ATOM 0 HB2 GLU A 61 -0.027 10.966 -15.340 1.00 62.35 H new ATOM 0 HB3 GLU A 61 0.241 9.293 -14.891 1.00 62.35 H new ATOM 0 HG2 GLU A 61 1.421 10.059 -16.990 1.00 43.13 H new ATOM 0 HG3 GLU A 61 0.470 8.595 -17.151 1.00 43.13 H new ATOM 1016 N ARG A 62 -2.551 10.691 -13.535 1.00 2.51 N ATOM 1017 CA ARG A 62 -3.119 10.715 -12.190 1.00 61.51 C ATOM 1018 C ARG A 62 -4.294 9.743 -12.068 1.00 41.42 C ATOM 1019 O ARG A 62 -4.389 8.983 -11.104 1.00 54.02 O ATOM 1020 CB ARG A 62 -3.581 12.134 -11.861 1.00 53.22 C ATOM 1021 CG ARG A 62 -4.455 12.242 -10.623 1.00 24.53 C ATOM 1022 CD ARG A 62 -5.032 13.642 -10.486 1.00 64.21 C ATOM 1023 NE ARG A 62 -5.761 14.058 -11.688 1.00 74.22 N ATOM 1024 CZ ARG A 62 -6.651 15.053 -11.716 1.00 2.03 C ATOM 1025 NH1 ARG A 62 -6.970 15.699 -10.598 1.00 53.31 N ATOM 1026 NH2 ARG A 62 -7.240 15.390 -12.861 1.00 61.31 N ATOM 0 H ARG A 62 -2.433 11.614 -13.952 1.00 2.51 H new ATOM 0 HA ARG A 62 -2.350 10.403 -11.483 1.00 61.51 H new ATOM 0 HB2 ARG A 62 -2.703 12.766 -11.727 1.00 53.22 H new ATOM 0 HB3 ARG A 62 -4.131 12.530 -12.714 1.00 53.22 H new ATOM 0 HG2 ARG A 62 -5.265 11.515 -10.680 1.00 24.53 H new ATOM 0 HG3 ARG A 62 -3.869 11.998 -9.737 1.00 24.53 H new ATOM 0 HD2 ARG A 62 -5.702 13.675 -9.627 1.00 64.21 H new ATOM 0 HD3 ARG A 62 -4.226 14.348 -10.289 1.00 64.21 H new ATOM 0 HE ARG A 62 -5.577 13.556 -12.557 1.00 74.22 H new ATOM 0 HH11 ARG A 62 -6.534 15.435 -9.714 1.00 53.31 H new ATOM 0 HH12 ARG A 62 -7.650 16.458 -10.624 1.00 53.31 H new ATOM 0 HH21 ARG A 62 -7.012 14.888 -13.719 1.00 61.31 H new ATOM 0 HH22 ARG A 62 -7.920 16.150 -12.880 1.00 61.31 H new ATOM 1040 N ASN A 63 -5.167 9.751 -13.069 1.00 41.15 N ATOM 1041 CA ASN A 63 -6.364 8.913 -13.051 1.00 74.35 C ATOM 1042 C ASN A 63 -6.090 7.539 -13.649 1.00 3.22 C ATOM 1043 O ASN A 63 -6.986 6.697 -13.733 1.00 72.44 O ATOM 1044 CB ASN A 63 -7.507 9.596 -13.808 1.00 73.23 C ATOM 1045 CG ASN A 63 -8.104 10.760 -13.039 1.00 32.13 C ATOM 1046 OD1 ASN A 63 -8.148 10.752 -11.806 1.00 71.14 O ATOM 1047 ND2 ASN A 63 -8.563 11.774 -13.758 1.00 44.22 N ATOM 0 H ASN A 63 -5.070 10.328 -13.904 1.00 41.15 H new ATOM 0 HA ASN A 63 -6.657 8.777 -12.010 1.00 74.35 H new ATOM 0 HB2 ASN A 63 -7.139 9.952 -14.770 1.00 73.23 H new ATOM 0 HB3 ASN A 63 -8.288 8.865 -14.016 1.00 73.23 H new ATOM 0 HD21 ASN A 63 -8.971 12.585 -13.293 1.00 44.22 H new ATOM 0 HD22 ASN A 63 -8.509 11.743 -14.776 1.00 44.22 H new ATOM 1054 N ARG A 64 -4.851 7.307 -14.062 1.00 33.21 N ATOM 1055 CA ARG A 64 -4.466 6.017 -14.620 1.00 34.52 C ATOM 1056 C ARG A 64 -3.681 5.200 -13.600 1.00 11.43 C ATOM 1057 O ARG A 64 -3.795 3.975 -13.557 1.00 23.34 O ATOM 1058 CB ARG A 64 -3.644 6.185 -15.904 1.00 1.45 C ATOM 1059 CG ARG A 64 -4.404 6.872 -17.026 1.00 0.32 C ATOM 1060 CD ARG A 64 -3.828 6.533 -18.394 1.00 75.21 C ATOM 1061 NE ARG A 64 -2.461 7.025 -18.584 1.00 51.24 N ATOM 1062 CZ ARG A 64 -1.507 6.338 -19.217 1.00 74.02 C ATOM 1063 NH1 ARG A 64 -1.760 5.120 -19.684 1.00 11.52 N ATOM 1064 NH2 ARG A 64 -0.307 6.879 -19.397 1.00 12.51 N ATOM 0 H ARG A 64 -4.097 7.993 -14.022 1.00 33.21 H new ATOM 0 HA ARG A 64 -5.382 5.483 -14.870 1.00 34.52 H new ATOM 0 HB2 ARG A 64 -2.746 6.761 -15.678 1.00 1.45 H new ATOM 0 HB3 ARG A 64 -3.315 5.204 -16.246 1.00 1.45 H new ATOM 0 HG2 ARG A 64 -5.452 6.574 -16.990 1.00 0.32 H new ATOM 0 HG3 ARG A 64 -4.374 7.951 -16.877 1.00 0.32 H new ATOM 0 HD2 ARG A 64 -3.840 5.451 -18.528 1.00 75.21 H new ATOM 0 HD3 ARG A 64 -4.470 6.957 -19.166 1.00 75.21 H new ATOM 0 HE ARG A 64 -2.225 7.945 -18.211 1.00 51.24 H new ATOM 0 HH11 ARG A 64 -2.685 4.708 -19.559 1.00 11.52 H new ATOM 0 HH12 ARG A 64 -1.030 4.597 -20.167 1.00 11.52 H new ATOM 0 HH21 ARG A 64 -0.114 7.819 -19.052 1.00 12.51 H new ATOM 0 HH22 ARG A 64 0.422 6.354 -19.881 1.00 12.51 H new ATOM 1078 N ILE A 65 -2.892 5.882 -12.777 1.00 53.44 N ATOM 1079 CA ILE A 65 -2.084 5.214 -11.761 1.00 13.02 C ATOM 1080 C ILE A 65 -2.971 4.568 -10.701 1.00 71.33 C ATOM 1081 O ILE A 65 -2.735 3.432 -10.285 1.00 75.13 O ATOM 1082 CB ILE A 65 -1.102 6.199 -11.076 1.00 10.52 C ATOM 1083 CG1 ILE A 65 -0.174 6.842 -12.113 1.00 74.54 C ATOM 1084 CG2 ILE A 65 -0.287 5.494 -9.998 1.00 2.42 C ATOM 1085 CD1 ILE A 65 0.607 5.845 -12.941 1.00 12.31 C ATOM 0 H ILE A 65 -2.794 6.897 -12.793 1.00 53.44 H new ATOM 0 HA ILE A 65 -1.506 4.442 -12.269 1.00 13.02 H new ATOM 0 HB ILE A 65 -1.689 6.985 -10.600 1.00 10.52 H new ATOM 0 HG12 ILE A 65 -0.768 7.466 -12.780 1.00 74.54 H new ATOM 0 HG13 ILE A 65 0.527 7.501 -11.600 1.00 74.54 H new ATOM 0 HG21 ILE A 65 0.394 6.206 -9.533 1.00 2.42 H new ATOM 0 HG22 ILE A 65 -0.959 5.087 -9.242 1.00 2.42 H new ATOM 0 HG23 ILE A 65 0.287 4.684 -10.447 1.00 2.42 H new ATOM 0 HD11 ILE A 65 1.240 6.378 -13.651 1.00 12.31 H new ATOM 0 HD12 ILE A 65 1.230 5.236 -12.286 1.00 12.31 H new ATOM 0 HD13 ILE A 65 -0.085 5.202 -13.484 1.00 12.31 H new ATOM 1097 N LYS A 66 -4.017 5.284 -10.296 1.00 74.43 N ATOM 1098 CA LYS A 66 -4.902 4.815 -9.231 1.00 54.32 C ATOM 1099 C LYS A 66 -5.850 3.717 -9.721 1.00 44.00 C ATOM 1100 O LYS A 66 -6.704 3.241 -8.970 1.00 63.42 O ATOM 1101 CB LYS A 66 -5.695 5.986 -8.637 1.00 52.43 C ATOM 1102 CG LYS A 66 -6.597 6.699 -9.635 1.00 41.22 C ATOM 1103 CD LYS A 66 -7.180 7.976 -9.045 1.00 34.22 C ATOM 1104 CE LYS A 66 -8.053 7.691 -7.831 1.00 3.03 C ATOM 1105 NZ LYS A 66 -8.564 8.943 -7.215 1.00 32.33 N ATOM 0 H LYS A 66 -4.273 6.190 -10.688 1.00 74.43 H new ATOM 0 HA LYS A 66 -4.276 4.382 -8.451 1.00 54.32 H new ATOM 0 HB2 LYS A 66 -6.305 5.616 -7.813 1.00 52.43 H new ATOM 0 HB3 LYS A 66 -4.995 6.708 -8.217 1.00 52.43 H new ATOM 0 HG2 LYS A 66 -6.029 6.938 -10.534 1.00 41.22 H new ATOM 0 HG3 LYS A 66 -7.406 6.034 -9.936 1.00 41.22 H new ATOM 0 HD2 LYS A 66 -6.370 8.648 -8.761 1.00 34.22 H new ATOM 0 HD3 LYS A 66 -7.769 8.491 -9.804 1.00 34.22 H new ATOM 0 HE2 LYS A 66 -8.893 7.062 -8.126 1.00 3.03 H new ATOM 0 HE3 LYS A 66 -7.479 7.131 -7.093 1.00 3.03 H new ATOM 0 HZ1 LYS A 66 -9.154 8.709 -6.391 1.00 32.33 H new ATOM 0 HZ2 LYS A 66 -7.763 9.532 -6.911 1.00 32.33 H new ATOM 0 HZ3 LYS A 66 -9.133 9.465 -7.911 1.00 32.33 H new ATOM 1119 N ARG A 67 -5.695 3.316 -10.978 1.00 33.12 N ATOM 1120 CA ARG A 67 -6.457 2.197 -11.516 1.00 25.24 C ATOM 1121 C ARG A 67 -5.858 0.883 -11.032 1.00 14.12 C ATOM 1122 O ARG A 67 -6.522 0.086 -10.371 1.00 31.44 O ATOM 1123 CB ARG A 67 -6.467 2.218 -13.049 1.00 13.01 C ATOM 1124 CG ARG A 67 -7.248 3.372 -13.655 1.00 72.32 C ATOM 1125 CD ARG A 67 -7.224 3.312 -15.177 1.00 30.52 C ATOM 1126 NE ARG A 67 -8.036 4.362 -15.794 1.00 70.13 N ATOM 1127 CZ ARG A 67 -8.378 4.376 -17.088 1.00 24.15 C ATOM 1128 NH1 ARG A 67 -7.972 3.406 -17.900 1.00 40.13 N ATOM 1129 NH2 ARG A 67 -9.133 5.360 -17.566 1.00 50.43 N ATOM 0 H ARG A 67 -5.051 3.748 -11.641 1.00 33.12 H new ATOM 0 HA ARG A 67 -7.484 2.288 -11.163 1.00 25.24 H new ATOM 0 HB2 ARG A 67 -5.438 2.264 -13.406 1.00 13.01 H new ATOM 0 HB3 ARG A 67 -6.889 1.280 -13.411 1.00 13.01 H new ATOM 0 HG2 ARG A 67 -8.279 3.342 -13.303 1.00 72.32 H new ATOM 0 HG3 ARG A 67 -6.824 4.318 -13.319 1.00 72.32 H new ATOM 0 HD2 ARG A 67 -6.195 3.402 -15.524 1.00 30.52 H new ATOM 0 HD3 ARG A 67 -7.587 2.338 -15.504 1.00 30.52 H new ATOM 0 HE ARG A 67 -8.360 5.128 -15.203 1.00 70.13 H new ATOM 0 HH11 ARG A 67 -7.397 2.645 -17.538 1.00 40.13 H new ATOM 0 HH12 ARG A 67 -8.236 3.422 -18.885 1.00 40.13 H new ATOM 0 HH21 ARG A 67 -9.452 6.105 -16.947 1.00 50.43 H new ATOM 0 HH22 ARG A 67 -9.393 5.370 -18.552 1.00 50.43 H new ATOM 1143 N LEU A 68 -4.579 0.692 -11.337 1.00 75.20 N ATOM 1144 CA LEU A 68 -3.887 -0.557 -11.042 1.00 52.54 C ATOM 1145 C LEU A 68 -3.767 -0.765 -9.534 1.00 31.30 C ATOM 1146 O LEU A 68 -3.901 -1.889 -9.044 1.00 24.45 O ATOM 1147 CB LEU A 68 -2.498 -0.548 -11.709 1.00 3.21 C ATOM 1148 CG LEU A 68 -1.751 -1.893 -11.777 1.00 21.10 C ATOM 1149 CD1 LEU A 68 -1.105 -2.245 -10.445 1.00 2.15 C ATOM 1150 CD2 LEU A 68 -2.690 -3.006 -12.224 1.00 4.53 C ATOM 0 H LEU A 68 -3.996 1.394 -11.793 1.00 75.20 H new ATOM 0 HA LEU A 68 -4.465 -1.388 -11.445 1.00 52.54 H new ATOM 0 HB2 LEU A 68 -2.612 -0.171 -12.725 1.00 3.21 H new ATOM 0 HB3 LEU A 68 -1.869 0.163 -11.174 1.00 3.21 H new ATOM 0 HG LEU A 68 -0.954 -1.789 -12.514 1.00 21.10 H new ATOM 0 HD11 LEU A 68 -0.588 -3.200 -10.533 1.00 2.15 H new ATOM 0 HD12 LEU A 68 -0.390 -1.469 -10.171 1.00 2.15 H new ATOM 0 HD13 LEU A 68 -1.874 -2.318 -9.676 1.00 2.15 H new ATOM 0 HD21 LEU A 68 -2.144 -3.948 -12.266 1.00 4.53 H new ATOM 0 HD22 LEU A 68 -3.513 -3.095 -11.514 1.00 4.53 H new ATOM 0 HD23 LEU A 68 -3.087 -2.772 -13.212 1.00 4.53 H new ATOM 1162 N THR A 69 -3.527 0.320 -8.804 1.00 21.14 N ATOM 1163 CA THR A 69 -3.349 0.247 -7.358 1.00 52.14 C ATOM 1164 C THR A 69 -4.572 -0.369 -6.676 1.00 23.45 C ATOM 1165 O THR A 69 -4.451 -1.302 -5.882 1.00 64.03 O ATOM 1166 CB THR A 69 -3.075 1.642 -6.763 1.00 24.30 C ATOM 1167 OG1 THR A 69 -4.090 2.566 -7.178 1.00 5.14 O ATOM 1168 CG2 THR A 69 -1.711 2.160 -7.196 1.00 35.32 C ATOM 0 H THR A 69 -3.451 1.261 -9.191 1.00 21.14 H new ATOM 0 HA THR A 69 -2.487 -0.394 -7.173 1.00 52.14 H new ATOM 0 HB THR A 69 -3.087 1.552 -5.677 1.00 24.30 H new ATOM 0 HG1 THR A 69 -4.104 3.333 -6.568 1.00 5.14 H new ATOM 0 HG21 THR A 69 -1.542 3.146 -6.763 1.00 35.32 H new ATOM 0 HG22 THR A 69 -0.936 1.475 -6.853 1.00 35.32 H new ATOM 0 HG23 THR A 69 -1.677 2.231 -8.283 1.00 35.32 H new ATOM 1176 N ARG A 70 -5.748 0.142 -7.012 1.00 4.03 N ATOM 1177 CA ARG A 70 -6.988 -0.336 -6.416 1.00 41.01 C ATOM 1178 C ARG A 70 -7.377 -1.694 -6.989 1.00 11.33 C ATOM 1179 O ARG A 70 -7.962 -2.526 -6.294 1.00 24.24 O ATOM 1180 CB ARG A 70 -8.108 0.687 -6.634 1.00 41.55 C ATOM 1181 CG ARG A 70 -9.476 0.213 -6.165 1.00 43.04 C ATOM 1182 CD ARG A 70 -10.482 1.352 -6.122 1.00 70.34 C ATOM 1183 NE ARG A 70 -10.520 2.111 -7.374 1.00 12.42 N ATOM 1184 CZ ARG A 70 -11.321 3.158 -7.581 1.00 63.45 C ATOM 1185 NH1 ARG A 70 -12.212 3.506 -6.660 1.00 54.21 N ATOM 1186 NH2 ARG A 70 -11.248 3.839 -8.718 1.00 61.01 N ATOM 0 H ARG A 70 -5.870 0.889 -7.696 1.00 4.03 H new ATOM 0 HA ARG A 70 -6.832 -0.457 -5.344 1.00 41.01 H new ATOM 0 HB2 ARG A 70 -7.853 1.607 -6.108 1.00 41.55 H new ATOM 0 HB3 ARG A 70 -8.163 0.931 -7.695 1.00 41.55 H new ATOM 0 HG2 ARG A 70 -9.839 -0.568 -6.833 1.00 43.04 H new ATOM 0 HG3 ARG A 70 -9.387 -0.231 -5.174 1.00 43.04 H new ATOM 0 HD2 ARG A 70 -11.473 0.950 -5.914 1.00 70.34 H new ATOM 0 HD3 ARG A 70 -10.232 2.023 -5.301 1.00 70.34 H new ATOM 0 HE ARG A 70 -9.899 1.823 -8.130 1.00 12.42 H new ATOM 0 HH11 ARG A 70 -12.285 2.973 -5.793 1.00 54.21 H new ATOM 0 HH12 ARG A 70 -12.824 4.306 -6.819 1.00 54.21 H new ATOM 0 HH21 ARG A 70 -10.578 3.562 -9.436 1.00 61.01 H new ATOM 0 HH22 ARG A 70 -11.861 4.639 -8.874 1.00 61.01 H new ATOM 1200 N GLU A 71 -7.035 -1.922 -8.249 1.00 53.42 N ATOM 1201 CA GLU A 71 -7.364 -3.175 -8.913 1.00 54.44 C ATOM 1202 C GLU A 71 -6.621 -4.341 -8.261 1.00 74.13 C ATOM 1203 O GLU A 71 -7.234 -5.324 -7.842 1.00 2.10 O ATOM 1204 CB GLU A 71 -7.012 -3.096 -10.400 1.00 12.51 C ATOM 1205 CG GLU A 71 -7.601 -4.230 -11.221 1.00 23.22 C ATOM 1206 CD GLU A 71 -9.116 -4.193 -11.259 1.00 52.51 C ATOM 1207 OE1 GLU A 71 -9.757 -4.773 -10.359 1.00 61.22 O ATOM 1208 OE2 GLU A 71 -9.674 -3.592 -12.198 1.00 52.24 O ATOM 0 H GLU A 71 -6.529 -1.255 -8.832 1.00 53.42 H new ATOM 0 HA GLU A 71 -8.436 -3.345 -8.812 1.00 54.44 H new ATOM 0 HB2 GLU A 71 -7.367 -2.146 -10.800 1.00 12.51 H new ATOM 0 HB3 GLU A 71 -5.928 -3.103 -10.510 1.00 12.51 H new ATOM 0 HG2 GLU A 71 -7.214 -4.177 -12.239 1.00 23.22 H new ATOM 0 HG3 GLU A 71 -7.274 -5.183 -10.805 1.00 23.22 H new ATOM 1215 N SER A 72 -5.304 -4.215 -8.153 1.00 20.15 N ATOM 1216 CA SER A 72 -4.479 -5.265 -7.566 1.00 33.35 C ATOM 1217 C SER A 72 -4.842 -5.482 -6.097 1.00 31.40 C ATOM 1218 O SER A 72 -4.848 -6.616 -5.606 1.00 43.51 O ATOM 1219 CB SER A 72 -2.997 -4.911 -7.709 1.00 51.51 C ATOM 1220 OG SER A 72 -2.738 -3.596 -7.246 1.00 3.53 O ATOM 0 H SER A 72 -4.783 -3.395 -8.465 1.00 20.15 H new ATOM 0 HA SER A 72 -4.669 -6.196 -8.101 1.00 33.35 H new ATOM 0 HB2 SER A 72 -2.394 -5.623 -7.146 1.00 51.51 H new ATOM 0 HB3 SER A 72 -2.699 -4.997 -8.754 1.00 51.51 H new ATOM 0 HG SER A 72 -3.009 -2.949 -7.931 1.00 3.53 H new ATOM 1226 N PHE A 73 -5.156 -4.386 -5.417 1.00 73.21 N ATOM 1227 CA PHE A 73 -5.579 -4.421 -4.024 1.00 5.52 C ATOM 1228 C PHE A 73 -6.862 -5.239 -3.860 1.00 44.12 C ATOM 1229 O PHE A 73 -6.968 -6.080 -2.966 1.00 13.01 O ATOM 1230 CB PHE A 73 -5.790 -2.984 -3.526 1.00 72.32 C ATOM 1231 CG PHE A 73 -6.443 -2.882 -2.178 1.00 0.33 C ATOM 1232 CD1 PHE A 73 -5.783 -3.300 -1.035 1.00 55.24 C ATOM 1233 CD2 PHE A 73 -7.719 -2.357 -2.057 1.00 43.11 C ATOM 1234 CE1 PHE A 73 -6.386 -3.199 0.201 1.00 60.13 C ATOM 1235 CE2 PHE A 73 -8.326 -2.254 -0.822 1.00 45.15 C ATOM 1236 CZ PHE A 73 -7.658 -2.676 0.309 1.00 60.33 C ATOM 0 H PHE A 73 -5.124 -3.448 -5.817 1.00 73.21 H new ATOM 0 HA PHE A 73 -4.803 -4.903 -3.429 1.00 5.52 H new ATOM 0 HB2 PHE A 73 -4.824 -2.481 -3.487 1.00 72.32 H new ATOM 0 HB3 PHE A 73 -6.400 -2.447 -4.253 1.00 72.32 H new ATOM 0 HD1 PHE A 73 -4.786 -3.709 -1.112 1.00 55.24 H new ATOM 0 HD2 PHE A 73 -8.245 -2.024 -2.940 1.00 43.11 H new ATOM 0 HE1 PHE A 73 -5.862 -3.530 1.085 1.00 60.13 H new ATOM 0 HE2 PHE A 73 -9.322 -1.844 -0.741 1.00 45.15 H new ATOM 0 HZ PHE A 73 -8.130 -2.597 1.277 1.00 60.33 H new ATOM 1246 N ARG A 74 -7.816 -5.003 -4.749 1.00 33.25 N ATOM 1247 CA ARG A 74 -9.134 -5.619 -4.660 1.00 61.43 C ATOM 1248 C ARG A 74 -9.094 -7.109 -5.003 1.00 72.33 C ATOM 1249 O ARG A 74 -9.776 -7.915 -4.373 1.00 22.34 O ATOM 1250 CB ARG A 74 -10.104 -4.887 -5.594 1.00 72.31 C ATOM 1251 CG ARG A 74 -11.502 -5.479 -5.624 1.00 50.11 C ATOM 1252 CD ARG A 74 -12.447 -4.634 -6.464 1.00 4.43 C ATOM 1253 NE ARG A 74 -11.984 -4.483 -7.844 1.00 63.01 N ATOM 1254 CZ ARG A 74 -12.691 -3.883 -8.802 1.00 13.25 C ATOM 1255 NH1 ARG A 74 -13.877 -3.347 -8.528 1.00 3.41 N ATOM 1256 NH2 ARG A 74 -12.202 -3.796 -10.031 1.00 14.42 N ATOM 0 H ARG A 74 -7.700 -4.382 -5.550 1.00 33.25 H new ATOM 0 HA ARG A 74 -9.477 -5.534 -3.629 1.00 61.43 H new ATOM 0 HB2 ARG A 74 -10.170 -3.843 -5.286 1.00 72.31 H new ATOM 0 HB3 ARG A 74 -9.695 -4.896 -6.604 1.00 72.31 H new ATOM 0 HG2 ARG A 74 -11.461 -6.491 -6.027 1.00 50.11 H new ATOM 0 HG3 ARG A 74 -11.887 -5.556 -4.607 1.00 50.11 H new ATOM 0 HD2 ARG A 74 -13.436 -5.091 -6.464 1.00 4.43 H new ATOM 0 HD3 ARG A 74 -12.551 -3.649 -6.009 1.00 4.43 H new ATOM 0 HE ARG A 74 -11.067 -4.859 -8.087 1.00 63.01 H new ATOM 0 HH11 ARG A 74 -14.251 -3.393 -7.580 1.00 3.41 H new ATOM 0 HH12 ARG A 74 -14.413 -2.889 -9.266 1.00 3.41 H new ATOM 0 HH21 ARG A 74 -11.285 -4.188 -10.244 1.00 14.42 H new ATOM 0 HH22 ARG A 74 -12.743 -3.337 -10.764 1.00 14.42 H new ATOM 1270 N LEU A 75 -8.284 -7.471 -5.992 1.00 14.44 N ATOM 1271 CA LEU A 75 -8.255 -8.845 -6.502 1.00 23.45 C ATOM 1272 C LEU A 75 -7.754 -9.852 -5.467 1.00 24.24 C ATOM 1273 O LEU A 75 -8.034 -11.047 -5.572 1.00 51.45 O ATOM 1274 CB LEU A 75 -7.398 -8.933 -7.766 1.00 11.10 C ATOM 1275 CG LEU A 75 -8.169 -8.892 -9.090 1.00 42.43 C ATOM 1276 CD1 LEU A 75 -9.080 -10.100 -9.214 1.00 3.14 C ATOM 1277 CD2 LEU A 75 -8.976 -7.614 -9.206 1.00 1.12 C ATOM 0 H LEU A 75 -7.637 -6.835 -6.459 1.00 14.44 H new ATOM 0 HA LEU A 75 -9.286 -9.107 -6.738 1.00 23.45 H new ATOM 0 HB2 LEU A 75 -6.682 -8.111 -7.757 1.00 11.10 H new ATOM 0 HB3 LEU A 75 -6.822 -9.858 -7.730 1.00 11.10 H new ATOM 0 HG LEU A 75 -7.444 -8.916 -9.903 1.00 42.43 H new ATOM 0 HD11 LEU A 75 -9.619 -10.054 -10.160 1.00 3.14 H new ATOM 0 HD12 LEU A 75 -8.483 -11.011 -9.181 1.00 3.14 H new ATOM 0 HD13 LEU A 75 -9.793 -10.104 -8.390 1.00 3.14 H new ATOM 0 HD21 LEU A 75 -9.514 -7.608 -10.154 1.00 1.12 H new ATOM 0 HD22 LEU A 75 -9.689 -7.558 -8.383 1.00 1.12 H new ATOM 0 HD23 LEU A 75 -8.306 -6.755 -9.164 1.00 1.12 H new ATOM 1289 N ARG A 76 -7.014 -9.384 -4.475 1.00 41.24 N ATOM 1290 CA ARG A 76 -6.493 -10.269 -3.441 1.00 33.33 C ATOM 1291 C ARG A 76 -7.151 -9.995 -2.096 1.00 60.24 C ATOM 1292 O ARG A 76 -6.522 -10.142 -1.049 1.00 74.31 O ATOM 1293 CB ARG A 76 -4.971 -10.141 -3.331 1.00 12.32 C ATOM 1294 CG ARG A 76 -4.225 -11.077 -4.268 1.00 62.02 C ATOM 1295 CD ARG A 76 -4.581 -12.532 -3.985 1.00 61.53 C ATOM 1296 NE ARG A 76 -3.830 -13.472 -4.821 1.00 42.02 N ATOM 1297 CZ ARG A 76 -3.896 -14.800 -4.688 1.00 3.52 C ATOM 1298 NH1 ARG A 76 -4.697 -15.340 -3.775 1.00 11.13 N ATOM 1299 NH2 ARG A 76 -3.169 -15.590 -5.469 1.00 45.33 N ATOM 0 H ARG A 76 -6.761 -8.402 -4.362 1.00 41.24 H new ATOM 0 HA ARG A 76 -6.733 -11.292 -3.730 1.00 33.33 H new ATOM 0 HB2 ARG A 76 -4.682 -9.113 -3.548 1.00 12.32 H new ATOM 0 HB3 ARG A 76 -4.668 -10.347 -2.304 1.00 12.32 H new ATOM 0 HG2 ARG A 76 -4.470 -10.834 -5.302 1.00 62.02 H new ATOM 0 HG3 ARG A 76 -3.151 -10.933 -4.152 1.00 62.02 H new ATOM 0 HD2 ARG A 76 -4.387 -12.751 -2.935 1.00 61.53 H new ATOM 0 HD3 ARG A 76 -5.648 -12.679 -4.149 1.00 61.53 H new ATOM 0 HE ARG A 76 -3.222 -13.091 -5.546 1.00 42.02 H new ATOM 0 HH11 ARG A 76 -5.263 -14.740 -3.174 1.00 11.13 H new ATOM 0 HH12 ARG A 76 -4.746 -16.354 -3.675 1.00 11.13 H new ATOM 0 HH21 ARG A 76 -2.556 -15.184 -6.176 1.00 45.33 H new ATOM 0 HH22 ARG A 76 -3.224 -16.603 -5.362 1.00 45.33 H new ATOM 1313 N GLN A 77 -8.433 -9.647 -2.141 1.00 73.20 N ATOM 1314 CA GLN A 77 -9.214 -9.358 -0.936 1.00 63.42 C ATOM 1315 C GLN A 77 -9.267 -10.569 0.003 1.00 34.34 C ATOM 1316 O GLN A 77 -9.443 -10.428 1.212 1.00 20.43 O ATOM 1317 CB GLN A 77 -10.644 -8.924 -1.312 1.00 1.02 C ATOM 1318 CG GLN A 77 -11.562 -10.058 -1.773 1.00 21.04 C ATOM 1319 CD GLN A 77 -11.118 -10.724 -3.065 1.00 62.40 C ATOM 1320 OE1 GLN A 77 -10.364 -11.697 -3.050 1.00 30.03 O ATOM 1321 NE2 GLN A 77 -11.584 -10.209 -4.190 1.00 44.53 N ATOM 0 H GLN A 77 -8.961 -9.557 -3.009 1.00 73.20 H new ATOM 0 HA GLN A 77 -8.717 -8.542 -0.411 1.00 63.42 H new ATOM 0 HB2 GLN A 77 -11.098 -8.436 -0.450 1.00 1.02 H new ATOM 0 HB3 GLN A 77 -10.585 -8.179 -2.105 1.00 1.02 H new ATOM 0 HG2 GLN A 77 -11.615 -10.811 -0.987 1.00 21.04 H new ATOM 0 HG3 GLN A 77 -12.570 -9.665 -1.906 1.00 21.04 H new ATOM 0 HE21 GLN A 77 -12.207 -9.402 -4.162 1.00 44.53 H new ATOM 0 HE22 GLN A 77 -11.321 -10.619 -5.086 1.00 44.53 H new ATOM 1330 N HIS A 78 -9.114 -11.759 -0.567 1.00 21.04 N ATOM 1331 CA HIS A 78 -9.165 -12.999 0.201 1.00 74.13 C ATOM 1332 C HIS A 78 -7.879 -13.178 1.008 1.00 31.11 C ATOM 1333 O HIS A 78 -7.847 -13.912 1.994 1.00 2.04 O ATOM 1334 CB HIS A 78 -9.363 -14.186 -0.756 1.00 5.14 C ATOM 1335 CG HIS A 78 -9.872 -15.442 -0.105 1.00 73.31 C ATOM 1336 ND1 HIS A 78 -11.089 -16.008 -0.427 1.00 64.31 N ATOM 1337 CD2 HIS A 78 -9.319 -16.256 0.826 1.00 32.41 C ATOM 1338 CE1 HIS A 78 -11.259 -17.111 0.278 1.00 33.12 C ATOM 1339 NE2 HIS A 78 -10.202 -17.284 1.045 1.00 62.00 N ATOM 0 H HIS A 78 -8.952 -11.892 -1.565 1.00 21.04 H new ATOM 0 HA HIS A 78 -10.003 -12.955 0.897 1.00 74.13 H new ATOM 0 HB2 HIS A 78 -10.061 -13.891 -1.539 1.00 5.14 H new ATOM 0 HB3 HIS A 78 -8.412 -14.405 -1.242 1.00 5.14 H new ATOM 0 HD2 HIS A 78 -8.361 -16.121 1.307 1.00 32.41 H new ATOM 0 HE1 HIS A 78 -12.120 -17.762 0.233 1.00 33.12 H new ATOM 0 HE2 HIS A 78 -10.062 -18.057 1.696 1.00 62.00 H new ATOM 1348 N GLU A 79 -6.831 -12.483 0.591 1.00 2.21 N ATOM 1349 CA GLU A 79 -5.511 -12.651 1.181 1.00 63.13 C ATOM 1350 C GLU A 79 -5.025 -11.356 1.825 1.00 11.05 C ATOM 1351 O GLU A 79 -3.854 -10.989 1.694 1.00 14.42 O ATOM 1352 CB GLU A 79 -4.518 -13.094 0.105 1.00 64.43 C ATOM 1353 CG GLU A 79 -4.808 -14.470 -0.477 1.00 64.52 C ATOM 1354 CD GLU A 79 -4.664 -15.585 0.544 1.00 52.35 C ATOM 1355 OE1 GLU A 79 -3.576 -15.712 1.140 1.00 63.32 O ATOM 1356 OE2 GLU A 79 -5.628 -16.356 0.737 1.00 4.43 O ATOM 0 H GLU A 79 -6.870 -11.793 -0.159 1.00 2.21 H new ATOM 0 HA GLU A 79 -5.580 -13.413 1.957 1.00 63.13 H new ATOM 0 HB2 GLU A 79 -4.522 -12.361 -0.702 1.00 64.43 H new ATOM 0 HB3 GLU A 79 -3.514 -13.095 0.530 1.00 64.43 H new ATOM 0 HG2 GLU A 79 -5.820 -14.482 -0.881 1.00 64.52 H new ATOM 0 HG3 GLU A 79 -4.130 -14.657 -1.310 1.00 64.52 H new ATOM 1363 N LEU A 80 -5.916 -10.661 2.519 1.00 0.31 N ATOM 1364 CA LEU A 80 -5.533 -9.445 3.223 1.00 10.54 C ATOM 1365 C LEU A 80 -6.468 -9.142 4.388 1.00 41.34 C ATOM 1366 O LEU A 80 -7.660 -9.444 4.339 1.00 12.02 O ATOM 1367 CB LEU A 80 -5.462 -8.244 2.257 1.00 34.25 C ATOM 1368 CG LEU A 80 -6.710 -7.958 1.407 1.00 55.40 C ATOM 1369 CD1 LEU A 80 -7.772 -7.217 2.205 1.00 22.15 C ATOM 1370 CD2 LEU A 80 -6.328 -7.154 0.176 1.00 73.43 C ATOM 0 H LEU A 80 -6.900 -10.915 2.609 1.00 0.31 H new ATOM 0 HA LEU A 80 -4.539 -9.615 3.636 1.00 10.54 H new ATOM 0 HB2 LEU A 80 -5.239 -7.352 2.842 1.00 34.25 H new ATOM 0 HB3 LEU A 80 -4.621 -8.402 1.582 1.00 34.25 H new ATOM 0 HG LEU A 80 -7.131 -8.915 1.099 1.00 55.40 H new ATOM 0 HD11 LEU A 80 -8.640 -7.032 1.572 1.00 22.15 H new ATOM 0 HD12 LEU A 80 -8.070 -7.821 3.062 1.00 22.15 H new ATOM 0 HD13 LEU A 80 -7.368 -6.267 2.554 1.00 22.15 H new ATOM 0 HD21 LEU A 80 -7.219 -6.956 -0.420 1.00 73.43 H new ATOM 0 HD22 LEU A 80 -5.880 -6.209 0.483 1.00 73.43 H new ATOM 0 HD23 LEU A 80 -5.611 -7.719 -0.420 1.00 73.43 H new ATOM 1382 N PRO A 81 -5.913 -8.579 5.475 1.00 10.35 N ATOM 1383 CA PRO A 81 -6.698 -7.998 6.556 1.00 51.11 C ATOM 1384 C PRO A 81 -7.153 -6.587 6.190 1.00 54.42 C ATOM 1385 O PRO A 81 -6.602 -5.968 5.274 1.00 61.43 O ATOM 1386 CB PRO A 81 -5.727 -7.967 7.749 1.00 2.11 C ATOM 1387 CG PRO A 81 -4.448 -8.575 7.261 1.00 73.20 C ATOM 1388 CD PRO A 81 -4.481 -8.493 5.761 1.00 31.12 C ATOM 0 HA PRO A 81 -7.604 -8.565 6.770 1.00 51.11 H new ATOM 0 HB2 PRO A 81 -5.566 -6.946 8.094 1.00 2.11 H new ATOM 0 HB3 PRO A 81 -6.128 -8.529 8.593 1.00 2.11 H new ATOM 0 HG2 PRO A 81 -3.587 -8.039 7.660 1.00 73.20 H new ATOM 0 HG3 PRO A 81 -4.360 -9.610 7.591 1.00 73.20 H new ATOM 0 HD2 PRO A 81 -4.049 -7.562 5.395 1.00 31.12 H new ATOM 0 HD3 PRO A 81 -3.924 -9.307 5.297 1.00 31.12 H new ATOM 1396 N ALA A 82 -8.146 -6.078 6.896 1.00 75.31 N ATOM 1397 CA ALA A 82 -8.740 -4.798 6.549 1.00 61.42 C ATOM 1398 C ALA A 82 -8.016 -3.625 7.206 1.00 35.32 C ATOM 1399 O ALA A 82 -8.281 -3.279 8.363 1.00 1.33 O ATOM 1400 CB ALA A 82 -10.212 -4.787 6.917 1.00 74.33 C ATOM 0 H ALA A 82 -8.558 -6.530 7.712 1.00 75.31 H new ATOM 0 HA ALA A 82 -8.637 -4.673 5.471 1.00 61.42 H new ATOM 0 HB1 ALA A 82 -10.646 -3.823 6.652 1.00 74.33 H new ATOM 0 HB2 ALA A 82 -10.729 -5.579 6.374 1.00 74.33 H new ATOM 0 HB3 ALA A 82 -10.320 -4.952 7.989 1.00 74.33 H new ATOM 1406 N MET A 83 -7.096 -3.025 6.460 1.00 12.12 N ATOM 1407 CA MET A 83 -6.403 -1.813 6.890 1.00 35.14 C ATOM 1408 C MET A 83 -6.465 -0.761 5.792 1.00 65.00 C ATOM 1409 O MET A 83 -7.043 -1.000 4.728 1.00 41.14 O ATOM 1410 CB MET A 83 -4.927 -2.083 7.227 1.00 32.43 C ATOM 1411 CG MET A 83 -4.704 -2.942 8.460 1.00 23.31 C ATOM 1412 SD MET A 83 -4.729 -4.706 8.103 1.00 54.54 S ATOM 1413 CE MET A 83 -3.313 -4.853 7.016 1.00 71.30 C ATOM 0 H MET A 83 -6.809 -3.363 5.541 1.00 12.12 H new ATOM 0 HA MET A 83 -6.905 -1.458 7.790 1.00 35.14 H new ATOM 0 HB2 MET A 83 -4.456 -2.569 6.372 1.00 32.43 H new ATOM 0 HB3 MET A 83 -4.421 -1.128 7.370 1.00 32.43 H new ATOM 0 HG2 MET A 83 -3.746 -2.681 8.909 1.00 23.31 H new ATOM 0 HG3 MET A 83 -5.474 -2.715 9.198 1.00 23.31 H new ATOM 0 HE1 MET A 83 -3.643 -5.187 6.032 1.00 71.30 H new ATOM 0 HE2 MET A 83 -2.822 -3.884 6.925 1.00 71.30 H new ATOM 0 HE3 MET A 83 -2.611 -5.578 7.429 1.00 71.30 H new ATOM 1423 N ASP A 84 -5.883 0.402 6.062 1.00 31.35 N ATOM 1424 CA ASP A 84 -5.710 1.433 5.046 1.00 1.21 C ATOM 1425 C ASP A 84 -4.339 1.279 4.415 1.00 12.43 C ATOM 1426 O ASP A 84 -3.313 1.538 5.049 1.00 63.30 O ATOM 1427 CB ASP A 84 -5.865 2.835 5.647 1.00 34.32 C ATOM 1428 CG ASP A 84 -5.699 3.949 4.621 1.00 24.52 C ATOM 1429 OD1 ASP A 84 -5.807 3.677 3.403 1.00 40.52 O ATOM 1430 OD2 ASP A 84 -5.493 5.110 5.030 1.00 52.42 O ATOM 0 H ASP A 84 -5.521 0.655 6.981 1.00 31.35 H new ATOM 0 HA ASP A 84 -6.482 1.314 4.286 1.00 1.21 H new ATOM 0 HB2 ASP A 84 -6.849 2.919 6.109 1.00 34.32 H new ATOM 0 HB3 ASP A 84 -5.129 2.967 6.440 1.00 34.32 H new ATOM 1435 N PHE A 85 -4.322 0.807 3.185 1.00 32.43 N ATOM 1436 CA PHE A 85 -3.076 0.552 2.493 1.00 72.43 C ATOM 1437 C PHE A 85 -2.578 1.805 1.797 1.00 11.40 C ATOM 1438 O PHE A 85 -3.066 2.181 0.726 1.00 0.43 O ATOM 1439 CB PHE A 85 -3.234 -0.597 1.495 1.00 71.24 C ATOM 1440 CG PHE A 85 -3.372 -1.944 2.152 1.00 72.23 C ATOM 1441 CD1 PHE A 85 -4.550 -2.308 2.787 1.00 74.35 C ATOM 1442 CD2 PHE A 85 -2.318 -2.845 2.136 1.00 75.14 C ATOM 1443 CE1 PHE A 85 -4.674 -3.545 3.392 1.00 52.22 C ATOM 1444 CE2 PHE A 85 -2.438 -4.082 2.740 1.00 4.30 C ATOM 1445 CZ PHE A 85 -3.619 -4.433 3.367 1.00 60.02 C ATOM 0 H PHE A 85 -5.159 0.592 2.643 1.00 32.43 H new ATOM 0 HA PHE A 85 -2.332 0.258 3.234 1.00 72.43 H new ATOM 0 HB2 PHE A 85 -4.111 -0.412 0.875 1.00 71.24 H new ATOM 0 HB3 PHE A 85 -2.371 -0.612 0.830 1.00 71.24 H new ATOM 0 HD1 PHE A 85 -5.380 -1.617 2.809 1.00 74.35 H new ATOM 0 HD2 PHE A 85 -1.393 -2.577 1.646 1.00 75.14 H new ATOM 0 HE1 PHE A 85 -5.597 -3.816 3.884 1.00 52.22 H new ATOM 0 HE2 PHE A 85 -1.609 -4.774 2.722 1.00 4.30 H new ATOM 0 HZ PHE A 85 -3.715 -5.401 3.836 1.00 60.02 H new ATOM 1455 N VAL A 86 -1.619 2.462 2.429 1.00 53.52 N ATOM 1456 CA VAL A 86 -1.015 3.651 1.866 1.00 21.24 C ATOM 1457 C VAL A 86 -0.002 3.264 0.790 1.00 33.25 C ATOM 1458 O VAL A 86 1.022 2.631 1.064 1.00 34.20 O ATOM 1459 CB VAL A 86 -0.364 4.538 2.957 1.00 52.25 C ATOM 1460 CG1 VAL A 86 0.578 3.733 3.839 1.00 43.20 C ATOM 1461 CG2 VAL A 86 0.362 5.720 2.335 1.00 32.42 C ATOM 0 H VAL A 86 -1.243 2.187 3.337 1.00 53.52 H new ATOM 0 HA VAL A 86 -1.804 4.246 1.406 1.00 21.24 H new ATOM 0 HB VAL A 86 -1.165 4.922 3.588 1.00 52.25 H new ATOM 0 HG11 VAL A 86 1.017 4.386 4.593 1.00 43.20 H new ATOM 0 HG12 VAL A 86 0.023 2.934 4.330 1.00 43.20 H new ATOM 0 HG13 VAL A 86 1.370 3.302 3.227 1.00 43.20 H new ATOM 0 HG21 VAL A 86 0.810 6.327 3.122 1.00 32.42 H new ATOM 0 HG22 VAL A 86 1.143 5.357 1.667 1.00 32.42 H new ATOM 0 HG23 VAL A 86 -0.346 6.325 1.769 1.00 32.42 H new ATOM 1471 N VAL A 87 -0.321 3.619 -0.442 1.00 45.11 N ATOM 1472 CA VAL A 87 0.501 3.262 -1.583 1.00 12.33 C ATOM 1473 C VAL A 87 1.276 4.472 -2.082 1.00 2.03 C ATOM 1474 O VAL A 87 0.695 5.421 -2.605 1.00 34.32 O ATOM 1475 CB VAL A 87 -0.352 2.693 -2.734 1.00 54.33 C ATOM 1476 CG1 VAL A 87 0.524 2.304 -3.913 1.00 25.34 C ATOM 1477 CG2 VAL A 87 -1.164 1.499 -2.256 1.00 62.31 C ATOM 0 H VAL A 87 -1.153 4.160 -0.678 1.00 45.11 H new ATOM 0 HA VAL A 87 1.199 2.493 -1.253 1.00 12.33 H new ATOM 0 HB VAL A 87 -1.041 3.470 -3.064 1.00 54.33 H new ATOM 0 HG11 VAL A 87 -0.099 1.905 -4.713 1.00 25.34 H new ATOM 0 HG12 VAL A 87 1.060 3.182 -4.274 1.00 25.34 H new ATOM 0 HG13 VAL A 87 1.241 1.545 -3.599 1.00 25.34 H new ATOM 0 HG21 VAL A 87 -1.760 1.110 -3.082 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -0.490 0.721 -1.897 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -1.824 1.809 -1.446 1.00 62.31 H new ATOM 1487 N VAL A 88 2.583 4.430 -1.918 1.00 33.41 N ATOM 1488 CA VAL A 88 3.440 5.528 -2.322 1.00 32.31 C ATOM 1489 C VAL A 88 3.985 5.285 -3.722 1.00 1.21 C ATOM 1490 O VAL A 88 4.817 4.398 -3.933 1.00 25.13 O ATOM 1491 CB VAL A 88 4.615 5.722 -1.341 1.00 70.11 C ATOM 1492 CG1 VAL A 88 5.463 6.923 -1.736 1.00 4.12 C ATOM 1493 CG2 VAL A 88 4.102 5.869 0.087 1.00 54.34 C ATOM 0 H VAL A 88 3.079 3.640 -1.504 1.00 33.41 H new ATOM 0 HA VAL A 88 2.834 6.434 -2.316 1.00 32.31 H new ATOM 0 HB VAL A 88 5.247 4.835 -1.389 1.00 70.11 H new ATOM 0 HG11 VAL A 88 6.284 7.037 -1.028 1.00 4.12 H new ATOM 0 HG12 VAL A 88 5.866 6.771 -2.737 1.00 4.12 H new ATOM 0 HG13 VAL A 88 4.847 7.822 -1.726 1.00 4.12 H new ATOM 0 HG21 VAL A 88 4.945 6.005 0.764 1.00 54.34 H new ATOM 0 HG22 VAL A 88 3.443 6.735 0.150 1.00 54.34 H new ATOM 0 HG23 VAL A 88 3.550 4.972 0.370 1.00 54.34 H new ATOM 1503 N ALA A 89 3.498 6.060 -4.675 1.00 61.44 N ATOM 1504 CA ALA A 89 3.946 5.948 -6.051 1.00 2.13 C ATOM 1505 C ALA A 89 5.210 6.767 -6.261 1.00 63.41 C ATOM 1506 O ALA A 89 5.226 7.973 -6.028 1.00 22.11 O ATOM 1507 CB ALA A 89 2.848 6.401 -7.004 1.00 74.44 C ATOM 0 H ALA A 89 2.789 6.777 -4.520 1.00 61.44 H new ATOM 0 HA ALA A 89 4.173 4.903 -6.262 1.00 2.13 H new ATOM 0 HB1 ALA A 89 3.199 6.311 -8.032 1.00 74.44 H new ATOM 0 HB2 ALA A 89 1.966 5.776 -6.866 1.00 74.44 H new ATOM 0 HB3 ALA A 89 2.593 7.440 -6.797 1.00 74.44 H new ATOM 1513 N LYS A 90 6.275 6.107 -6.683 1.00 13.44 N ATOM 1514 CA LYS A 90 7.543 6.783 -6.906 1.00 55.25 C ATOM 1515 C LYS A 90 7.570 7.427 -8.283 1.00 44.12 C ATOM 1516 O LYS A 90 6.838 7.013 -9.187 1.00 64.31 O ATOM 1517 CB LYS A 90 8.709 5.806 -6.758 1.00 42.30 C ATOM 1518 CG LYS A 90 8.911 5.311 -5.335 1.00 51.44 C ATOM 1519 CD LYS A 90 9.242 6.458 -4.395 1.00 53.12 C ATOM 1520 CE LYS A 90 9.514 5.974 -2.980 1.00 1.11 C ATOM 1521 NZ LYS A 90 9.890 7.094 -2.078 1.00 44.14 N ATOM 0 H LYS A 90 6.288 5.106 -6.878 1.00 13.44 H new ATOM 0 HA LYS A 90 7.648 7.564 -6.153 1.00 55.25 H new ATOM 0 HB2 LYS A 90 8.540 4.950 -7.411 1.00 42.30 H new ATOM 0 HB3 LYS A 90 9.624 6.291 -7.099 1.00 42.30 H new ATOM 0 HG2 LYS A 90 8.009 4.805 -4.992 1.00 51.44 H new ATOM 0 HG3 LYS A 90 9.716 4.576 -5.314 1.00 51.44 H new ATOM 0 HD2 LYS A 90 10.115 6.993 -4.769 1.00 53.12 H new ATOM 0 HD3 LYS A 90 8.414 7.167 -4.383 1.00 53.12 H new ATOM 0 HE2 LYS A 90 8.627 5.474 -2.590 1.00 1.11 H new ATOM 0 HE3 LYS A 90 10.315 5.235 -2.996 1.00 1.11 H new ATOM 0 HZ1 LYS A 90 10.068 6.725 -1.122 1.00 44.14 H new ATOM 0 HZ2 LYS A 90 10.750 7.555 -2.437 1.00 44.14 H new ATOM 0 HZ3 LYS A 90 9.115 7.787 -2.043 1.00 44.14 H new ATOM 1535 N LYS A 91 8.412 8.442 -8.434 1.00 13.53 N ATOM 1536 CA LYS A 91 8.541 9.152 -9.699 1.00 63.12 C ATOM 1537 C LYS A 91 8.925 8.190 -10.819 1.00 41.45 C ATOM 1538 O LYS A 91 9.776 7.317 -10.638 1.00 43.41 O ATOM 1539 CB LYS A 91 9.576 10.276 -9.580 1.00 43.20 C ATOM 1540 CG LYS A 91 9.898 10.948 -10.903 1.00 11.24 C ATOM 1541 CD LYS A 91 10.871 12.099 -10.723 1.00 1.12 C ATOM 1542 CE LYS A 91 11.410 12.585 -12.058 1.00 23.13 C ATOM 1543 NZ LYS A 91 12.205 11.532 -12.742 1.00 4.21 N ATOM 0 H LYS A 91 9.018 8.793 -7.692 1.00 13.53 H new ATOM 0 HA LYS A 91 7.575 9.595 -9.943 1.00 63.12 H new ATOM 0 HB2 LYS A 91 9.206 11.026 -8.881 1.00 43.20 H new ATOM 0 HB3 LYS A 91 10.494 9.870 -9.155 1.00 43.20 H new ATOM 0 HG2 LYS A 91 10.323 10.216 -11.590 1.00 11.24 H new ATOM 0 HG3 LYS A 91 8.978 11.316 -11.358 1.00 11.24 H new ATOM 0 HD2 LYS A 91 10.373 12.921 -10.209 1.00 1.12 H new ATOM 0 HD3 LYS A 91 11.699 11.782 -10.089 1.00 1.12 H new ATOM 0 HE2 LYS A 91 10.581 12.889 -12.697 1.00 23.13 H new ATOM 0 HE3 LYS A 91 12.031 13.467 -11.901 1.00 23.13 H new ATOM 0 HZ1 LYS A 91 12.849 11.974 -13.428 1.00 4.21 H new ATOM 0 HZ2 LYS A 91 12.759 11.003 -12.038 1.00 4.21 H new ATOM 0 HZ3 LYS A 91 11.564 10.881 -13.239 1.00 4.21 H new ATOM 1557 N GLY A 92 8.275 8.346 -11.962 1.00 22.22 N ATOM 1558 CA GLY A 92 8.531 7.474 -13.088 1.00 64.21 C ATOM 1559 C GLY A 92 7.352 6.576 -13.381 1.00 74.40 C ATOM 1560 O GLY A 92 7.170 6.128 -14.510 1.00 51.50 O ATOM 0 H GLY A 92 7.571 9.065 -12.130 1.00 22.22 H new ATOM 0 HA2 GLY A 92 8.758 8.075 -13.969 1.00 64.21 H new ATOM 0 HA3 GLY A 92 9.411 6.864 -12.883 1.00 64.21 H new ATOM 1564 N VAL A 93 6.533 6.333 -12.359 1.00 24.30 N ATOM 1565 CA VAL A 93 5.372 5.454 -12.487 1.00 74.45 C ATOM 1566 C VAL A 93 4.405 5.960 -13.562 1.00 72.43 C ATOM 1567 O VAL A 93 3.730 5.176 -14.227 1.00 44.40 O ATOM 1568 CB VAL A 93 4.623 5.309 -11.138 1.00 22.51 C ATOM 1569 CG1 VAL A 93 3.940 6.610 -10.737 1.00 25.51 C ATOM 1570 CG2 VAL A 93 3.620 4.167 -11.196 1.00 32.01 C ATOM 0 H VAL A 93 6.653 6.735 -11.429 1.00 24.30 H new ATOM 0 HA VAL A 93 5.746 4.475 -12.786 1.00 74.45 H new ATOM 0 HB VAL A 93 5.363 5.076 -10.373 1.00 22.51 H new ATOM 0 HG11 VAL A 93 3.424 6.472 -9.787 1.00 25.51 H new ATOM 0 HG12 VAL A 93 4.688 7.397 -10.634 1.00 25.51 H new ATOM 0 HG13 VAL A 93 3.219 6.893 -11.503 1.00 25.51 H new ATOM 0 HG21 VAL A 93 3.107 4.085 -10.238 1.00 32.01 H new ATOM 0 HG22 VAL A 93 2.891 4.362 -11.983 1.00 32.01 H new ATOM 0 HG23 VAL A 93 4.142 3.234 -11.409 1.00 32.01 H new ATOM 1580 N ALA A 94 4.371 7.275 -13.750 1.00 22.31 N ATOM 1581 CA ALA A 94 3.452 7.895 -14.697 1.00 64.12 C ATOM 1582 C ALA A 94 4.091 8.037 -16.075 1.00 35.43 C ATOM 1583 O ALA A 94 3.621 8.804 -16.917 1.00 3.35 O ATOM 1584 CB ALA A 94 3.011 9.255 -14.175 1.00 23.05 C ATOM 0 H ALA A 94 4.972 7.935 -13.256 1.00 22.31 H new ATOM 0 HA ALA A 94 2.579 7.250 -14.800 1.00 64.12 H new ATOM 0 HB1 ALA A 94 2.325 9.713 -14.887 1.00 23.05 H new ATOM 0 HB2 ALA A 94 2.509 9.131 -13.215 1.00 23.05 H new ATOM 0 HB3 ALA A 94 3.883 9.896 -14.048 1.00 23.05 H new ATOM 1590 N ASP A 95 5.162 7.293 -16.303 1.00 51.00 N ATOM 1591 CA ASP A 95 5.885 7.366 -17.564 1.00 13.52 C ATOM 1592 C ASP A 95 6.471 5.995 -17.908 1.00 21.04 C ATOM 1593 O ASP A 95 7.531 5.879 -18.522 1.00 61.11 O ATOM 1594 CB ASP A 95 6.988 8.426 -17.454 1.00 31.24 C ATOM 1595 CG ASP A 95 7.630 8.758 -18.784 1.00 42.43 C ATOM 1596 OD1 ASP A 95 6.931 9.303 -19.668 1.00 14.24 O ATOM 1597 OD2 ASP A 95 8.842 8.506 -18.941 1.00 64.33 O ATOM 0 H ASP A 95 5.550 6.631 -15.631 1.00 51.00 H new ATOM 0 HA ASP A 95 5.205 7.653 -18.366 1.00 13.52 H new ATOM 0 HB2 ASP A 95 6.568 9.335 -17.024 1.00 31.24 H new ATOM 0 HB3 ASP A 95 7.755 8.072 -16.765 1.00 31.24 H new ATOM 1602 N LEU A 96 5.759 4.952 -17.515 1.00 25.13 N ATOM 1603 CA LEU A 96 6.212 3.589 -17.745 1.00 53.34 C ATOM 1604 C LEU A 96 5.427 2.932 -18.873 1.00 5.12 C ATOM 1605 O LEU A 96 4.395 3.444 -19.309 1.00 74.02 O ATOM 1606 CB LEU A 96 6.073 2.759 -16.468 1.00 60.04 C ATOM 1607 CG LEU A 96 6.975 3.188 -15.309 1.00 32.31 C ATOM 1608 CD1 LEU A 96 6.697 2.344 -14.078 1.00 23.14 C ATOM 1609 CD2 LEU A 96 8.442 3.085 -15.704 1.00 64.43 C ATOM 0 H LEU A 96 4.862 5.023 -17.034 1.00 25.13 H new ATOM 0 HA LEU A 96 7.262 3.631 -18.034 1.00 53.34 H new ATOM 0 HB2 LEU A 96 5.036 2.804 -16.136 1.00 60.04 H new ATOM 0 HB3 LEU A 96 6.286 1.717 -16.706 1.00 60.04 H new ATOM 0 HG LEU A 96 6.755 4.229 -15.072 1.00 32.31 H new ATOM 0 HD11 LEU A 96 7.348 2.663 -13.264 1.00 23.14 H new ATOM 0 HD12 LEU A 96 5.656 2.467 -13.780 1.00 23.14 H new ATOM 0 HD13 LEU A 96 6.888 1.295 -14.305 1.00 23.14 H new ATOM 0 HD21 LEU A 96 9.067 3.394 -14.866 1.00 64.43 H new ATOM 0 HD22 LEU A 96 8.676 2.054 -15.970 1.00 64.43 H new ATOM 0 HD23 LEU A 96 8.635 3.733 -16.559 1.00 64.43 H new ATOM 1621 N ASP A 97 5.928 1.794 -19.333 1.00 11.14 N ATOM 1622 CA ASP A 97 5.271 1.027 -20.385 1.00 12.00 C ATOM 1623 C ASP A 97 4.028 0.334 -19.835 1.00 65.44 C ATOM 1624 O ASP A 97 3.901 0.148 -18.627 1.00 63.32 O ATOM 1625 CB ASP A 97 6.246 -0.012 -20.955 1.00 30.11 C ATOM 1626 CG ASP A 97 5.666 -0.812 -22.105 1.00 41.34 C ATOM 1627 OD1 ASP A 97 5.055 -1.874 -21.854 1.00 33.42 O ATOM 1628 OD2 ASP A 97 5.821 -0.389 -23.265 1.00 42.44 O ATOM 0 H ASP A 97 6.794 1.378 -18.991 1.00 11.14 H new ATOM 0 HA ASP A 97 4.967 1.706 -21.182 1.00 12.00 H new ATOM 0 HB2 ASP A 97 7.149 0.495 -21.294 1.00 30.11 H new ATOM 0 HB3 ASP A 97 6.543 -0.696 -20.160 1.00 30.11 H new ATOM 1633 N ASN A 98 3.120 -0.056 -20.721 1.00 42.02 N ATOM 1634 CA ASN A 98 1.893 -0.742 -20.321 1.00 1.44 C ATOM 1635 C ASN A 98 2.210 -2.042 -19.574 1.00 13.03 C ATOM 1636 O ASN A 98 1.444 -2.479 -18.721 1.00 61.24 O ATOM 1637 CB ASN A 98 1.025 -1.041 -21.550 1.00 63.34 C ATOM 1638 CG ASN A 98 -0.296 -1.705 -21.193 1.00 44.24 C ATOM 1639 OD1 ASN A 98 -0.393 -2.931 -21.132 1.00 32.52 O ATOM 1640 ND2 ASN A 98 -1.326 -0.903 -20.969 1.00 45.33 N ATOM 0 H ASN A 98 3.209 0.091 -21.726 1.00 42.02 H new ATOM 0 HA ASN A 98 1.342 -0.085 -19.648 1.00 1.44 H new ATOM 0 HB2 ASN A 98 0.826 -0.111 -22.083 1.00 63.34 H new ATOM 0 HB3 ASN A 98 1.579 -1.687 -22.231 1.00 63.34 H new ATOM 0 HD21 ASN A 98 -2.238 -1.297 -20.737 1.00 45.33 H new ATOM 0 HD22 ASN A 98 -1.207 0.108 -21.029 1.00 45.33 H new ATOM 1647 N ARG A 99 3.362 -2.639 -19.878 1.00 24.14 N ATOM 1648 CA ARG A 99 3.767 -3.890 -19.244 1.00 53.22 C ATOM 1649 C ARG A 99 4.042 -3.686 -17.754 1.00 51.11 C ATOM 1650 O ARG A 99 4.037 -4.642 -16.982 1.00 53.00 O ATOM 1651 CB ARG A 99 5.016 -4.464 -19.921 1.00 4.51 C ATOM 1652 CG ARG A 99 5.329 -5.891 -19.492 1.00 21.23 C ATOM 1653 CD ARG A 99 6.728 -6.320 -19.906 1.00 62.40 C ATOM 1654 NE ARG A 99 6.943 -6.218 -21.348 1.00 12.32 N ATOM 1655 CZ ARG A 99 7.718 -7.049 -22.045 1.00 44.31 C ATOM 1656 NH1 ARG A 99 8.283 -8.097 -21.454 1.00 53.12 N ATOM 1657 NH2 ARG A 99 7.911 -6.834 -23.338 1.00 1.45 N ATOM 0 H ARG A 99 4.029 -2.276 -20.559 1.00 24.14 H new ATOM 0 HA ARG A 99 2.944 -4.596 -19.357 1.00 53.22 H new ATOM 0 HB2 ARG A 99 4.880 -4.438 -21.002 1.00 4.51 H new ATOM 0 HB3 ARG A 99 5.870 -3.827 -19.692 1.00 4.51 H new ATOM 0 HG2 ARG A 99 5.231 -5.973 -18.410 1.00 21.23 H new ATOM 0 HG3 ARG A 99 4.598 -6.570 -19.931 1.00 21.23 H new ATOM 0 HD2 ARG A 99 7.462 -5.702 -19.388 1.00 62.40 H new ATOM 0 HD3 ARG A 99 6.897 -7.349 -19.589 1.00 62.40 H new ATOM 0 HE ARG A 99 6.472 -5.466 -21.851 1.00 12.32 H new ATOM 0 HH11 ARG A 99 8.125 -8.269 -20.461 1.00 53.12 H new ATOM 0 HH12 ARG A 99 8.875 -8.729 -21.993 1.00 53.12 H new ATOM 0 HH21 ARG A 99 7.468 -6.037 -23.794 1.00 1.45 H new ATOM 0 HH22 ARG A 99 8.503 -7.466 -23.877 1.00 1.45 H new ATOM 1671 N ALA A 100 4.261 -2.437 -17.354 1.00 22.13 N ATOM 1672 CA ALA A 100 4.596 -2.125 -15.970 1.00 41.03 C ATOM 1673 C ALA A 100 3.503 -2.590 -15.013 1.00 54.43 C ATOM 1674 O ALA A 100 3.794 -3.097 -13.929 1.00 54.23 O ATOM 1675 CB ALA A 100 4.847 -0.635 -15.803 1.00 51.10 C ATOM 0 H ALA A 100 4.212 -1.625 -17.969 1.00 22.13 H new ATOM 0 HA ALA A 100 5.510 -2.665 -15.722 1.00 41.03 H new ATOM 0 HB1 ALA A 100 5.096 -0.422 -14.763 1.00 51.10 H new ATOM 0 HB2 ALA A 100 5.675 -0.331 -16.443 1.00 51.10 H new ATOM 0 HB3 ALA A 100 3.951 -0.081 -16.082 1.00 51.10 H new ATOM 1681 N LEU A 101 2.246 -2.439 -15.421 1.00 60.34 N ATOM 1682 CA LEU A 101 1.127 -2.849 -14.580 1.00 13.32 C ATOM 1683 C LEU A 101 1.002 -4.371 -14.556 1.00 53.24 C ATOM 1684 O LEU A 101 0.443 -4.945 -13.625 1.00 61.51 O ATOM 1685 CB LEU A 101 -0.182 -2.181 -15.043 1.00 34.04 C ATOM 1686 CG LEU A 101 -0.580 -2.392 -16.511 1.00 10.23 C ATOM 1687 CD1 LEU A 101 -1.298 -3.719 -16.709 1.00 60.22 C ATOM 1688 CD2 LEU A 101 -1.452 -1.243 -16.993 1.00 3.23 C ATOM 0 H LEU A 101 1.979 -2.039 -16.321 1.00 60.34 H new ATOM 0 HA LEU A 101 1.321 -2.515 -13.561 1.00 13.32 H new ATOM 0 HB2 LEU A 101 -0.993 -2.548 -14.414 1.00 34.04 H new ATOM 0 HB3 LEU A 101 -0.100 -1.109 -14.863 1.00 34.04 H new ATOM 0 HG LEU A 101 0.335 -2.416 -17.103 1.00 10.23 H new ATOM 0 HD11 LEU A 101 -1.565 -3.835 -17.759 1.00 60.22 H new ATOM 0 HD12 LEU A 101 -0.642 -4.536 -16.409 1.00 60.22 H new ATOM 0 HD13 LEU A 101 -2.202 -3.738 -16.101 1.00 60.22 H new ATOM 0 HD21 LEU A 101 -1.726 -1.407 -18.035 1.00 3.23 H new ATOM 0 HD22 LEU A 101 -2.355 -1.191 -16.384 1.00 3.23 H new ATOM 0 HD23 LEU A 101 -0.901 -0.307 -16.906 1.00 3.23 H new ATOM 1700 N SER A 102 1.550 -5.020 -15.576 1.00 4.24 N ATOM 1701 CA SER A 102 1.556 -6.473 -15.644 1.00 65.22 C ATOM 1702 C SER A 102 2.615 -7.029 -14.699 1.00 34.11 C ATOM 1703 O SER A 102 2.405 -8.043 -14.032 1.00 21.21 O ATOM 1704 CB SER A 102 1.829 -6.935 -17.080 1.00 22.23 C ATOM 1705 OG SER A 102 1.815 -8.348 -17.184 1.00 14.13 O ATOM 0 H SER A 102 1.997 -4.560 -16.369 1.00 4.24 H new ATOM 0 HA SER A 102 0.578 -6.847 -15.340 1.00 65.22 H new ATOM 0 HB2 SER A 102 1.078 -6.513 -17.748 1.00 22.23 H new ATOM 0 HB3 SER A 102 2.797 -6.555 -17.408 1.00 22.23 H new ATOM 0 HG SER A 102 1.991 -8.609 -18.112 1.00 14.13 H new ATOM 1711 N GLU A 103 3.753 -6.343 -14.644 1.00 51.41 N ATOM 1712 CA GLU A 103 4.838 -6.712 -13.747 1.00 32.21 C ATOM 1713 C GLU A 103 4.426 -6.482 -12.299 1.00 64.31 C ATOM 1714 O GLU A 103 4.565 -7.365 -11.452 1.00 21.51 O ATOM 1715 CB GLU A 103 6.088 -5.883 -14.060 1.00 3.13 C ATOM 1716 CG GLU A 103 6.589 -6.031 -15.490 1.00 3.22 C ATOM 1717 CD GLU A 103 7.120 -7.418 -15.790 1.00 55.12 C ATOM 1718 OE1 GLU A 103 8.253 -7.725 -15.365 1.00 2.21 O ATOM 1719 OE2 GLU A 103 6.420 -8.196 -16.468 1.00 51.33 O ATOM 0 H GLU A 103 3.946 -5.521 -15.217 1.00 51.41 H new ATOM 0 HA GLU A 103 5.062 -7.769 -13.892 1.00 32.21 H new ATOM 0 HB2 GLU A 103 5.871 -4.832 -13.869 1.00 3.13 H new ATOM 0 HB3 GLU A 103 6.885 -6.174 -13.375 1.00 3.13 H new ATOM 0 HG2 GLU A 103 5.776 -5.802 -16.179 1.00 3.22 H new ATOM 0 HG3 GLU A 103 7.376 -5.299 -15.671 1.00 3.22 H new ATOM 1726 N ALA A 104 3.894 -5.290 -12.031 1.00 1.25 N ATOM 1727 CA ALA A 104 3.508 -4.895 -10.680 1.00 14.52 C ATOM 1728 C ALA A 104 2.413 -5.796 -10.121 1.00 70.05 C ATOM 1729 O ALA A 104 2.264 -5.920 -8.906 1.00 44.53 O ATOM 1730 CB ALA A 104 3.052 -3.444 -10.665 1.00 13.24 C ATOM 0 H ALA A 104 3.720 -4.577 -12.739 1.00 1.25 H new ATOM 0 HA ALA A 104 4.385 -5.002 -10.041 1.00 14.52 H new ATOM 0 HB1 ALA A 104 2.767 -3.163 -9.651 1.00 13.24 H new ATOM 0 HB2 ALA A 104 3.866 -2.803 -11.004 1.00 13.24 H new ATOM 0 HB3 ALA A 104 2.196 -3.325 -11.329 1.00 13.24 H new ATOM 1736 N LEU A 105 1.661 -6.430 -11.012 1.00 53.15 N ATOM 1737 CA LEU A 105 0.569 -7.304 -10.612 1.00 60.13 C ATOM 1738 C LEU A 105 1.074 -8.433 -9.721 1.00 62.30 C ATOM 1739 O LEU A 105 0.467 -8.742 -8.691 1.00 15.32 O ATOM 1740 CB LEU A 105 -0.129 -7.884 -11.844 1.00 20.34 C ATOM 1741 CG LEU A 105 -1.389 -8.704 -11.555 1.00 51.15 C ATOM 1742 CD1 LEU A 105 -2.470 -7.823 -10.946 1.00 53.51 C ATOM 1743 CD2 LEU A 105 -1.894 -9.365 -12.828 1.00 65.53 C ATOM 0 H LEU A 105 1.790 -6.354 -12.021 1.00 53.15 H new ATOM 0 HA LEU A 105 -0.147 -6.710 -10.045 1.00 60.13 H new ATOM 0 HB2 LEU A 105 -0.394 -7.064 -12.511 1.00 20.34 H new ATOM 0 HB3 LEU A 105 0.580 -8.515 -12.380 1.00 20.34 H new ATOM 0 HG LEU A 105 -1.137 -9.484 -10.837 1.00 51.15 H new ATOM 0 HD11 LEU A 105 -3.358 -8.422 -10.747 1.00 53.51 H new ATOM 0 HD12 LEU A 105 -2.106 -7.393 -10.013 1.00 53.51 H new ATOM 0 HD13 LEU A 105 -2.721 -7.022 -11.641 1.00 53.51 H new ATOM 0 HD21 LEU A 105 -2.790 -9.944 -12.606 1.00 65.53 H new ATOM 0 HD22 LEU A 105 -2.131 -8.599 -13.567 1.00 65.53 H new ATOM 0 HD23 LEU A 105 -1.124 -10.026 -13.225 1.00 65.53 H new ATOM 1755 N GLU A 106 2.199 -9.037 -10.096 1.00 14.42 N ATOM 1756 CA GLU A 106 2.735 -10.150 -9.327 1.00 22.44 C ATOM 1757 C GLU A 106 3.420 -9.632 -8.068 1.00 53.52 C ATOM 1758 O GLU A 106 3.424 -10.302 -7.041 1.00 13.31 O ATOM 1759 CB GLU A 106 3.698 -11.011 -10.169 1.00 11.53 C ATOM 1760 CG GLU A 106 5.137 -10.508 -10.240 1.00 50.31 C ATOM 1761 CD GLU A 106 6.070 -11.244 -9.284 1.00 2.32 C ATOM 1762 OE1 GLU A 106 6.408 -12.416 -9.561 1.00 73.20 O ATOM 1763 OE2 GLU A 106 6.491 -10.649 -8.266 1.00 34.51 O ATOM 0 H GLU A 106 2.748 -8.778 -10.916 1.00 14.42 H new ATOM 0 HA GLU A 106 1.905 -10.793 -9.035 1.00 22.44 H new ATOM 0 HB2 GLU A 106 3.705 -12.022 -9.761 1.00 11.53 H new ATOM 0 HB3 GLU A 106 3.305 -11.079 -11.183 1.00 11.53 H new ATOM 0 HG2 GLU A 106 5.506 -10.621 -11.259 1.00 50.31 H new ATOM 0 HG3 GLU A 106 5.156 -9.443 -10.010 1.00 50.31 H new ATOM 1770 N LYS A 107 3.964 -8.418 -8.138 1.00 24.40 N ATOM 1771 CA LYS A 107 4.669 -7.841 -6.998 1.00 45.13 C ATOM 1772 C LYS A 107 3.694 -7.626 -5.849 1.00 24.22 C ATOM 1773 O LYS A 107 4.067 -7.685 -4.678 1.00 71.52 O ATOM 1774 CB LYS A 107 5.340 -6.505 -7.358 1.00 1.22 C ATOM 1775 CG LYS A 107 5.947 -6.435 -8.758 1.00 31.22 C ATOM 1776 CD LYS A 107 6.813 -7.638 -9.091 1.00 10.33 C ATOM 1777 CE LYS A 107 8.005 -7.773 -8.162 1.00 31.20 C ATOM 1778 NZ LYS A 107 8.733 -9.041 -8.415 1.00 50.52 N ATOM 0 H LYS A 107 3.930 -7.821 -8.964 1.00 24.40 H new ATOM 0 HA LYS A 107 5.451 -8.540 -6.702 1.00 45.13 H new ATOM 0 HB2 LYS A 107 4.602 -5.709 -7.260 1.00 1.22 H new ATOM 0 HB3 LYS A 107 6.125 -6.304 -6.629 1.00 1.22 H new ATOM 0 HG2 LYS A 107 5.145 -6.357 -9.492 1.00 31.22 H new ATOM 0 HG3 LYS A 107 6.546 -5.528 -8.843 1.00 31.22 H new ATOM 0 HD2 LYS A 107 6.208 -8.543 -9.034 1.00 10.33 H new ATOM 0 HD3 LYS A 107 7.166 -7.554 -10.119 1.00 10.33 H new ATOM 0 HE2 LYS A 107 8.679 -6.928 -8.303 1.00 31.20 H new ATOM 0 HE3 LYS A 107 7.669 -7.743 -7.126 1.00 31.20 H new ATOM 0 HZ1 LYS A 107 9.424 -9.202 -7.655 1.00 50.52 H new ATOM 0 HZ2 LYS A 107 8.057 -9.831 -8.441 1.00 50.52 H new ATOM 0 HZ3 LYS A 107 9.229 -8.980 -9.327 1.00 50.52 H new ATOM 1792 N LEU A 108 2.440 -7.372 -6.199 1.00 4.13 N ATOM 1793 CA LEU A 108 1.377 -7.240 -5.216 1.00 14.33 C ATOM 1794 C LEU A 108 0.877 -8.610 -4.777 1.00 65.10 C ATOM 1795 O LEU A 108 0.986 -8.970 -3.609 1.00 43.12 O ATOM 1796 CB LEU A 108 0.211 -6.421 -5.786 1.00 1.10 C ATOM 1797 CG LEU A 108 0.268 -4.913 -5.528 1.00 32.43 C ATOM 1798 CD1 LEU A 108 0.216 -4.628 -4.036 1.00 63.24 C ATOM 1799 CD2 LEU A 108 1.516 -4.297 -6.146 1.00 11.42 C ATOM 0 H LEU A 108 2.134 -7.253 -7.165 1.00 4.13 H new ATOM 0 HA LEU A 108 1.784 -6.719 -4.350 1.00 14.33 H new ATOM 0 HB2 LEU A 108 0.169 -6.585 -6.863 1.00 1.10 H new ATOM 0 HB3 LEU A 108 -0.718 -6.807 -5.368 1.00 1.10 H new ATOM 0 HG LEU A 108 -0.601 -4.456 -6.001 1.00 32.43 H new ATOM 0 HD11 LEU A 108 0.257 -3.552 -3.870 1.00 63.24 H new ATOM 0 HD12 LEU A 108 -0.711 -5.024 -3.622 1.00 63.24 H new ATOM 0 HD13 LEU A 108 1.065 -5.104 -3.545 1.00 63.24 H new ATOM 0 HD21 LEU A 108 1.530 -3.225 -5.947 1.00 11.42 H new ATOM 0 HD22 LEU A 108 2.403 -4.758 -5.711 1.00 11.42 H new ATOM 0 HD23 LEU A 108 1.510 -4.466 -7.223 1.00 11.42 H new ATOM 1811 N TRP A 109 0.351 -9.371 -5.727 1.00 32.34 N ATOM 1812 CA TRP A 109 -0.279 -10.664 -5.439 1.00 32.14 C ATOM 1813 C TRP A 109 0.670 -11.636 -4.741 1.00 44.53 C ATOM 1814 O TRP A 109 0.380 -12.133 -3.650 1.00 70.42 O ATOM 1815 CB TRP A 109 -0.784 -11.310 -6.732 1.00 31.11 C ATOM 1816 CG TRP A 109 -2.006 -10.663 -7.308 1.00 4.20 C ATOM 1817 CD1 TRP A 109 -2.517 -9.434 -7.003 1.00 4.31 C ATOM 1818 CD2 TRP A 109 -2.872 -11.224 -8.301 1.00 34.14 C ATOM 1819 NE1 TRP A 109 -3.652 -9.202 -7.738 1.00 73.03 N ATOM 1820 CE2 TRP A 109 -3.889 -10.285 -8.546 1.00 13.14 C ATOM 1821 CE3 TRP A 109 -2.884 -12.432 -9.009 1.00 61.22 C ATOM 1822 CZ2 TRP A 109 -4.908 -10.514 -9.468 1.00 45.13 C ATOM 1823 CZ3 TRP A 109 -3.897 -12.660 -9.923 1.00 52.55 C ATOM 1824 CH2 TRP A 109 -4.897 -11.706 -10.143 1.00 13.03 C ATOM 0 H TRP A 109 0.346 -9.117 -6.715 1.00 32.34 H new ATOM 0 HA TRP A 109 -1.111 -10.460 -4.765 1.00 32.14 H new ATOM 0 HB2 TRP A 109 0.013 -11.280 -7.475 1.00 31.11 H new ATOM 0 HB3 TRP A 109 -1.000 -12.361 -6.539 1.00 31.11 H new ATOM 0 HD1 TRP A 109 -2.090 -8.746 -6.288 1.00 4.31 H new ATOM 0 HE1 TRP A 109 -4.227 -8.361 -7.691 1.00 73.03 H new ATOM 0 HE3 TRP A 109 -2.116 -13.173 -8.844 1.00 61.22 H new ATOM 0 HZ2 TRP A 109 -5.679 -9.778 -9.644 1.00 45.13 H new ATOM 0 HZ3 TRP A 109 -3.916 -13.588 -10.475 1.00 52.55 H new ATOM 0 HH2 TRP A 109 -5.677 -11.914 -10.860 1.00 13.03 H new ATOM 1835 N ARG A 110 1.804 -11.887 -5.383 1.00 72.33 N ATOM 1836 CA ARG A 110 2.763 -12.892 -4.936 1.00 50.11 C ATOM 1837 C ARG A 110 3.298 -12.560 -3.546 1.00 5.03 C ATOM 1838 O ARG A 110 3.493 -13.445 -2.712 1.00 53.43 O ATOM 1839 CB ARG A 110 3.909 -12.952 -5.950 1.00 14.42 C ATOM 1840 CG ARG A 110 4.908 -14.076 -5.750 1.00 72.12 C ATOM 1841 CD ARG A 110 5.955 -14.036 -6.850 1.00 53.41 C ATOM 1842 NE ARG A 110 6.896 -15.150 -6.781 1.00 54.20 N ATOM 1843 CZ ARG A 110 7.736 -15.464 -7.765 1.00 1.43 C ATOM 1844 NH1 ARG A 110 7.766 -14.735 -8.877 1.00 24.30 N ATOM 1845 NH2 ARG A 110 8.555 -16.500 -7.636 1.00 51.34 N ATOM 0 H ARG A 110 2.087 -11.398 -6.232 1.00 72.33 H new ATOM 0 HA ARG A 110 2.269 -13.862 -4.872 1.00 50.11 H new ATOM 0 HB2 ARG A 110 3.481 -13.044 -6.948 1.00 14.42 H new ATOM 0 HB3 ARG A 110 4.446 -12.004 -5.920 1.00 14.42 H new ATOM 0 HG2 ARG A 110 5.387 -13.980 -4.776 1.00 72.12 H new ATOM 0 HG3 ARG A 110 4.394 -15.037 -5.759 1.00 72.12 H new ATOM 0 HD2 ARG A 110 5.457 -14.048 -7.819 1.00 53.41 H new ATOM 0 HD3 ARG A 110 6.506 -13.098 -6.786 1.00 53.41 H new ATOM 0 HE ARG A 110 6.911 -15.718 -5.934 1.00 54.20 H new ATOM 0 HH11 ARG A 110 7.144 -13.933 -8.978 1.00 24.30 H new ATOM 0 HH12 ARG A 110 8.411 -14.978 -9.629 1.00 24.30 H new ATOM 0 HH21 ARG A 110 8.542 -17.057 -6.782 1.00 51.34 H new ATOM 0 HH22 ARG A 110 9.198 -16.739 -8.391 1.00 51.34 H new ATOM 1859 N ARG A 111 3.505 -11.275 -3.297 1.00 72.12 N ATOM 1860 CA ARG A 111 4.078 -10.823 -2.039 1.00 72.25 C ATOM 1861 C ARG A 111 3.010 -10.718 -0.953 1.00 21.31 C ATOM 1862 O ARG A 111 3.268 -11.008 0.213 1.00 51.12 O ATOM 1863 CB ARG A 111 4.749 -9.464 -2.240 1.00 52.34 C ATOM 1864 CG ARG A 111 5.668 -9.049 -1.105 1.00 13.33 C ATOM 1865 CD ARG A 111 6.843 -10.004 -0.971 1.00 34.51 C ATOM 1866 NE ARG A 111 7.558 -10.171 -2.237 1.00 61.42 N ATOM 1867 CZ ARG A 111 8.875 -10.322 -2.338 1.00 11.45 C ATOM 1868 NH1 ARG A 111 9.636 -10.308 -1.251 1.00 21.12 N ATOM 1869 NH2 ARG A 111 9.431 -10.484 -3.533 1.00 40.42 N ATOM 0 H ARG A 111 3.284 -10.525 -3.952 1.00 72.12 H new ATOM 0 HA ARG A 111 4.819 -11.555 -1.716 1.00 72.25 H new ATOM 0 HB2 ARG A 111 5.323 -9.488 -3.167 1.00 52.34 H new ATOM 0 HB3 ARG A 111 3.977 -8.705 -2.363 1.00 52.34 H new ATOM 0 HG2 ARG A 111 6.036 -8.038 -1.283 1.00 13.33 H new ATOM 0 HG3 ARG A 111 5.108 -9.025 -0.170 1.00 13.33 H new ATOM 0 HD2 ARG A 111 7.530 -9.629 -0.213 1.00 34.51 H new ATOM 0 HD3 ARG A 111 6.485 -10.974 -0.626 1.00 34.51 H new ATOM 0 HE ARG A 111 7.010 -10.172 -3.098 1.00 61.42 H new ATOM 0 HH11 ARG A 111 9.211 -10.181 -0.333 1.00 21.12 H new ATOM 0 HH12 ARG A 111 10.646 -10.424 -1.334 1.00 21.12 H new ATOM 0 HH21 ARG A 111 8.848 -10.492 -4.370 1.00 40.42 H new ATOM 0 HH22 ARG A 111 10.441 -10.600 -3.614 1.00 40.42 H new ATOM 1883 N HIS A 112 1.807 -10.317 -1.348 1.00 44.04 N ATOM 1884 CA HIS A 112 0.728 -10.066 -0.396 1.00 34.52 C ATOM 1885 C HIS A 112 0.309 -11.355 0.306 1.00 71.21 C ATOM 1886 O HIS A 112 0.133 -11.376 1.524 1.00 14.41 O ATOM 1887 CB HIS A 112 -0.478 -9.454 -1.114 1.00 1.34 C ATOM 1888 CG HIS A 112 -1.319 -8.569 -0.246 1.00 1.11 C ATOM 1889 ND1 HIS A 112 -1.801 -7.347 -0.668 1.00 2.34 N ATOM 1890 CD2 HIS A 112 -1.769 -8.729 1.022 1.00 64.13 C ATOM 1891 CE1 HIS A 112 -2.505 -6.794 0.302 1.00 34.31 C ATOM 1892 NE2 HIS A 112 -2.503 -7.611 1.340 1.00 30.30 N ATOM 0 H HIS A 112 1.553 -10.158 -2.323 1.00 44.04 H new ATOM 0 HA HIS A 112 1.095 -9.366 0.354 1.00 34.52 H new ATOM 0 HB2 HIS A 112 -0.125 -8.877 -1.969 1.00 1.34 H new ATOM 0 HB3 HIS A 112 -1.100 -10.258 -1.507 1.00 1.34 H new ATOM 0 HD1 HIS A 112 -1.639 -6.935 -1.587 1.00 2.34 H new ATOM 0 HD2 HIS A 112 -1.585 -9.578 1.664 1.00 64.13 H new ATOM 0 HE1 HIS A 112 -2.999 -5.835 0.255 1.00 34.31 H new ATOM 1901 N CYS A 113 0.157 -12.420 -0.469 1.00 32.54 N ATOM 1902 CA CYS A 113 -0.286 -13.704 0.064 1.00 42.14 C ATOM 1903 C CYS A 113 0.740 -14.264 1.047 1.00 50.53 C ATOM 1904 O CYS A 113 0.388 -14.773 2.112 1.00 73.31 O ATOM 1905 CB CYS A 113 -0.519 -14.694 -1.082 1.00 3.30 C ATOM 1906 SG CYS A 113 -1.196 -16.284 -0.560 1.00 71.40 S ATOM 0 H CYS A 113 0.334 -12.421 -1.473 1.00 32.54 H new ATOM 0 HA CYS A 113 -1.224 -13.553 0.599 1.00 42.14 H new ATOM 0 HB2 CYS A 113 -1.198 -14.242 -1.805 1.00 3.30 H new ATOM 0 HB3 CYS A 113 0.426 -14.866 -1.597 1.00 3.30 H new ATOM 0 HG CYS A 113 -2.131 -16.089 0.321 1.00 71.40 H new ATOM 1912 N ARG A 114 2.014 -14.133 0.698 1.00 10.44 N ATOM 1913 CA ARG A 114 3.094 -14.661 1.522 1.00 43.24 C ATOM 1914 C ARG A 114 3.245 -13.858 2.810 1.00 35.20 C ATOM 1915 O ARG A 114 3.781 -14.354 3.803 1.00 24.44 O ATOM 1916 CB ARG A 114 4.410 -14.654 0.740 1.00 53.10 C ATOM 1917 CG ARG A 114 4.402 -15.567 -0.477 1.00 30.45 C ATOM 1918 CD ARG A 114 4.216 -17.025 -0.087 1.00 73.02 C ATOM 1919 NE ARG A 114 5.338 -17.531 0.704 1.00 23.25 N ATOM 1920 CZ ARG A 114 5.668 -18.818 0.789 1.00 21.04 C ATOM 1921 NH1 ARG A 114 4.945 -19.739 0.166 1.00 51.42 N ATOM 1922 NH2 ARG A 114 6.718 -19.190 1.509 1.00 14.01 N ATOM 0 H ARG A 114 2.325 -13.664 -0.153 1.00 10.44 H new ATOM 0 HA ARG A 114 2.844 -15.688 1.788 1.00 43.24 H new ATOM 0 HB2 ARG A 114 4.626 -13.635 0.418 1.00 53.10 H new ATOM 0 HB3 ARG A 114 5.219 -14.956 1.405 1.00 53.10 H new ATOM 0 HG2 ARG A 114 3.601 -15.266 -1.152 1.00 30.45 H new ATOM 0 HG3 ARG A 114 5.338 -15.453 -1.023 1.00 30.45 H new ATOM 0 HD2 ARG A 114 3.293 -17.132 0.483 1.00 73.02 H new ATOM 0 HD3 ARG A 114 4.106 -17.629 -0.987 1.00 73.02 H new ATOM 0 HE ARG A 114 5.902 -16.857 1.222 1.00 23.25 H new ATOM 0 HH11 ARG A 114 4.131 -19.463 -0.382 1.00 51.42 H new ATOM 0 HH12 ARG A 114 5.203 -20.723 0.235 1.00 51.42 H new ATOM 0 HH21 ARG A 114 7.274 -18.489 1.999 1.00 14.01 H new ATOM 0 HH22 ARG A 114 6.969 -20.177 1.573 1.00 14.01 H new ATOM 1936 N LEU A 115 2.771 -12.621 2.789 1.00 32.31 N ATOM 1937 CA LEU A 115 2.835 -11.761 3.961 1.00 65.34 C ATOM 1938 C LEU A 115 1.642 -12.011 4.878 1.00 32.53 C ATOM 1939 O LEU A 115 1.803 -12.165 6.090 1.00 42.21 O ATOM 1940 CB LEU A 115 2.872 -10.288 3.539 1.00 42.35 C ATOM 1941 CG LEU A 115 2.961 -9.284 4.689 1.00 60.43 C ATOM 1942 CD1 LEU A 115 4.271 -9.449 5.450 1.00 25.34 C ATOM 1943 CD2 LEU A 115 2.817 -7.862 4.167 1.00 3.34 C ATOM 0 H LEU A 115 2.338 -12.190 1.972 1.00 32.31 H new ATOM 0 HA LEU A 115 3.749 -11.996 4.507 1.00 65.34 H new ATOM 0 HB2 LEU A 115 3.726 -10.137 2.879 1.00 42.35 H new ATOM 0 HB3 LEU A 115 1.977 -10.071 2.957 1.00 42.35 H new ATOM 0 HG LEU A 115 2.141 -9.481 5.380 1.00 60.43 H new ATOM 0 HD11 LEU A 115 4.313 -8.725 6.264 1.00 25.34 H new ATOM 0 HD12 LEU A 115 4.330 -10.458 5.859 1.00 25.34 H new ATOM 0 HD13 LEU A 115 5.109 -9.283 4.773 1.00 25.34 H new ATOM 0 HD21 LEU A 115 2.883 -7.161 4.999 1.00 3.34 H new ATOM 0 HD22 LEU A 115 3.614 -7.654 3.453 1.00 3.34 H new ATOM 0 HD23 LEU A 115 1.851 -7.751 3.675 1.00 3.34 H new ATOM 1955 N ALA A 116 0.451 -12.067 4.286 1.00 62.24 N ATOM 1956 CA ALA A 116 -0.782 -12.237 5.047 1.00 53.12 C ATOM 1957 C ALA A 116 -0.805 -13.579 5.765 1.00 75.42 C ATOM 1958 O ALA A 116 -1.410 -13.719 6.828 1.00 73.01 O ATOM 1959 CB ALA A 116 -1.991 -12.106 4.132 1.00 72.02 C ATOM 0 H ALA A 116 0.315 -11.997 3.278 1.00 62.24 H new ATOM 0 HA ALA A 116 -0.823 -11.451 5.801 1.00 53.12 H new ATOM 0 HB1 ALA A 116 -2.903 -12.235 4.714 1.00 72.02 H new ATOM 0 HB2 ALA A 116 -1.992 -11.119 3.670 1.00 72.02 H new ATOM 0 HB3 ALA A 116 -1.944 -12.870 3.356 1.00 72.02 H new ATOM 1965 N ARG A 117 -0.147 -14.567 5.176 1.00 13.11 N ATOM 1966 CA ARG A 117 -0.048 -15.878 5.789 1.00 55.50 C ATOM 1967 C ARG A 117 1.227 -15.974 6.613 1.00 44.01 C ATOM 1968 O ARG A 117 2.300 -16.287 6.091 1.00 61.42 O ATOM 1969 CB ARG A 117 -0.089 -16.973 4.721 1.00 4.30 C ATOM 1970 CG ARG A 117 -1.368 -16.950 3.904 1.00 3.23 C ATOM 1971 CD ARG A 117 -1.389 -18.038 2.845 1.00 64.14 C ATOM 1972 NE ARG A 117 -2.629 -18.007 2.080 1.00 23.44 N ATOM 1973 CZ ARG A 117 -3.337 -19.081 1.759 1.00 0.54 C ATOM 1974 NH1 ARG A 117 -2.892 -20.290 2.073 1.00 3.10 N ATOM 1975 NH2 ARG A 117 -4.483 -18.939 1.113 1.00 10.13 N ATOM 0 H ARG A 117 0.325 -14.483 4.276 1.00 13.11 H new ATOM 0 HA ARG A 117 -0.900 -16.021 6.453 1.00 55.50 H new ATOM 0 HB2 ARG A 117 0.765 -16.856 4.054 1.00 4.30 H new ATOM 0 HB3 ARG A 117 0.013 -17.946 5.201 1.00 4.30 H new ATOM 0 HG2 ARG A 117 -2.224 -17.074 4.568 1.00 3.23 H new ATOM 0 HG3 ARG A 117 -1.474 -15.977 3.425 1.00 3.23 H new ATOM 0 HD2 ARG A 117 -0.541 -17.911 2.172 1.00 64.14 H new ATOM 0 HD3 ARG A 117 -1.276 -19.013 3.319 1.00 64.14 H new ATOM 0 HE ARG A 117 -2.975 -17.099 1.771 1.00 23.44 H new ATOM 0 HH11 ARG A 117 -2.003 -20.395 2.563 1.00 3.10 H new ATOM 0 HH12 ARG A 117 -3.438 -21.115 1.825 1.00 3.10 H new ATOM 0 HH21 ARG A 117 -4.817 -18.008 0.865 1.00 10.13 H new ATOM 0 HH22 ARG A 117 -5.033 -19.761 0.863 1.00 10.13 H new ATOM 1989 N GLY A 118 1.108 -15.674 7.895 1.00 73.43 N ATOM 1990 CA GLY A 118 2.256 -15.697 8.780 1.00 63.04 C ATOM 1991 C GLY A 118 2.228 -14.553 9.769 1.00 50.31 C ATOM 1992 O GLY A 118 3.234 -13.871 9.973 1.00 20.55 O ATOM 0 H GLY A 118 0.230 -15.413 8.344 1.00 73.43 H new ATOM 0 HA2 GLY A 118 2.279 -16.643 9.320 1.00 63.04 H new ATOM 0 HA3 GLY A 118 3.171 -15.644 8.190 1.00 63.04 H new ATOM 1996 N SER A 119 1.069 -14.327 10.369 1.00 53.23 N ATOM 1997 CA SER A 119 0.900 -13.259 11.337 1.00 71.01 C ATOM 1998 C SER A 119 0.270 -13.811 12.613 1.00 60.44 C ATOM 1999 O SER A 119 -0.970 -13.960 12.647 1.00 55.13 O ATOM 2000 CB SER A 119 0.018 -12.156 10.745 1.00 20.14 C ATOM 2001 OG SER A 119 0.488 -11.757 9.467 1.00 75.30 O ATOM 2002 OXT SER A 119 1.010 -14.114 13.573 1.00 0.00 O ATOM 0 H SER A 119 0.226 -14.876 10.199 1.00 53.23 H new ATOM 0 HA SER A 119 1.875 -12.837 11.580 1.00 71.01 H new ATOM 0 HB2 SER A 119 -1.009 -12.512 10.663 1.00 20.14 H new ATOM 0 HB3 SER A 119 0.005 -11.297 11.416 1.00 20.14 H new ATOM 0 HG SER A 119 -0.093 -11.053 9.110 1.00 75.30 H new TER 2008 SER A 119