USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 821 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 87 SER OG : rot 170:sc= 0.233 USER MOD Set 1.2: A 89 GLN : amide:sc= -1.79 K(o=-1.6,f=0.8) USER MOD Set 2.1: A 80 GLN : amide:sc= -1.92 K(o=-3.2,f=-7!) USER MOD Set 2.2: A 84 THR OG1 : rot -120:sc= -1.28 USER MOD Set 3.1: A 50 HIS : no HD1:sc= -0.0458 X(o=-0.046,f=-0.2) USER MOD Set 3.2: A 105 CYS SG : rot -47:sc= 0 USER MOD Set 4.1: A 45 LYS NZ :NH3+ 162:sc= 0.274 (180deg=0) USER MOD Set 4.2: A 48 CYS SG : rot -2:sc= -0.469 USER MOD Set 5.1: A 44 SER OG : rot 21:sc= 1.2 USER MOD Set 5.2: A 51 SER OG : rot 77:sc= 0.273 USER MOD Set 5.3: A 52 THR OG1 : rot -27:sc= 1.24 USER MOD Set 6.1: A 41 MET CE :methyl -119:sc= -7.17! (180deg=-13.7!) USER MOD Set 6.2: A 94 ASN : amide:sc= -3.03 K(o=-10,f=-12!) USER MOD Single : A 38 ASN : amide:sc= 0.18 K(o=0.18,f=-0.84) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -38:sc= 0.412 USER MOD Single : A 65 TYR OH : rot 141:sc= -0.14 USER MOD Single : A 66 ASN : amide:sc= -0.0128 K(o=-0.013,f=-2.4!) USER MOD Single : A 72 GLN : amide:sc= -0.0233 K(o=-0.023,f=-0.83) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0838 USER MOD Single : A 88 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 140:sc= 0.0926 USER MOD Single : A 98 ASN : amide:sc= -0.35 K(o=-0.35,f=0.18) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.43) USER MOD Single : A 108 THR OG1 : rot -139:sc= -2.36 USER MOD Single : A 110 GLN : amide:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-3.6!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.041) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 119 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0465) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 0.711 -1.904 0.378 1.00 5.33 N ATOM 2 CA ALA A 23 1.588 -1.670 -0.762 1.00 40.13 C ATOM 3 C ALA A 23 1.734 -2.929 -1.609 1.00 23.32 C ATOM 4 O ALA A 23 2.119 -2.863 -2.777 1.00 13.20 O ATOM 5 CB ALA A 23 2.953 -1.189 -0.290 1.00 35.03 C ATOM 0 HA ALA A 23 1.137 -0.895 -1.382 1.00 40.13 H new ATOM 0 HB1 ALA A 23 3.597 -1.019 -1.153 1.00 35.03 H new ATOM 0 HB2 ALA A 23 2.839 -0.259 0.267 1.00 35.03 H new ATOM 0 HB3 ALA A 23 3.402 -1.945 0.354 1.00 35.03 H new ATOM 11 N ARG A 24 1.427 -4.077 -1.014 1.00 12.31 N ATOM 12 CA ARG A 24 1.526 -5.351 -1.713 1.00 74.42 C ATOM 13 C ARG A 24 0.790 -5.297 -3.049 1.00 64.42 C ATOM 14 O ARG A 24 1.172 -5.970 -4.006 1.00 1.23 O ATOM 15 CB ARG A 24 0.953 -6.478 -0.850 1.00 5.35 C ATOM 16 CG ARG A 24 -0.497 -6.261 -0.450 1.00 70.53 C ATOM 17 CD ARG A 24 -1.442 -7.080 -1.316 1.00 64.13 C ATOM 18 NE ARG A 24 -2.747 -7.260 -0.685 1.00 24.51 N ATOM 19 CZ ARG A 24 -2.975 -8.126 0.295 1.00 33.33 C ATOM 20 NH1 ARG A 24 -1.991 -8.889 0.754 1.00 14.32 N ATOM 21 NH2 ARG A 24 -4.189 -8.232 0.820 1.00 72.21 N ATOM 0 H ARG A 24 1.107 -4.150 -0.048 1.00 12.31 H new ATOM 0 HA ARG A 24 2.580 -5.549 -1.905 1.00 74.42 H new ATOM 0 HB2 ARG A 24 1.034 -7.419 -1.395 1.00 5.35 H new ATOM 0 HB3 ARG A 24 1.559 -6.578 0.051 1.00 5.35 H new ATOM 0 HG2 ARG A 24 -0.632 -6.534 0.597 1.00 70.53 H new ATOM 0 HG3 ARG A 24 -0.746 -5.203 -0.538 1.00 70.53 H new ATOM 0 HD2 ARG A 24 -1.570 -6.586 -2.279 1.00 64.13 H new ATOM 0 HD3 ARG A 24 -0.998 -8.055 -1.514 1.00 64.13 H new ATOM 0 HE ARG A 24 -3.525 -6.689 -1.015 1.00 24.51 H new ATOM 0 HH11 ARG A 24 -1.056 -8.811 0.354 1.00 14.32 H new ATOM 0 HH12 ARG A 24 -2.170 -9.553 1.507 1.00 14.32 H new ATOM 0 HH21 ARG A 24 -4.949 -7.648 0.471 1.00 72.21 H new ATOM 0 HH22 ARG A 24 -4.363 -8.898 1.573 1.00 72.21 H new ATOM 35 N GLU A 25 -0.266 -4.491 -3.106 1.00 24.32 N ATOM 36 CA GLU A 25 -1.055 -4.351 -4.324 1.00 23.02 C ATOM 37 C GLU A 25 -0.334 -3.469 -5.339 1.00 12.30 C ATOM 38 O GLU A 25 -0.408 -3.706 -6.544 1.00 51.42 O ATOM 39 CB GLU A 25 -2.429 -3.761 -4.003 1.00 4.11 C ATOM 40 CG GLU A 25 -3.582 -4.527 -4.629 1.00 45.10 C ATOM 41 CD GLU A 25 -4.600 -4.989 -3.605 1.00 1.32 C ATOM 42 OE1 GLU A 25 -4.305 -5.951 -2.866 1.00 52.41 O ATOM 43 OE2 GLU A 25 -5.693 -4.386 -3.542 1.00 72.23 O ATOM 0 H GLU A 25 -0.594 -3.926 -2.323 1.00 24.32 H new ATOM 0 HA GLU A 25 -1.187 -5.342 -4.758 1.00 23.02 H new ATOM 0 HB2 GLU A 25 -2.562 -3.740 -2.921 1.00 4.11 H new ATOM 0 HB3 GLU A 25 -2.461 -2.727 -4.348 1.00 4.11 H new ATOM 0 HG2 GLU A 25 -4.076 -3.894 -5.367 1.00 45.10 H new ATOM 0 HG3 GLU A 25 -3.191 -5.393 -5.163 1.00 45.10 H new ATOM 50 N GLU A 26 0.361 -2.451 -4.842 1.00 44.31 N ATOM 51 CA GLU A 26 1.093 -1.532 -5.706 1.00 52.40 C ATOM 52 C GLU A 26 2.239 -2.249 -6.415 1.00 50.20 C ATOM 53 O GLU A 26 2.407 -2.124 -7.629 1.00 54.21 O ATOM 54 CB GLU A 26 1.639 -0.357 -4.892 1.00 13.21 C ATOM 55 CG GLU A 26 0.612 0.734 -4.634 1.00 40.23 C ATOM 56 CD GLU A 26 0.676 1.850 -5.660 1.00 23.22 C ATOM 57 OE1 GLU A 26 0.816 1.543 -6.862 1.00 54.35 O ATOM 58 OE2 GLU A 26 0.587 3.029 -5.259 1.00 14.14 O ATOM 0 H GLU A 26 0.433 -2.242 -3.846 1.00 44.31 H new ATOM 0 HA GLU A 26 0.402 -1.153 -6.459 1.00 52.40 H new ATOM 0 HB2 GLU A 26 2.010 -0.729 -3.937 1.00 13.21 H new ATOM 0 HB3 GLU A 26 2.491 0.074 -5.418 1.00 13.21 H new ATOM 0 HG2 GLU A 26 -0.386 0.297 -4.640 1.00 40.23 H new ATOM 0 HG3 GLU A 26 0.772 1.150 -3.639 1.00 40.23 H new ATOM 65 N LEU A 27 3.024 -2.998 -5.650 1.00 22.12 N ATOM 66 CA LEU A 27 4.155 -3.735 -6.203 1.00 50.31 C ATOM 67 C LEU A 27 3.705 -4.649 -7.339 1.00 1.00 C ATOM 68 O LEU A 27 4.176 -4.527 -8.470 1.00 13.14 O ATOM 69 CB LEU A 27 4.837 -4.558 -5.110 1.00 23.23 C ATOM 70 CG LEU A 27 5.755 -5.683 -5.590 1.00 74.25 C ATOM 71 CD1 LEU A 27 7.172 -5.470 -5.080 1.00 33.32 C ATOM 72 CD2 LEU A 27 5.222 -7.036 -5.141 1.00 12.12 C ATOM 0 H LEU A 27 2.898 -3.111 -4.644 1.00 22.12 H new ATOM 0 HA LEU A 27 4.868 -3.013 -6.602 1.00 50.31 H new ATOM 0 HB2 LEU A 27 5.420 -3.882 -4.485 1.00 23.23 H new ATOM 0 HB3 LEU A 27 4.065 -4.992 -4.475 1.00 23.23 H new ATOM 0 HG LEU A 27 5.777 -5.668 -6.680 1.00 74.25 H new ATOM 0 HD11 LEU A 27 7.811 -6.280 -5.432 1.00 33.32 H new ATOM 0 HD12 LEU A 27 7.554 -4.519 -5.452 1.00 33.32 H new ATOM 0 HD13 LEU A 27 7.168 -5.458 -3.990 1.00 33.32 H new ATOM 0 HD21 LEU A 27 5.888 -7.824 -5.492 1.00 12.12 H new ATOM 0 HD22 LEU A 27 5.169 -7.063 -4.053 1.00 12.12 H new ATOM 0 HD23 LEU A 27 4.226 -7.191 -5.557 1.00 12.12 H new ATOM 84 N ARG A 28 2.791 -5.563 -7.029 1.00 51.43 N ATOM 85 CA ARG A 28 2.278 -6.496 -8.024 1.00 71.24 C ATOM 86 C ARG A 28 1.762 -5.753 -9.253 1.00 11.41 C ATOM 87 O ARG A 28 1.920 -6.216 -10.383 1.00 4.20 O ATOM 88 CB ARG A 28 1.158 -7.349 -7.423 1.00 62.44 C ATOM 89 CG ARG A 28 1.021 -8.717 -8.073 1.00 32.54 C ATOM 90 CD ARG A 28 0.544 -8.605 -9.512 1.00 13.11 C ATOM 91 NE ARG A 28 -0.198 -9.790 -9.937 1.00 42.02 N ATOM 92 CZ ARG A 28 -1.053 -9.796 -10.954 1.00 4.24 C ATOM 93 NH1 ARG A 28 -1.273 -8.687 -11.646 1.00 40.34 N ATOM 94 NH2 ARG A 28 -1.690 -10.913 -11.279 1.00 42.12 N ATOM 0 H ARG A 28 2.391 -5.677 -6.098 1.00 51.43 H new ATOM 0 HA ARG A 28 3.097 -7.146 -8.332 1.00 71.24 H new ATOM 0 HB2 ARG A 28 1.344 -7.479 -6.357 1.00 62.44 H new ATOM 0 HB3 ARG A 28 0.213 -6.814 -7.519 1.00 62.44 H new ATOM 0 HG2 ARG A 28 1.982 -9.232 -8.046 1.00 32.54 H new ATOM 0 HG3 ARG A 28 0.318 -9.324 -7.502 1.00 32.54 H new ATOM 0 HD2 ARG A 28 -0.089 -7.724 -9.616 1.00 13.11 H new ATOM 0 HD3 ARG A 28 1.402 -8.460 -10.168 1.00 13.11 H new ATOM 0 HE ARG A 28 -0.052 -10.660 -9.425 1.00 42.02 H new ATOM 0 HH11 ARG A 28 -0.785 -7.826 -11.398 1.00 40.34 H new ATOM 0 HH12 ARG A 28 -1.930 -8.695 -12.426 1.00 40.34 H new ATOM 0 HH21 ARG A 28 -1.524 -11.768 -10.748 1.00 42.12 H new ATOM 0 HH22 ARG A 28 -2.346 -10.917 -12.060 1.00 42.12 H new ATOM 108 N ARG A 29 1.143 -4.599 -9.024 1.00 23.14 N ATOM 109 CA ARG A 29 0.602 -3.793 -10.110 1.00 51.44 C ATOM 110 C ARG A 29 1.699 -3.404 -11.097 1.00 62.42 C ATOM 111 O ARG A 29 1.432 -3.154 -12.272 1.00 72.54 O ATOM 112 CB ARG A 29 -0.069 -2.535 -9.556 1.00 1.31 C ATOM 113 CG ARG A 29 -1.580 -2.525 -9.727 1.00 4.03 C ATOM 114 CD ARG A 29 -2.275 -1.958 -8.498 1.00 64.14 C ATOM 115 NE ARG A 29 -3.594 -1.419 -8.816 1.00 71.42 N ATOM 116 CZ ARG A 29 -4.319 -0.701 -7.967 1.00 20.44 C ATOM 117 NH1 ARG A 29 -3.855 -0.435 -6.754 1.00 23.20 N ATOM 118 NH2 ARG A 29 -5.512 -0.246 -8.330 1.00 2.53 N ATOM 0 H ARG A 29 1.004 -4.202 -8.095 1.00 23.14 H new ATOM 0 HA ARG A 29 -0.142 -4.391 -10.636 1.00 51.44 H new ATOM 0 HB2 ARG A 29 0.169 -2.443 -8.496 1.00 1.31 H new ATOM 0 HB3 ARG A 29 0.350 -1.661 -10.054 1.00 1.31 H new ATOM 0 HG2 ARG A 29 -1.845 -1.932 -10.602 1.00 4.03 H new ATOM 0 HG3 ARG A 29 -1.933 -3.540 -9.911 1.00 4.03 H new ATOM 0 HD2 ARG A 29 -2.375 -2.740 -7.745 1.00 64.14 H new ATOM 0 HD3 ARG A 29 -1.658 -1.172 -8.062 1.00 64.14 H new ATOM 0 HE ARG A 29 -3.980 -1.604 -9.742 1.00 71.42 H new ATOM 0 HH11 ARG A 29 -2.939 -0.782 -6.471 1.00 23.20 H new ATOM 0 HH12 ARG A 29 -4.414 0.117 -6.104 1.00 23.20 H new ATOM 0 HH21 ARG A 29 -5.873 -0.448 -9.262 1.00 2.53 H new ATOM 0 HH22 ARG A 29 -6.068 0.306 -7.676 1.00 2.53 H new ATOM 132 N ARG A 30 2.935 -3.355 -10.611 1.00 2.42 N ATOM 133 CA ARG A 30 4.073 -2.995 -11.448 1.00 11.11 C ATOM 134 C ARG A 30 4.625 -4.220 -12.171 1.00 55.52 C ATOM 135 O ARG A 30 5.071 -4.130 -13.316 1.00 72.34 O ATOM 136 CB ARG A 30 5.172 -2.349 -10.603 1.00 65.11 C ATOM 137 CG ARG A 30 5.131 -0.830 -10.606 1.00 75.40 C ATOM 138 CD ARG A 30 6.399 -0.237 -10.013 1.00 15.34 C ATOM 139 NE ARG A 30 6.369 1.224 -10.007 1.00 71.32 N ATOM 140 CZ ARG A 30 7.328 1.976 -9.479 1.00 64.15 C ATOM 141 NH1 ARG A 30 8.387 1.408 -8.918 1.00 41.54 N ATOM 142 NH2 ARG A 30 7.229 3.299 -9.513 1.00 21.42 N ATOM 0 H ARG A 30 3.174 -3.560 -9.641 1.00 2.42 H new ATOM 0 HA ARG A 30 3.730 -2.278 -12.194 1.00 11.11 H new ATOM 0 HB2 ARG A 30 5.085 -2.704 -9.576 1.00 65.11 H new ATOM 0 HB3 ARG A 30 6.143 -2.678 -10.973 1.00 65.11 H new ATOM 0 HG2 ARG A 30 5.003 -0.471 -11.627 1.00 75.40 H new ATOM 0 HG3 ARG A 30 4.267 -0.487 -10.037 1.00 75.40 H new ATOM 0 HD2 ARG A 30 6.527 -0.601 -8.994 1.00 15.34 H new ATOM 0 HD3 ARG A 30 7.261 -0.580 -10.585 1.00 15.34 H new ATOM 0 HE ARG A 30 5.568 1.692 -10.431 1.00 71.32 H new ATOM 0 HH11 ARG A 30 8.466 0.391 -8.891 1.00 41.54 H new ATOM 0 HH12 ARG A 30 9.122 1.988 -8.513 1.00 41.54 H new ATOM 0 HH21 ARG A 30 6.416 3.739 -9.945 1.00 21.42 H new ATOM 0 HH22 ARG A 30 7.966 3.876 -9.107 1.00 21.42 H new ATOM 156 N LEU A 31 4.593 -5.363 -11.496 1.00 11.22 N ATOM 157 CA LEU A 31 5.090 -6.607 -12.072 1.00 44.24 C ATOM 158 C LEU A 31 4.253 -7.020 -13.279 1.00 25.12 C ATOM 159 O LEU A 31 4.770 -7.594 -14.238 1.00 4.34 O ATOM 160 CB LEU A 31 5.077 -7.720 -11.023 1.00 65.25 C ATOM 161 CG LEU A 31 5.591 -7.338 -9.634 1.00 73.10 C ATOM 162 CD1 LEU A 31 5.437 -8.504 -8.669 1.00 62.34 C ATOM 163 CD2 LEU A 31 7.043 -6.890 -9.706 1.00 33.41 C ATOM 0 H LEU A 31 4.228 -5.454 -10.548 1.00 11.22 H new ATOM 0 HA LEU A 31 6.115 -6.441 -12.403 1.00 44.24 H new ATOM 0 HB2 LEU A 31 4.055 -8.086 -10.923 1.00 65.25 H new ATOM 0 HB3 LEU A 31 5.677 -8.550 -11.395 1.00 65.25 H new ATOM 0 HG LEU A 31 4.994 -6.505 -9.263 1.00 73.10 H new ATOM 0 HD11 LEU A 31 5.808 -8.214 -7.686 1.00 62.34 H new ATOM 0 HD12 LEU A 31 4.385 -8.777 -8.594 1.00 62.34 H new ATOM 0 HD13 LEU A 31 6.008 -9.357 -9.035 1.00 62.34 H new ATOM 0 HD21 LEU A 31 7.391 -6.622 -8.708 1.00 33.41 H new ATOM 0 HD22 LEU A 31 7.655 -7.702 -10.098 1.00 33.41 H new ATOM 0 HD23 LEU A 31 7.124 -6.024 -10.363 1.00 33.41 H new ATOM 175 N ARG A 32 2.960 -6.724 -13.225 1.00 52.02 N ATOM 176 CA ARG A 32 2.051 -7.063 -14.313 1.00 62.33 C ATOM 177 C ARG A 32 2.132 -6.029 -15.432 1.00 12.14 C ATOM 178 O ARG A 32 1.806 -6.318 -16.583 1.00 41.34 O ATOM 179 CB ARG A 32 0.615 -7.161 -13.796 1.00 65.31 C ATOM 180 CG ARG A 32 -0.277 -8.054 -14.643 1.00 55.34 C ATOM 181 CD ARG A 32 0.207 -9.495 -14.636 1.00 12.20 C ATOM 182 NE ARG A 32 -0.901 -10.446 -14.623 1.00 14.43 N ATOM 183 CZ ARG A 32 -0.743 -11.760 -14.729 1.00 15.41 C ATOM 184 NH1 ARG A 32 0.471 -12.277 -14.855 1.00 73.33 N ATOM 185 NH2 ARG A 32 -1.801 -12.560 -14.709 1.00 55.21 N ATOM 0 H ARG A 32 2.517 -6.249 -12.438 1.00 52.02 H new ATOM 0 HA ARG A 32 2.351 -8.031 -14.715 1.00 62.33 H new ATOM 0 HB2 ARG A 32 0.631 -7.541 -12.775 1.00 65.31 H new ATOM 0 HB3 ARG A 32 0.183 -6.161 -13.757 1.00 65.31 H new ATOM 0 HG2 ARG A 32 -1.299 -8.011 -14.266 1.00 55.34 H new ATOM 0 HG3 ARG A 32 -0.299 -7.682 -15.667 1.00 55.34 H new ATOM 0 HD2 ARG A 32 0.827 -9.673 -15.515 1.00 12.20 H new ATOM 0 HD3 ARG A 32 0.837 -9.661 -13.762 1.00 12.20 H new ATOM 0 HE ARG A 32 -1.849 -10.081 -14.527 1.00 14.43 H new ATOM 0 HH11 ARG A 32 1.287 -11.665 -14.871 1.00 73.33 H new ATOM 0 HH12 ARG A 32 0.589 -13.287 -14.936 1.00 73.33 H new ATOM 0 HH21 ARG A 32 -2.737 -12.166 -14.612 1.00 55.21 H new ATOM 0 HH22 ARG A 32 -1.679 -13.569 -14.791 1.00 55.21 H new ATOM 199 N ASP A 33 2.567 -4.823 -15.084 1.00 50.40 N ATOM 200 CA ASP A 33 2.690 -3.744 -16.058 1.00 43.12 C ATOM 201 C ASP A 33 4.024 -3.828 -16.795 1.00 51.35 C ATOM 202 O ASP A 33 4.156 -3.341 -17.918 1.00 75.44 O ATOM 203 CB ASP A 33 2.560 -2.386 -15.367 1.00 1.21 C ATOM 204 CG ASP A 33 1.119 -1.933 -15.249 1.00 12.05 C ATOM 205 OD1 ASP A 33 0.215 -2.771 -15.450 1.00 55.44 O ATOM 206 OD2 ASP A 33 0.894 -0.740 -14.955 1.00 51.25 O ATOM 0 H ASP A 33 2.840 -4.568 -14.135 1.00 50.40 H new ATOM 0 HA ASP A 33 1.885 -3.851 -16.785 1.00 43.12 H new ATOM 0 HB2 ASP A 33 3.002 -2.444 -14.372 1.00 1.21 H new ATOM 0 HB3 ASP A 33 3.127 -1.642 -15.925 1.00 1.21 H new ATOM 211 N LEU A 34 5.010 -4.446 -16.155 1.00 73.40 N ATOM 212 CA LEU A 34 6.334 -4.594 -16.749 1.00 44.52 C ATOM 213 C LEU A 34 6.253 -5.325 -18.085 1.00 11.42 C ATOM 214 O LEU A 34 7.149 -5.210 -18.922 1.00 4.21 O ATOM 215 CB LEU A 34 7.261 -5.349 -15.796 1.00 70.20 C ATOM 216 CG LEU A 34 8.760 -5.149 -16.018 1.00 23.33 C ATOM 217 CD1 LEU A 34 9.528 -5.391 -14.728 1.00 22.15 C ATOM 218 CD2 LEU A 34 9.264 -6.069 -17.121 1.00 11.32 C ATOM 0 H LEU A 34 4.918 -4.853 -15.224 1.00 73.40 H new ATOM 0 HA LEU A 34 6.739 -3.598 -16.926 1.00 44.52 H new ATOM 0 HB2 LEU A 34 7.022 -5.049 -14.776 1.00 70.20 H new ATOM 0 HB3 LEU A 34 7.041 -6.414 -15.875 1.00 70.20 H new ATOM 0 HG LEU A 34 8.927 -4.117 -16.328 1.00 23.33 H new ATOM 0 HD11 LEU A 34 10.593 -5.244 -14.906 1.00 22.15 H new ATOM 0 HD12 LEU A 34 9.187 -4.691 -13.965 1.00 22.15 H new ATOM 0 HD13 LEU A 34 9.355 -6.412 -14.387 1.00 22.15 H new ATOM 0 HD21 LEU A 34 10.333 -5.913 -17.265 1.00 11.32 H new ATOM 0 HD22 LEU A 34 9.084 -7.107 -16.840 1.00 11.32 H new ATOM 0 HD23 LEU A 34 8.737 -5.847 -18.049 1.00 11.32 H new ATOM 230 N ILE A 35 5.174 -6.075 -18.279 1.00 74.15 N ATOM 231 CA ILE A 35 4.976 -6.822 -19.515 1.00 15.20 C ATOM 232 C ILE A 35 4.452 -5.918 -20.625 1.00 51.25 C ATOM 233 O ILE A 35 4.610 -6.217 -21.809 1.00 32.14 O ATOM 234 CB ILE A 35 3.992 -7.991 -19.315 1.00 4.42 C ATOM 235 CG1 ILE A 35 4.387 -8.813 -18.086 1.00 4.21 C ATOM 236 CG2 ILE A 35 3.955 -8.869 -20.556 1.00 2.01 C ATOM 237 CD1 ILE A 35 3.393 -8.718 -16.950 1.00 62.13 C ATOM 0 H ILE A 35 4.424 -6.182 -17.596 1.00 74.15 H new ATOM 0 HA ILE A 35 5.949 -7.221 -19.802 1.00 15.20 H new ATOM 0 HB ILE A 35 2.994 -7.584 -19.152 1.00 4.42 H new ATOM 0 HG12 ILE A 35 4.495 -9.858 -18.377 1.00 4.21 H new ATOM 0 HG13 ILE A 35 5.363 -8.478 -17.733 1.00 4.21 H new ATOM 0 HG21 ILE A 35 3.256 -9.690 -20.400 1.00 2.01 H new ATOM 0 HG22 ILE A 35 3.633 -8.276 -21.412 1.00 2.01 H new ATOM 0 HG23 ILE A 35 4.950 -9.271 -20.747 1.00 2.01 H new ATOM 0 HD11 ILE A 35 3.738 -9.325 -16.113 1.00 62.13 H new ATOM 0 HD12 ILE A 35 3.303 -7.679 -16.632 1.00 62.13 H new ATOM 0 HD13 ILE A 35 2.421 -9.081 -17.285 1.00 62.13 H new ATOM 249 N GLU A 36 3.830 -4.809 -20.235 1.00 74.14 N ATOM 250 CA GLU A 36 3.284 -3.861 -21.199 1.00 50.31 C ATOM 251 C GLU A 36 4.366 -2.906 -21.696 1.00 11.15 C ATOM 252 O GLU A 36 4.325 -2.441 -22.833 1.00 14.20 O ATOM 253 CB GLU A 36 2.136 -3.066 -20.572 1.00 64.33 C ATOM 254 CG GLU A 36 1.268 -2.346 -21.591 1.00 13.03 C ATOM 255 CD GLU A 36 -0.143 -2.107 -21.089 1.00 34.42 C ATOM 256 OE1 GLU A 36 -0.299 -1.745 -19.904 1.00 64.33 O ATOM 257 OE2 GLU A 36 -1.091 -2.282 -21.883 1.00 31.34 O ATOM 0 H GLU A 36 3.692 -4.546 -19.259 1.00 74.14 H new ATOM 0 HA GLU A 36 2.903 -4.426 -22.050 1.00 50.31 H new ATOM 0 HB2 GLU A 36 1.512 -3.743 -19.989 1.00 64.33 H new ATOM 0 HB3 GLU A 36 2.548 -2.335 -19.877 1.00 64.33 H new ATOM 0 HG2 GLU A 36 1.727 -1.390 -21.843 1.00 13.03 H new ATOM 0 HG3 GLU A 36 1.229 -2.933 -22.509 1.00 13.03 H new ATOM 264 N GLY A 37 5.335 -2.618 -20.832 1.00 3.24 N ATOM 265 CA GLY A 37 6.414 -1.720 -21.199 1.00 63.11 C ATOM 266 C GLY A 37 7.484 -2.407 -22.026 1.00 11.32 C ATOM 267 O GLY A 37 8.365 -1.751 -22.578 1.00 24.30 O ATOM 0 H GLY A 37 5.392 -2.991 -19.884 1.00 3.24 H new ATOM 0 HA2 GLY A 37 6.008 -0.880 -21.762 1.00 63.11 H new ATOM 0 HA3 GLY A 37 6.865 -1.310 -20.295 1.00 63.11 H new ATOM 271 N ASN A 38 7.406 -3.730 -22.109 1.00 21.34 N ATOM 272 CA ASN A 38 8.377 -4.507 -22.872 1.00 33.12 C ATOM 273 C ASN A 38 7.733 -5.762 -23.454 1.00 52.32 C ATOM 274 O ASN A 38 6.973 -6.454 -22.777 1.00 12.54 O ATOM 275 CB ASN A 38 9.562 -4.893 -21.986 1.00 32.21 C ATOM 276 CG ASN A 38 9.953 -3.783 -21.028 1.00 24.52 C ATOM 277 OD1 ASN A 38 10.804 -2.950 -21.340 1.00 72.00 O ATOM 278 ND2 ASN A 38 9.332 -3.770 -19.855 1.00 10.24 N ATOM 0 H ASN A 38 6.681 -4.288 -21.658 1.00 21.34 H new ATOM 0 HA ASN A 38 8.734 -3.888 -23.695 1.00 33.12 H new ATOM 0 HB2 ASN A 38 9.311 -5.788 -21.417 1.00 32.21 H new ATOM 0 HB3 ASN A 38 10.416 -5.144 -22.615 1.00 32.21 H new ATOM 0 HD21 ASN A 38 9.554 -3.049 -19.169 1.00 10.24 H new ATOM 0 HD22 ASN A 38 8.633 -4.481 -19.640 1.00 10.24 H new ATOM 285 N ARG A 39 8.042 -6.049 -24.714 1.00 23.20 N ATOM 286 CA ARG A 39 7.494 -7.220 -25.388 1.00 50.52 C ATOM 287 C ARG A 39 7.643 -8.466 -24.520 1.00 53.14 C ATOM 288 O ARG A 39 6.674 -9.188 -24.283 1.00 24.44 O ATOM 289 CB ARG A 39 8.193 -7.435 -26.732 1.00 63.51 C ATOM 290 CG ARG A 39 7.808 -8.736 -27.416 1.00 72.24 C ATOM 291 CD ARG A 39 6.298 -8.894 -27.504 1.00 22.33 C ATOM 292 NE ARG A 39 5.673 -7.792 -28.230 1.00 63.52 N ATOM 293 CZ ARG A 39 5.698 -7.676 -29.553 1.00 25.23 C ATOM 294 NH1 ARG A 39 6.315 -8.590 -30.290 1.00 1.01 N ATOM 295 NH2 ARG A 39 5.106 -6.645 -30.141 1.00 65.45 N ATOM 0 H ARG A 39 8.669 -5.487 -25.289 1.00 23.20 H new ATOM 0 HA ARG A 39 6.432 -7.044 -25.562 1.00 50.52 H new ATOM 0 HB2 ARG A 39 7.955 -6.602 -27.393 1.00 63.51 H new ATOM 0 HB3 ARG A 39 9.272 -7.421 -26.577 1.00 63.51 H new ATOM 0 HG2 ARG A 39 8.237 -8.762 -28.418 1.00 72.24 H new ATOM 0 HG3 ARG A 39 8.231 -9.577 -26.866 1.00 72.24 H new ATOM 0 HD2 ARG A 39 6.060 -9.835 -28.000 1.00 22.33 H new ATOM 0 HD3 ARG A 39 5.880 -8.949 -26.499 1.00 22.33 H new ATOM 0 HE ARG A 39 5.191 -7.072 -27.692 1.00 63.52 H new ATOM 0 HH11 ARG A 39 6.772 -9.384 -29.841 1.00 1.01 H new ATOM 0 HH12 ARG A 39 6.333 -8.499 -31.306 1.00 1.01 H new ATOM 0 HH21 ARG A 39 4.631 -5.940 -29.577 1.00 65.45 H new ATOM 0 HH22 ARG A 39 5.126 -6.557 -31.157 1.00 65.45 H new ATOM 309 N VAL A 40 8.861 -8.711 -24.050 1.00 21.25 N ATOM 310 CA VAL A 40 9.136 -9.869 -23.207 1.00 20.11 C ATOM 311 C VAL A 40 9.504 -9.444 -21.790 1.00 55.42 C ATOM 312 O VAL A 40 10.258 -8.490 -21.594 1.00 34.44 O ATOM 313 CB VAL A 40 10.278 -10.726 -23.786 1.00 42.31 C ATOM 314 CG1 VAL A 40 10.703 -11.794 -22.789 1.00 54.33 C ATOM 315 CG2 VAL A 40 9.855 -11.354 -25.105 1.00 71.33 C ATOM 0 H VAL A 40 9.673 -8.124 -24.238 1.00 21.25 H new ATOM 0 HA VAL A 40 8.223 -10.463 -23.179 1.00 20.11 H new ATOM 0 HB VAL A 40 11.135 -10.079 -23.976 1.00 42.31 H new ATOM 0 HG11 VAL A 40 11.510 -12.389 -23.216 1.00 54.33 H new ATOM 0 HG12 VAL A 40 11.049 -11.318 -21.871 1.00 54.33 H new ATOM 0 HG13 VAL A 40 9.855 -12.441 -22.565 1.00 54.33 H new ATOM 0 HG21 VAL A 40 10.673 -11.956 -25.500 1.00 71.33 H new ATOM 0 HG22 VAL A 40 8.983 -11.988 -24.943 1.00 71.33 H new ATOM 0 HG23 VAL A 40 9.605 -10.569 -25.818 1.00 71.33 H new ATOM 325 N MET A 41 8.966 -10.156 -20.806 1.00 11.25 N ATOM 326 CA MET A 41 9.240 -9.853 -19.405 1.00 54.34 C ATOM 327 C MET A 41 9.656 -11.110 -18.648 1.00 1.33 C ATOM 328 O MET A 41 8.916 -12.093 -18.606 1.00 4.13 O ATOM 329 CB MET A 41 8.006 -9.232 -18.746 1.00 41.42 C ATOM 330 CG MET A 41 8.119 -9.114 -17.235 1.00 61.32 C ATOM 331 SD MET A 41 7.447 -10.549 -16.375 1.00 34.34 S ATOM 332 CE MET A 41 6.034 -9.818 -15.551 1.00 41.11 C ATOM 0 H MET A 41 8.338 -10.946 -20.952 1.00 11.25 H new ATOM 0 HA MET A 41 10.063 -9.139 -19.367 1.00 54.34 H new ATOM 0 HB2 MET A 41 7.839 -8.241 -19.168 1.00 41.42 H new ATOM 0 HB3 MET A 41 7.131 -9.835 -18.991 1.00 41.42 H new ATOM 0 HG2 MET A 41 9.167 -8.989 -16.961 1.00 61.32 H new ATOM 0 HG3 MET A 41 7.594 -8.218 -16.904 1.00 61.32 H new ATOM 0 HE1 MET A 41 6.147 -9.925 -14.472 1.00 41.11 H new ATOM 0 HE2 MET A 41 5.971 -8.760 -15.806 1.00 41.11 H new ATOM 0 HE3 MET A 41 5.124 -10.324 -15.873 1.00 41.11 H new ATOM 342 N ILE A 42 10.843 -11.070 -18.053 1.00 4.40 N ATOM 343 CA ILE A 42 11.357 -12.206 -17.297 1.00 51.32 C ATOM 344 C ILE A 42 12.069 -11.745 -16.029 1.00 73.12 C ATOM 345 O ILE A 42 12.863 -10.805 -16.057 1.00 31.12 O ATOM 346 CB ILE A 42 12.329 -13.050 -18.141 1.00 22.44 C ATOM 347 CG1 ILE A 42 13.329 -12.145 -18.866 1.00 15.35 C ATOM 348 CG2 ILE A 42 11.562 -13.905 -19.138 1.00 15.13 C ATOM 349 CD1 ILE A 42 14.772 -12.464 -18.549 1.00 1.30 C ATOM 0 H ILE A 42 11.467 -10.264 -18.080 1.00 4.40 H new ATOM 0 HA ILE A 42 10.498 -12.820 -17.026 1.00 51.32 H new ATOM 0 HB ILE A 42 12.883 -13.712 -17.475 1.00 22.44 H new ATOM 0 HG12 ILE A 42 13.174 -12.234 -19.941 1.00 15.35 H new ATOM 0 HG13 ILE A 42 13.128 -11.108 -18.599 1.00 15.35 H new ATOM 0 HG21 ILE A 42 12.264 -14.495 -19.727 1.00 15.13 H new ATOM 0 HG22 ILE A 42 10.887 -14.572 -18.602 1.00 15.13 H new ATOM 0 HG23 ILE A 42 10.984 -13.261 -19.801 1.00 15.13 H new ATOM 0 HD11 ILE A 42 15.424 -11.784 -19.097 1.00 1.30 H new ATOM 0 HD12 ILE A 42 14.944 -12.348 -17.479 1.00 1.30 H new ATOM 0 HD13 ILE A 42 14.990 -13.491 -18.842 1.00 1.30 H new ATOM 361 N PHE A 43 11.780 -12.416 -14.919 1.00 10.11 N ATOM 362 CA PHE A 43 12.393 -12.076 -13.640 1.00 44.04 C ATOM 363 C PHE A 43 13.255 -13.226 -13.128 1.00 31.33 C ATOM 364 O PHE A 43 12.956 -14.396 -13.370 1.00 60.05 O ATOM 365 CB PHE A 43 11.316 -11.733 -12.608 1.00 63.35 C ATOM 366 CG PHE A 43 10.395 -10.631 -13.048 1.00 43.23 C ATOM 367 CD1 PHE A 43 10.841 -9.639 -13.907 1.00 3.32 C ATOM 368 CD2 PHE A 43 9.084 -10.586 -12.602 1.00 74.24 C ATOM 369 CE1 PHE A 43 9.996 -8.622 -14.312 1.00 31.43 C ATOM 370 CE2 PHE A 43 8.234 -9.573 -13.004 1.00 63.53 C ATOM 371 CZ PHE A 43 8.691 -8.591 -13.860 1.00 50.15 C ATOM 0 H PHE A 43 11.126 -13.198 -14.879 1.00 10.11 H new ATOM 0 HA PHE A 43 13.031 -11.205 -13.792 1.00 44.04 H new ATOM 0 HB2 PHE A 43 10.727 -12.626 -12.398 1.00 63.35 H new ATOM 0 HB3 PHE A 43 11.798 -11.442 -11.674 1.00 63.35 H new ATOM 0 HD1 PHE A 43 11.860 -9.660 -14.264 1.00 3.32 H new ATOM 0 HD2 PHE A 43 8.722 -11.352 -11.932 1.00 74.24 H new ATOM 0 HE1 PHE A 43 10.356 -7.854 -14.980 1.00 31.43 H new ATOM 0 HE2 PHE A 43 7.214 -9.550 -12.649 1.00 63.53 H new ATOM 0 HZ PHE A 43 8.028 -7.799 -14.176 1.00 50.15 H new ATOM 381 N SER A 44 14.327 -12.886 -12.419 1.00 41.24 N ATOM 382 CA SER A 44 15.235 -13.888 -11.877 1.00 20.25 C ATOM 383 C SER A 44 15.846 -13.413 -10.562 1.00 1.11 C ATOM 384 O SER A 44 15.370 -12.455 -9.953 1.00 21.40 O ATOM 385 CB SER A 44 16.344 -14.202 -12.884 1.00 53.04 C ATOM 386 OG SER A 44 16.453 -15.597 -13.105 1.00 40.21 O ATOM 0 H SER A 44 14.587 -11.923 -12.207 1.00 41.24 H new ATOM 0 HA SER A 44 14.662 -14.795 -11.685 1.00 20.25 H new ATOM 0 HB2 SER A 44 16.137 -13.696 -13.827 1.00 53.04 H new ATOM 0 HB3 SER A 44 17.294 -13.814 -12.516 1.00 53.04 H new ATOM 0 HG SER A 44 15.614 -16.035 -12.850 1.00 40.21 H new ATOM 392 N LYS A 45 16.906 -14.090 -10.130 1.00 74.35 N ATOM 393 CA LYS A 45 17.585 -13.738 -8.889 1.00 55.14 C ATOM 394 C LYS A 45 19.098 -13.836 -9.051 1.00 61.40 C ATOM 395 O LYS A 45 19.603 -14.023 -10.158 1.00 20.31 O ATOM 396 CB LYS A 45 17.122 -14.654 -7.754 1.00 40.12 C ATOM 397 CG LYS A 45 15.824 -14.208 -7.104 1.00 13.14 C ATOM 398 CD LYS A 45 15.839 -14.453 -5.605 1.00 34.22 C ATOM 399 CE LYS A 45 14.833 -15.521 -5.205 1.00 32.42 C ATOM 400 NZ LYS A 45 15.261 -16.256 -3.982 1.00 21.42 N ATOM 0 H LYS A 45 17.313 -14.886 -10.622 1.00 74.35 H new ATOM 0 HA LYS A 45 17.330 -12.707 -8.643 1.00 55.14 H new ATOM 0 HB2 LYS A 45 16.996 -15.665 -8.142 1.00 40.12 H new ATOM 0 HB3 LYS A 45 17.902 -14.700 -6.994 1.00 40.12 H new ATOM 0 HG2 LYS A 45 15.664 -13.148 -7.299 1.00 13.14 H new ATOM 0 HG3 LYS A 45 14.988 -14.744 -7.553 1.00 13.14 H new ATOM 0 HD2 LYS A 45 16.838 -14.759 -5.295 1.00 34.22 H new ATOM 0 HD3 LYS A 45 15.613 -13.524 -5.081 1.00 34.22 H new ATOM 0 HE2 LYS A 45 13.862 -15.058 -5.029 1.00 32.42 H new ATOM 0 HE3 LYS A 45 14.706 -16.226 -6.027 1.00 32.42 H new ATOM 0 HZ1 LYS A 45 14.443 -16.746 -3.567 1.00 21.42 H new ATOM 0 HZ2 LYS A 45 15.991 -16.953 -4.233 1.00 21.42 H new ATOM 0 HZ3 LYS A 45 15.648 -15.583 -3.290 1.00 21.42 H new ATOM 414 N SER A 46 19.817 -13.711 -7.940 1.00 12.41 N ATOM 415 CA SER A 46 21.273 -13.783 -7.959 1.00 41.15 C ATOM 416 C SER A 46 21.744 -15.229 -8.067 1.00 62.32 C ATOM 417 O SER A 46 22.544 -15.570 -8.939 1.00 24.32 O ATOM 418 CB SER A 46 21.854 -13.138 -6.699 1.00 34.50 C ATOM 419 OG SER A 46 23.146 -12.611 -6.945 1.00 22.42 O ATOM 0 H SER A 46 19.415 -13.559 -7.015 1.00 12.41 H new ATOM 0 HA SER A 46 21.627 -13.237 -8.834 1.00 41.15 H new ATOM 0 HB2 SER A 46 21.193 -12.342 -6.356 1.00 34.50 H new ATOM 0 HB3 SER A 46 21.905 -13.877 -5.899 1.00 34.50 H new ATOM 0 HG SER A 46 23.494 -12.203 -6.125 1.00 22.42 H new ATOM 425 N TYR A 47 21.242 -16.076 -7.176 1.00 21.42 N ATOM 426 CA TYR A 47 21.612 -17.487 -7.168 1.00 73.11 C ATOM 427 C TYR A 47 20.372 -18.375 -7.151 1.00 33.14 C ATOM 428 O TYR A 47 20.089 -19.045 -6.156 1.00 53.35 O ATOM 429 CB TYR A 47 22.494 -17.798 -5.958 1.00 15.22 C ATOM 430 CG TYR A 47 22.236 -16.894 -4.773 1.00 54.04 C ATOM 431 CD1 TYR A 47 21.083 -17.028 -4.010 1.00 21.30 C ATOM 432 CD2 TYR A 47 23.145 -15.906 -4.418 1.00 40.30 C ATOM 433 CE1 TYR A 47 20.843 -16.205 -2.927 1.00 31.10 C ATOM 434 CE2 TYR A 47 22.914 -15.078 -3.336 1.00 31.22 C ATOM 435 CZ TYR A 47 21.762 -15.232 -2.594 1.00 11.44 C ATOM 436 OH TYR A 47 21.527 -14.408 -1.517 1.00 23.33 O ATOM 0 H TYR A 47 20.577 -15.810 -6.449 1.00 21.42 H new ATOM 0 HA TYR A 47 22.172 -17.695 -8.080 1.00 73.11 H new ATOM 0 HB2 TYR A 47 22.332 -18.833 -5.657 1.00 15.22 H new ATOM 0 HB3 TYR A 47 23.541 -17.711 -6.250 1.00 15.22 H new ATOM 0 HD1 TYR A 47 20.362 -17.789 -4.268 1.00 21.30 H new ATOM 0 HD2 TYR A 47 24.048 -15.783 -4.997 1.00 40.30 H new ATOM 0 HE1 TYR A 47 19.941 -16.323 -2.345 1.00 31.10 H new ATOM 0 HE2 TYR A 47 23.631 -14.315 -3.073 1.00 31.22 H new ATOM 0 HH TYR A 47 22.272 -13.779 -1.418 1.00 23.33 H new ATOM 446 N CYS A 48 19.637 -18.377 -8.257 1.00 33.00 N ATOM 447 CA CYS A 48 18.427 -19.182 -8.370 1.00 35.41 C ATOM 448 C CYS A 48 18.294 -19.772 -9.771 1.00 3.40 C ATOM 449 O CYS A 48 17.831 -19.117 -10.705 1.00 73.24 O ATOM 450 CB CYS A 48 17.194 -18.339 -8.040 1.00 43.31 C ATOM 451 SG CYS A 48 17.152 -17.729 -6.339 1.00 1.14 S ATOM 0 H CYS A 48 19.858 -17.830 -9.089 1.00 33.00 H new ATOM 0 HA CYS A 48 18.499 -20.002 -7.655 1.00 35.41 H new ATOM 0 HB2 CYS A 48 17.156 -17.489 -8.721 1.00 43.31 H new ATOM 0 HB3 CYS A 48 16.300 -18.935 -8.223 1.00 43.31 H new ATOM 0 HG CYS A 48 18.192 -18.169 -5.694 1.00 1.14 H new ATOM 457 N PRO A 49 18.712 -21.037 -9.924 1.00 4.32 N ATOM 458 CA PRO A 49 18.652 -21.741 -11.207 1.00 62.23 C ATOM 459 C PRO A 49 17.221 -22.061 -11.626 1.00 44.13 C ATOM 460 O PRO A 49 16.289 -21.941 -10.830 1.00 50.32 O ATOM 461 CB PRO A 49 19.432 -23.031 -10.941 1.00 22.44 C ATOM 462 CG PRO A 49 19.317 -23.247 -9.471 1.00 72.22 C ATOM 463 CD PRO A 49 19.276 -21.876 -8.853 1.00 63.44 C ATOM 0 HA PRO A 49 19.059 -21.141 -12.021 1.00 62.23 H new ATOM 0 HB2 PRO A 49 19.013 -23.869 -11.498 1.00 22.44 H new ATOM 0 HB3 PRO A 49 20.474 -22.934 -11.247 1.00 22.44 H new ATOM 0 HG2 PRO A 49 18.417 -23.811 -9.229 1.00 72.22 H new ATOM 0 HG3 PRO A 49 20.164 -23.820 -9.093 1.00 72.22 H new ATOM 0 HD2 PRO A 49 18.654 -21.857 -7.958 1.00 63.44 H new ATOM 0 HD3 PRO A 49 20.269 -21.538 -8.558 1.00 63.44 H new ATOM 471 N HIS A 50 17.054 -22.469 -12.881 1.00 13.52 N ATOM 472 CA HIS A 50 15.735 -22.806 -13.405 1.00 4.24 C ATOM 473 C HIS A 50 14.995 -21.553 -13.860 1.00 12.51 C ATOM 474 O HIS A 50 14.466 -21.501 -14.971 1.00 41.11 O ATOM 475 CB HIS A 50 14.915 -23.541 -12.345 1.00 23.51 C ATOM 476 CG HIS A 50 13.945 -24.529 -12.917 1.00 53.12 C ATOM 477 ND1 HIS A 50 13.520 -24.494 -14.229 1.00 11.34 N ATOM 478 CD2 HIS A 50 13.318 -25.586 -12.349 1.00 4.53 C ATOM 479 CE1 HIS A 50 12.672 -25.484 -14.441 1.00 43.33 C ATOM 480 NE2 HIS A 50 12.533 -26.162 -13.316 1.00 61.23 N ATOM 0 H HIS A 50 17.815 -22.574 -13.553 1.00 13.52 H new ATOM 0 HA HIS A 50 15.869 -23.460 -14.267 1.00 4.24 H new ATOM 0 HB2 HIS A 50 15.593 -24.060 -11.668 1.00 23.51 H new ATOM 0 HB3 HIS A 50 14.368 -22.810 -11.749 1.00 23.51 H new ATOM 0 HD2 HIS A 50 13.417 -25.915 -11.325 1.00 4.53 H new ATOM 0 HE1 HIS A 50 12.176 -25.702 -15.375 1.00 43.33 H new ATOM 0 HE2 HIS A 50 11.939 -26.981 -13.187 1.00 61.23 H new ATOM 488 N SER A 51 14.958 -20.545 -12.994 1.00 65.00 N ATOM 489 CA SER A 51 14.278 -19.293 -13.305 1.00 42.23 C ATOM 490 C SER A 51 15.120 -18.436 -14.246 1.00 20.02 C ATOM 491 O SER A 51 14.593 -17.615 -14.997 1.00 12.31 O ATOM 492 CB SER A 51 13.978 -18.518 -12.022 1.00 24.25 C ATOM 493 OG SER A 51 13.937 -17.123 -12.266 1.00 43.21 O ATOM 0 H SER A 51 15.391 -20.571 -12.071 1.00 65.00 H new ATOM 0 HA SER A 51 13.339 -19.533 -13.803 1.00 42.23 H new ATOM 0 HB2 SER A 51 13.024 -18.846 -11.610 1.00 24.25 H new ATOM 0 HB3 SER A 51 14.740 -18.737 -11.274 1.00 24.25 H new ATOM 0 HG SER A 51 13.088 -16.891 -12.697 1.00 43.21 H new ATOM 499 N THR A 52 16.434 -18.634 -14.199 1.00 43.33 N ATOM 500 CA THR A 52 17.351 -17.880 -15.045 1.00 62.24 C ATOM 501 C THR A 52 17.484 -18.522 -16.421 1.00 22.44 C ATOM 502 O THR A 52 17.522 -17.830 -17.439 1.00 21.33 O ATOM 503 CB THR A 52 18.747 -17.772 -14.403 1.00 21.20 C ATOM 504 OG1 THR A 52 18.699 -16.900 -13.269 1.00 13.03 O ATOM 505 CG2 THR A 52 19.765 -17.251 -15.406 1.00 54.35 C ATOM 0 H THR A 52 16.887 -19.310 -13.584 1.00 43.33 H new ATOM 0 HA THR A 52 16.931 -16.880 -15.154 1.00 62.24 H new ATOM 0 HB THR A 52 19.053 -18.768 -14.082 1.00 21.20 H new ATOM 0 HG1 THR A 52 17.970 -16.255 -13.383 1.00 13.03 H new ATOM 0 HG21 THR A 52 20.743 -17.183 -14.930 1.00 54.35 H new ATOM 0 HG22 THR A 52 19.821 -17.932 -16.255 1.00 54.35 H new ATOM 0 HG23 THR A 52 19.461 -16.263 -15.753 1.00 54.35 H new ATOM 513 N ARG A 53 17.557 -19.849 -16.445 1.00 35.25 N ATOM 514 CA ARG A 53 17.687 -20.585 -17.696 1.00 55.13 C ATOM 515 C ARG A 53 16.615 -20.154 -18.694 1.00 21.13 C ATOM 516 O ARG A 53 16.892 -19.982 -19.881 1.00 72.13 O ATOM 517 CB ARG A 53 17.585 -22.090 -17.441 1.00 21.14 C ATOM 518 CG ARG A 53 16.640 -22.807 -18.391 1.00 50.12 C ATOM 519 CD ARG A 53 16.612 -24.304 -18.125 1.00 64.13 C ATOM 520 NE ARG A 53 16.609 -24.606 -16.697 1.00 64.41 N ATOM 521 CZ ARG A 53 16.996 -25.773 -16.191 1.00 40.13 C ATOM 522 NH1 ARG A 53 17.414 -26.741 -16.995 1.00 22.21 N ATOM 523 NH2 ARG A 53 16.964 -25.972 -14.880 1.00 23.41 N ATOM 0 H ARG A 53 17.528 -20.436 -15.611 1.00 35.25 H new ATOM 0 HA ARG A 53 18.666 -20.361 -18.120 1.00 55.13 H new ATOM 0 HB2 ARG A 53 18.577 -22.532 -17.527 1.00 21.14 H new ATOM 0 HB3 ARG A 53 17.250 -22.254 -16.417 1.00 21.14 H new ATOM 0 HG2 ARG A 53 15.635 -22.398 -18.283 1.00 50.12 H new ATOM 0 HG3 ARG A 53 16.950 -22.625 -19.420 1.00 50.12 H new ATOM 0 HD2 ARG A 53 15.726 -24.738 -18.589 1.00 64.13 H new ATOM 0 HD3 ARG A 53 17.479 -24.772 -18.593 1.00 64.13 H new ATOM 0 HE ARG A 53 16.293 -23.882 -16.052 1.00 64.41 H new ATOM 0 HH11 ARG A 53 17.439 -26.591 -18.004 1.00 22.21 H new ATOM 0 HH12 ARG A 53 17.711 -27.636 -16.605 1.00 22.21 H new ATOM 0 HH21 ARG A 53 16.642 -25.229 -14.259 1.00 23.41 H new ATOM 0 HH22 ARG A 53 17.261 -26.868 -14.493 1.00 23.41 H new ATOM 537 N VAL A 54 15.392 -19.983 -18.204 1.00 54.11 N ATOM 538 CA VAL A 54 14.279 -19.572 -19.052 1.00 10.44 C ATOM 539 C VAL A 54 14.620 -18.307 -19.831 1.00 4.13 C ATOM 540 O VAL A 54 14.041 -18.038 -20.884 1.00 64.03 O ATOM 541 CB VAL A 54 13.005 -19.323 -18.224 1.00 34.33 C ATOM 542 CG1 VAL A 54 13.086 -17.985 -17.506 1.00 52.23 C ATOM 543 CG2 VAL A 54 11.772 -19.388 -19.112 1.00 12.12 C ATOM 0 H VAL A 54 15.146 -20.123 -17.224 1.00 54.11 H new ATOM 0 HA VAL A 54 14.096 -20.388 -19.751 1.00 10.44 H new ATOM 0 HB VAL A 54 12.924 -20.107 -17.471 1.00 34.33 H new ATOM 0 HG11 VAL A 54 12.176 -17.827 -16.926 1.00 52.23 H new ATOM 0 HG12 VAL A 54 13.947 -17.982 -16.838 1.00 52.23 H new ATOM 0 HG13 VAL A 54 13.193 -17.185 -18.238 1.00 52.23 H new ATOM 0 HG21 VAL A 54 10.881 -19.210 -18.511 1.00 12.12 H new ATOM 0 HG22 VAL A 54 11.843 -18.627 -19.890 1.00 12.12 H new ATOM 0 HG23 VAL A 54 11.707 -20.373 -19.573 1.00 12.12 H new ATOM 553 N LYS A 55 15.564 -17.532 -19.308 1.00 32.52 N ATOM 554 CA LYS A 55 15.986 -16.295 -19.954 1.00 12.04 C ATOM 555 C LYS A 55 16.806 -16.588 -21.206 1.00 2.01 C ATOM 556 O LYS A 55 16.789 -15.817 -22.165 1.00 15.23 O ATOM 557 CB LYS A 55 16.803 -15.441 -18.983 1.00 12.22 C ATOM 558 CG LYS A 55 18.304 -15.618 -19.132 1.00 51.24 C ATOM 559 CD LYS A 55 19.065 -14.855 -18.061 1.00 71.01 C ATOM 560 CE LYS A 55 20.509 -15.324 -17.963 1.00 5.22 C ATOM 561 NZ LYS A 55 21.400 -14.573 -18.890 1.00 71.32 N ATOM 0 H LYS A 55 16.052 -17.739 -18.437 1.00 32.52 H new ATOM 0 HA LYS A 55 15.092 -15.744 -20.247 1.00 12.04 H new ATOM 0 HB2 LYS A 55 16.552 -14.391 -19.136 1.00 12.22 H new ATOM 0 HB3 LYS A 55 16.516 -15.691 -17.962 1.00 12.22 H new ATOM 0 HG2 LYS A 55 18.554 -16.677 -19.072 1.00 51.24 H new ATOM 0 HG3 LYS A 55 18.616 -15.272 -20.117 1.00 51.24 H new ATOM 0 HD2 LYS A 55 19.042 -13.789 -18.286 1.00 71.01 H new ATOM 0 HD3 LYS A 55 18.572 -14.988 -17.098 1.00 71.01 H new ATOM 0 HE2 LYS A 55 20.862 -15.200 -16.939 1.00 5.22 H new ATOM 0 HE3 LYS A 55 20.561 -16.388 -18.192 1.00 5.22 H new ATOM 0 HZ1 LYS A 55 22.375 -14.922 -18.793 1.00 71.32 H new ATOM 0 HZ2 LYS A 55 21.078 -14.712 -19.869 1.00 71.32 H new ATOM 0 HZ3 LYS A 55 21.370 -13.560 -18.656 1.00 71.32 H new ATOM 575 N GLU A 56 17.524 -17.706 -21.189 1.00 22.41 N ATOM 576 CA GLU A 56 18.352 -18.100 -22.324 1.00 13.42 C ATOM 577 C GLU A 56 17.486 -18.496 -23.516 1.00 52.14 C ATOM 578 O GLU A 56 17.916 -18.408 -24.668 1.00 31.04 O ATOM 579 CB GLU A 56 19.268 -19.262 -21.937 1.00 22.12 C ATOM 580 CG GLU A 56 20.739 -18.994 -22.207 1.00 12.31 C ATOM 581 CD GLU A 56 21.477 -20.225 -22.695 1.00 52.51 C ATOM 582 OE1 GLU A 56 21.018 -21.347 -22.398 1.00 64.10 O ATOM 583 OE2 GLU A 56 22.513 -20.066 -23.374 1.00 62.02 O ATOM 0 H GLU A 56 17.550 -18.355 -20.403 1.00 22.41 H new ATOM 0 HA GLU A 56 18.964 -17.244 -22.609 1.00 13.42 H new ATOM 0 HB2 GLU A 56 19.136 -19.480 -20.877 1.00 22.12 H new ATOM 0 HB3 GLU A 56 18.963 -20.153 -22.486 1.00 22.12 H new ATOM 0 HG2 GLU A 56 20.829 -18.202 -22.951 1.00 12.31 H new ATOM 0 HG3 GLU A 56 21.211 -18.630 -21.295 1.00 12.31 H new ATOM 590 N LEU A 57 16.264 -18.933 -23.233 1.00 72.40 N ATOM 591 CA LEU A 57 15.336 -19.344 -24.281 1.00 55.15 C ATOM 592 C LEU A 57 15.033 -18.185 -25.226 1.00 3.21 C ATOM 593 O LEU A 57 15.348 -18.240 -26.415 1.00 31.11 O ATOM 594 CB LEU A 57 14.037 -19.867 -23.665 1.00 43.51 C ATOM 595 CG LEU A 57 13.917 -21.386 -23.540 1.00 45.41 C ATOM 596 CD1 LEU A 57 15.085 -21.950 -22.746 1.00 43.01 C ATOM 597 CD2 LEU A 57 12.595 -21.765 -22.890 1.00 71.10 C ATOM 0 H LEU A 57 15.892 -19.012 -22.286 1.00 72.40 H new ATOM 0 HA LEU A 57 15.806 -20.143 -24.854 1.00 55.15 H new ATOM 0 HB2 LEU A 57 13.928 -19.431 -22.672 1.00 43.51 H new ATOM 0 HB3 LEU A 57 13.202 -19.505 -24.265 1.00 43.51 H new ATOM 0 HG LEU A 57 13.943 -21.817 -24.541 1.00 45.41 H new ATOM 0 HD11 LEU A 57 14.983 -23.032 -22.667 1.00 43.01 H new ATOM 0 HD12 LEU A 57 16.019 -21.710 -23.253 1.00 43.01 H new ATOM 0 HD13 LEU A 57 15.091 -21.513 -21.748 1.00 43.01 H new ATOM 0 HD21 LEU A 57 12.527 -22.850 -22.809 1.00 71.10 H new ATOM 0 HD22 LEU A 57 12.539 -21.323 -21.895 1.00 71.10 H new ATOM 0 HD23 LEU A 57 11.771 -21.394 -23.499 1.00 71.10 H new ATOM 609 N PHE A 58 14.422 -17.134 -24.688 1.00 22.24 N ATOM 610 CA PHE A 58 14.078 -15.960 -25.481 1.00 63.32 C ATOM 611 C PHE A 58 15.275 -15.489 -26.303 1.00 34.02 C ATOM 612 O PHE A 58 15.151 -15.205 -27.494 1.00 31.43 O ATOM 613 CB PHE A 58 13.591 -14.830 -24.574 1.00 41.31 C ATOM 614 CG PHE A 58 12.199 -15.039 -24.047 1.00 63.33 C ATOM 615 CD1 PHE A 58 11.158 -15.343 -24.908 1.00 74.44 C ATOM 616 CD2 PHE A 58 11.934 -14.934 -22.692 1.00 10.13 C ATOM 617 CE1 PHE A 58 9.877 -15.538 -24.428 1.00 10.24 C ATOM 618 CE2 PHE A 58 10.656 -15.128 -22.205 1.00 54.32 C ATOM 619 CZ PHE A 58 9.625 -15.429 -23.074 1.00 53.32 C ATOM 0 H PHE A 58 14.155 -17.072 -23.706 1.00 22.24 H new ATOM 0 HA PHE A 58 13.276 -16.237 -26.165 1.00 63.32 H new ATOM 0 HB2 PHE A 58 14.277 -14.729 -23.733 1.00 41.31 H new ATOM 0 HB3 PHE A 58 13.624 -13.891 -25.127 1.00 41.31 H new ATOM 0 HD1 PHE A 58 11.350 -15.429 -25.967 1.00 74.44 H new ATOM 0 HD2 PHE A 58 12.736 -14.698 -22.008 1.00 10.13 H new ATOM 0 HE1 PHE A 58 9.074 -15.775 -25.110 1.00 10.24 H new ATOM 0 HE2 PHE A 58 10.463 -15.044 -21.146 1.00 54.32 H new ATOM 0 HZ PHE A 58 8.625 -15.579 -22.696 1.00 53.32 H new ATOM 629 N SER A 59 16.434 -15.408 -25.656 1.00 34.10 N ATOM 630 CA SER A 59 17.652 -14.968 -26.324 1.00 44.43 C ATOM 631 C SER A 59 17.894 -15.770 -27.598 1.00 43.13 C ATOM 632 O SER A 59 18.139 -15.205 -28.664 1.00 64.21 O ATOM 633 CB SER A 59 18.852 -15.106 -25.385 1.00 24.11 C ATOM 634 OG SER A 59 19.733 -14.004 -25.518 1.00 45.01 O ATOM 0 H SER A 59 16.554 -15.641 -24.670 1.00 34.10 H new ATOM 0 HA SER A 59 17.530 -13.919 -26.594 1.00 44.43 H new ATOM 0 HB2 SER A 59 18.505 -15.176 -24.354 1.00 24.11 H new ATOM 0 HB3 SER A 59 19.385 -16.031 -25.605 1.00 24.11 H new ATOM 0 HG SER A 59 20.491 -14.115 -24.906 1.00 45.01 H new ATOM 640 N SER A 60 17.822 -17.092 -27.480 1.00 61.34 N ATOM 641 CA SER A 60 18.038 -17.974 -28.621 1.00 54.14 C ATOM 642 C SER A 60 16.800 -18.020 -29.513 1.00 31.45 C ATOM 643 O SER A 60 16.812 -18.634 -30.580 1.00 61.54 O ATOM 644 CB SER A 60 18.388 -19.385 -28.144 1.00 2.04 C ATOM 645 OG SER A 60 18.678 -20.237 -29.238 1.00 71.12 O ATOM 0 H SER A 60 17.616 -17.576 -26.606 1.00 61.34 H new ATOM 0 HA SER A 60 18.871 -17.578 -29.202 1.00 54.14 H new ATOM 0 HB2 SER A 60 19.247 -19.343 -27.474 1.00 2.04 H new ATOM 0 HB3 SER A 60 17.557 -19.795 -27.571 1.00 2.04 H new ATOM 0 HG SER A 60 18.078 -20.027 -29.984 1.00 71.12 H new ATOM 651 N LEU A 61 15.733 -17.368 -29.066 1.00 74.21 N ATOM 652 CA LEU A 61 14.486 -17.333 -29.822 1.00 73.13 C ATOM 653 C LEU A 61 14.444 -16.122 -30.748 1.00 51.05 C ATOM 654 O LEU A 61 13.396 -15.784 -31.298 1.00 51.32 O ATOM 655 CB LEU A 61 13.290 -17.303 -28.870 1.00 33.15 C ATOM 656 CG LEU A 61 12.104 -18.189 -29.253 1.00 31.52 C ATOM 657 CD1 LEU A 61 11.814 -18.080 -30.742 1.00 2.40 C ATOM 658 CD2 LEU A 61 12.372 -19.636 -28.865 1.00 55.42 C ATOM 0 H LEU A 61 15.706 -16.856 -28.184 1.00 74.21 H new ATOM 0 HA LEU A 61 14.434 -18.235 -30.432 1.00 73.13 H new ATOM 0 HB2 LEU A 61 13.633 -17.598 -27.878 1.00 33.15 H new ATOM 0 HB3 LEU A 61 12.939 -16.274 -28.792 1.00 33.15 H new ATOM 0 HG LEU A 61 11.226 -17.843 -28.707 1.00 31.52 H new ATOM 0 HD11 LEU A 61 10.967 -18.718 -30.995 1.00 2.40 H new ATOM 0 HD12 LEU A 61 11.577 -17.046 -30.992 1.00 2.40 H new ATOM 0 HD13 LEU A 61 12.690 -18.398 -31.308 1.00 2.40 H new ATOM 0 HD21 LEU A 61 11.517 -20.252 -29.145 1.00 55.42 H new ATOM 0 HD22 LEU A 61 13.262 -19.993 -29.383 1.00 55.42 H new ATOM 0 HD23 LEU A 61 12.529 -19.701 -27.788 1.00 55.42 H new ATOM 670 N GLY A 62 15.591 -15.473 -30.919 1.00 23.21 N ATOM 671 CA GLY A 62 15.665 -14.307 -31.780 1.00 73.35 C ATOM 672 C GLY A 62 14.859 -13.140 -31.246 1.00 73.35 C ATOM 673 O GLY A 62 14.671 -12.139 -31.938 1.00 12.14 O ATOM 0 H GLY A 62 16.472 -15.734 -30.476 1.00 23.21 H new ATOM 0 HA2 GLY A 62 16.707 -14.005 -31.889 1.00 73.35 H new ATOM 0 HA3 GLY A 62 15.303 -14.570 -32.774 1.00 73.35 H new ATOM 677 N VAL A 63 14.378 -13.269 -30.014 1.00 45.20 N ATOM 678 CA VAL A 63 13.587 -12.217 -29.387 1.00 53.41 C ATOM 679 C VAL A 63 14.349 -11.566 -28.238 1.00 73.10 C ATOM 680 O VAL A 63 15.094 -12.231 -27.518 1.00 70.30 O ATOM 681 CB VAL A 63 12.247 -12.761 -28.858 1.00 61.21 C ATOM 682 CG1 VAL A 63 12.407 -13.285 -27.439 1.00 11.24 C ATOM 683 CG2 VAL A 63 11.173 -11.686 -28.921 1.00 63.24 C ATOM 0 H VAL A 63 14.522 -14.092 -29.430 1.00 45.20 H new ATOM 0 HA VAL A 63 13.389 -11.470 -30.156 1.00 53.41 H new ATOM 0 HB VAL A 63 11.935 -13.590 -29.493 1.00 61.21 H new ATOM 0 HG11 VAL A 63 11.450 -13.665 -27.082 1.00 11.24 H new ATOM 0 HG12 VAL A 63 13.144 -14.088 -27.429 1.00 11.24 H new ATOM 0 HG13 VAL A 63 12.742 -12.477 -26.788 1.00 11.24 H new ATOM 0 HG21 VAL A 63 10.233 -12.088 -28.543 1.00 63.24 H new ATOM 0 HG22 VAL A 63 11.474 -10.834 -28.311 1.00 63.24 H new ATOM 0 HG23 VAL A 63 11.041 -11.364 -29.954 1.00 63.24 H new ATOM 693 N VAL A 64 14.156 -10.262 -28.071 1.00 32.43 N ATOM 694 CA VAL A 64 14.824 -9.521 -27.007 1.00 71.33 C ATOM 695 C VAL A 64 13.974 -9.491 -25.742 1.00 24.55 C ATOM 696 O VAL A 64 12.746 -9.542 -25.804 1.00 24.32 O ATOM 697 CB VAL A 64 15.132 -8.074 -27.438 1.00 72.33 C ATOM 698 CG1 VAL A 64 16.004 -7.382 -26.402 1.00 74.43 C ATOM 699 CG2 VAL A 64 15.799 -8.057 -28.806 1.00 24.52 C ATOM 0 H VAL A 64 13.543 -9.697 -28.658 1.00 32.43 H new ATOM 0 HA VAL A 64 15.761 -10.039 -26.801 1.00 71.33 H new ATOM 0 HB VAL A 64 14.192 -7.527 -27.510 1.00 72.33 H new ATOM 0 HG11 VAL A 64 16.211 -6.361 -26.724 1.00 74.43 H new ATOM 0 HG12 VAL A 64 15.485 -7.362 -25.444 1.00 74.43 H new ATOM 0 HG13 VAL A 64 16.943 -7.926 -26.295 1.00 74.43 H new ATOM 0 HG21 VAL A 64 16.010 -7.027 -29.095 1.00 24.52 H new ATOM 0 HG22 VAL A 64 16.731 -8.620 -28.763 1.00 24.52 H new ATOM 0 HG23 VAL A 64 15.134 -8.511 -29.541 1.00 24.52 H new ATOM 709 N TYR A 65 14.638 -9.410 -24.593 1.00 55.52 N ATOM 710 CA TYR A 65 13.944 -9.376 -23.311 1.00 15.41 C ATOM 711 C TYR A 65 14.726 -8.556 -22.290 1.00 44.42 C ATOM 712 O TYR A 65 15.859 -8.148 -22.541 1.00 23.00 O ATOM 713 CB TYR A 65 13.731 -10.797 -22.785 1.00 52.42 C ATOM 714 CG TYR A 65 15.018 -11.542 -22.515 1.00 45.43 C ATOM 715 CD1 TYR A 65 15.736 -11.328 -21.345 1.00 42.53 C ATOM 716 CD2 TYR A 65 15.518 -12.459 -23.432 1.00 14.43 C ATOM 717 CE1 TYR A 65 16.913 -12.006 -21.095 1.00 44.02 C ATOM 718 CE2 TYR A 65 16.693 -13.143 -23.189 1.00 40.32 C ATOM 719 CZ TYR A 65 17.387 -12.912 -22.020 1.00 64.33 C ATOM 720 OH TYR A 65 18.560 -13.591 -21.776 1.00 14.52 O ATOM 0 H TYR A 65 15.655 -9.367 -24.524 1.00 55.52 H new ATOM 0 HA TYR A 65 12.974 -8.903 -23.464 1.00 15.41 H new ATOM 0 HB2 TYR A 65 13.148 -10.751 -21.865 1.00 52.42 H new ATOM 0 HB3 TYR A 65 13.141 -11.359 -23.509 1.00 52.42 H new ATOM 0 HD1 TYR A 65 15.367 -10.619 -20.618 1.00 42.53 H new ATOM 0 HD2 TYR A 65 14.979 -12.640 -24.350 1.00 14.43 H new ATOM 0 HE1 TYR A 65 17.459 -11.828 -20.180 1.00 44.02 H new ATOM 0 HE2 TYR A 65 17.066 -13.855 -23.910 1.00 40.32 H new ATOM 0 HH TYR A 65 18.472 -14.517 -22.084 1.00 14.52 H new ATOM 730 N ASN A 66 14.111 -8.317 -21.136 1.00 11.11 N ATOM 731 CA ASN A 66 14.748 -7.545 -20.076 1.00 4.33 C ATOM 732 C ASN A 66 15.200 -8.455 -18.936 1.00 75.13 C ATOM 733 O ASN A 66 14.499 -9.399 -18.568 1.00 44.34 O ATOM 734 CB ASN A 66 13.787 -6.481 -19.543 1.00 3.35 C ATOM 735 CG ASN A 66 14.491 -5.177 -19.219 1.00 11.20 C ATOM 736 OD1 ASN A 66 15.674 -5.164 -18.881 1.00 32.33 O ATOM 737 ND2 ASN A 66 13.763 -4.070 -19.322 1.00 61.52 N ATOM 0 H ASN A 66 13.172 -8.647 -20.912 1.00 11.11 H new ATOM 0 HA ASN A 66 15.626 -7.054 -20.496 1.00 4.33 H new ATOM 0 HB2 ASN A 66 13.008 -6.296 -20.282 1.00 3.35 H new ATOM 0 HB3 ASN A 66 13.294 -6.857 -18.647 1.00 3.35 H new ATOM 0 HD21 ASN A 66 14.182 -3.163 -19.117 1.00 61.52 H new ATOM 0 HD22 ASN A 66 12.785 -4.127 -19.606 1.00 61.52 H new ATOM 744 N ILE A 67 16.372 -8.163 -18.382 1.00 73.20 N ATOM 745 CA ILE A 67 16.915 -8.954 -17.285 1.00 54.50 C ATOM 746 C ILE A 67 16.766 -8.222 -15.955 1.00 41.32 C ATOM 747 O ILE A 67 17.408 -7.197 -15.723 1.00 14.04 O ATOM 748 CB ILE A 67 18.402 -9.285 -17.512 1.00 34.00 C ATOM 749 CG1 ILE A 67 18.612 -9.841 -18.922 1.00 23.14 C ATOM 750 CG2 ILE A 67 18.887 -10.279 -16.467 1.00 44.30 C ATOM 751 CD1 ILE A 67 19.425 -8.929 -19.814 1.00 61.42 C ATOM 0 H ILE A 67 16.963 -7.385 -18.675 1.00 73.20 H new ATOM 0 HA ILE A 67 16.346 -9.883 -17.253 1.00 54.50 H new ATOM 0 HB ILE A 67 18.984 -8.369 -17.412 1.00 34.00 H new ATOM 0 HG12 ILE A 67 19.111 -10.808 -18.852 1.00 23.14 H new ATOM 0 HG13 ILE A 67 17.640 -10.016 -19.384 1.00 23.14 H new ATOM 0 HG21 ILE A 67 19.939 -10.504 -16.640 1.00 44.30 H new ATOM 0 HG22 ILE A 67 18.766 -9.849 -15.473 1.00 44.30 H new ATOM 0 HG23 ILE A 67 18.303 -11.197 -16.539 1.00 44.30 H new ATOM 0 HD11 ILE A 67 19.535 -9.385 -20.798 1.00 61.42 H new ATOM 0 HD12 ILE A 67 18.917 -7.970 -19.914 1.00 61.42 H new ATOM 0 HD13 ILE A 67 20.410 -8.774 -19.374 1.00 61.42 H new ATOM 763 N LEU A 68 15.918 -8.757 -15.083 1.00 41.54 N ATOM 764 CA LEU A 68 15.685 -8.157 -13.775 1.00 5.32 C ATOM 765 C LEU A 68 15.862 -9.187 -12.664 1.00 2.45 C ATOM 766 O LEU A 68 15.311 -10.285 -12.730 1.00 43.12 O ATOM 767 CB LEU A 68 14.281 -7.555 -13.709 1.00 33.14 C ATOM 768 CG LEU A 68 13.845 -6.735 -14.923 1.00 14.23 C ATOM 769 CD1 LEU A 68 14.952 -5.784 -15.350 1.00 14.44 C ATOM 770 CD2 LEU A 68 13.452 -7.650 -16.074 1.00 22.45 C ATOM 0 H LEU A 68 15.380 -9.606 -15.259 1.00 41.54 H new ATOM 0 HA LEU A 68 16.419 -7.364 -13.631 1.00 5.32 H new ATOM 0 HB2 LEU A 68 13.566 -8.366 -13.567 1.00 33.14 H new ATOM 0 HB3 LEU A 68 14.221 -6.919 -12.826 1.00 33.14 H new ATOM 0 HG LEU A 68 12.973 -6.144 -14.643 1.00 14.23 H new ATOM 0 HD11 LEU A 68 14.624 -5.209 -16.216 1.00 14.44 H new ATOM 0 HD12 LEU A 68 15.185 -5.105 -14.530 1.00 14.44 H new ATOM 0 HD13 LEU A 68 15.842 -6.356 -15.611 1.00 14.44 H new ATOM 0 HD21 LEU A 68 13.145 -7.048 -16.929 1.00 22.45 H new ATOM 0 HD22 LEU A 68 14.304 -8.269 -16.354 1.00 22.45 H new ATOM 0 HD23 LEU A 68 12.625 -8.289 -15.765 1.00 22.45 H new ATOM 782 N GLU A 69 16.634 -8.824 -11.644 1.00 14.55 N ATOM 783 CA GLU A 69 16.882 -9.717 -10.518 1.00 33.11 C ATOM 784 C GLU A 69 16.234 -9.180 -9.245 1.00 0.12 C ATOM 785 O GLU A 69 16.700 -8.199 -8.663 1.00 52.15 O ATOM 786 CB GLU A 69 18.386 -9.896 -10.302 1.00 40.34 C ATOM 787 CG GLU A 69 19.173 -8.600 -10.397 1.00 44.12 C ATOM 788 CD GLU A 69 19.636 -8.301 -11.810 1.00 42.33 C ATOM 789 OE1 GLU A 69 20.717 -8.792 -12.198 1.00 33.05 O ATOM 790 OE2 GLU A 69 18.916 -7.575 -12.528 1.00 24.21 O ATOM 0 H GLU A 69 17.098 -7.918 -11.574 1.00 14.55 H new ATOM 0 HA GLU A 69 16.438 -10.685 -10.750 1.00 33.11 H new ATOM 0 HB2 GLU A 69 18.553 -10.342 -9.321 1.00 40.34 H new ATOM 0 HB3 GLU A 69 18.770 -10.599 -11.041 1.00 40.34 H new ATOM 0 HG2 GLU A 69 18.555 -7.777 -10.039 1.00 44.12 H new ATOM 0 HG3 GLU A 69 20.040 -8.657 -9.739 1.00 44.12 H new ATOM 797 N LEU A 70 15.157 -9.829 -8.817 1.00 41.23 N ATOM 798 CA LEU A 70 14.444 -9.418 -7.613 1.00 2.33 C ATOM 799 C LEU A 70 15.311 -9.612 -6.373 1.00 45.12 C ATOM 800 O LEU A 70 14.995 -9.105 -5.297 1.00 21.01 O ATOM 801 CB LEU A 70 13.145 -10.213 -7.469 1.00 40.53 C ATOM 802 CG LEU A 70 13.225 -11.700 -7.817 1.00 63.01 C ATOM 803 CD1 LEU A 70 12.754 -12.547 -6.646 1.00 21.41 C ATOM 804 CD2 LEU A 70 12.404 -12.001 -9.061 1.00 35.50 C ATOM 0 H LEU A 70 14.758 -10.642 -9.286 1.00 41.23 H new ATOM 0 HA LEU A 70 14.207 -8.358 -7.706 1.00 2.33 H new ATOM 0 HB2 LEU A 70 12.798 -10.120 -6.440 1.00 40.53 H new ATOM 0 HB3 LEU A 70 12.388 -9.752 -8.104 1.00 40.53 H new ATOM 0 HG LEU A 70 14.265 -11.950 -8.024 1.00 63.01 H new ATOM 0 HD11 LEU A 70 12.818 -13.602 -6.911 1.00 21.41 H new ATOM 0 HD12 LEU A 70 13.385 -12.352 -5.779 1.00 21.41 H new ATOM 0 HD13 LEU A 70 11.721 -12.295 -6.407 1.00 21.41 H new ATOM 0 HD21 LEU A 70 12.473 -13.064 -9.294 1.00 35.50 H new ATOM 0 HD22 LEU A 70 11.362 -11.735 -8.882 1.00 35.50 H new ATOM 0 HD23 LEU A 70 12.788 -11.420 -9.900 1.00 35.50 H new ATOM 816 N ASP A 71 16.407 -10.346 -6.533 1.00 22.31 N ATOM 817 CA ASP A 71 17.323 -10.604 -5.428 1.00 61.02 C ATOM 818 C ASP A 71 18.284 -9.435 -5.234 1.00 71.11 C ATOM 819 O ASP A 71 19.092 -9.432 -4.306 1.00 15.12 O ATOM 820 CB ASP A 71 18.110 -11.891 -5.679 1.00 53.05 C ATOM 821 CG ASP A 71 18.200 -12.765 -4.445 1.00 34.42 C ATOM 822 OD1 ASP A 71 17.227 -12.787 -3.660 1.00 63.43 O ATOM 823 OD2 ASP A 71 19.241 -13.429 -4.262 1.00 11.44 O ATOM 0 H ASP A 71 16.683 -10.773 -7.417 1.00 22.31 H new ATOM 0 HA ASP A 71 16.732 -10.720 -4.519 1.00 61.02 H new ATOM 0 HB2 ASP A 71 17.636 -12.452 -6.484 1.00 53.05 H new ATOM 0 HB3 ASP A 71 19.115 -11.639 -6.016 1.00 53.05 H new ATOM 828 N GLN A 72 18.190 -8.447 -6.117 1.00 55.52 N ATOM 829 CA GLN A 72 19.052 -7.273 -6.043 1.00 44.44 C ATOM 830 C GLN A 72 18.230 -6.004 -5.841 1.00 63.21 C ATOM 831 O GLN A 72 18.720 -5.016 -5.295 1.00 53.52 O ATOM 832 CB GLN A 72 19.894 -7.151 -7.315 1.00 21.32 C ATOM 833 CG GLN A 72 21.012 -8.177 -7.404 1.00 41.14 C ATOM 834 CD GLN A 72 22.209 -7.668 -8.183 1.00 22.02 C ATOM 835 OE1 GLN A 72 22.106 -6.708 -8.946 1.00 71.23 O ATOM 836 NE2 GLN A 72 23.356 -8.311 -7.993 1.00 61.04 N ATOM 0 H GLN A 72 17.526 -8.435 -6.892 1.00 55.52 H new ATOM 0 HA GLN A 72 19.715 -7.395 -5.186 1.00 44.44 H new ATOM 0 HB2 GLN A 72 19.244 -7.258 -8.183 1.00 21.32 H new ATOM 0 HB3 GLN A 72 20.325 -6.151 -7.361 1.00 21.32 H new ATOM 0 HG2 GLN A 72 21.328 -8.453 -6.398 1.00 41.14 H new ATOM 0 HG3 GLN A 72 20.633 -9.082 -7.878 1.00 41.14 H new ATOM 0 HE21 GLN A 72 23.397 -9.102 -7.351 1.00 61.04 H new ATOM 0 HE22 GLN A 72 24.196 -8.013 -8.489 1.00 61.04 H new ATOM 845 N VAL A 73 16.977 -6.039 -6.284 1.00 64.55 N ATOM 846 CA VAL A 73 16.086 -4.894 -6.151 1.00 44.51 C ATOM 847 C VAL A 73 15.899 -4.511 -4.688 1.00 1.22 C ATOM 848 O VAL A 73 16.554 -5.061 -3.802 1.00 71.22 O ATOM 849 CB VAL A 73 14.708 -5.178 -6.776 1.00 70.44 C ATOM 850 CG1 VAL A 73 14.858 -5.595 -8.232 1.00 73.31 C ATOM 851 CG2 VAL A 73 13.973 -6.246 -5.981 1.00 15.32 C ATOM 0 H VAL A 73 16.556 -6.849 -6.739 1.00 64.55 H new ATOM 0 HA VAL A 73 16.554 -4.066 -6.684 1.00 44.51 H new ATOM 0 HB VAL A 73 14.118 -4.262 -6.744 1.00 70.44 H new ATOM 0 HG11 VAL A 73 13.874 -5.792 -8.657 1.00 73.31 H new ATOM 0 HG12 VAL A 73 15.342 -4.795 -8.792 1.00 73.31 H new ATOM 0 HG13 VAL A 73 15.466 -6.498 -8.291 1.00 73.31 H new ATOM 0 HG21 VAL A 73 13.001 -6.434 -6.437 1.00 15.32 H new ATOM 0 HG22 VAL A 73 14.558 -7.166 -5.980 1.00 15.32 H new ATOM 0 HG23 VAL A 73 13.833 -5.904 -4.955 1.00 15.32 H new ATOM 861 N ASP A 74 15.001 -3.564 -4.440 1.00 41.33 N ATOM 862 CA ASP A 74 14.725 -3.107 -3.083 1.00 31.11 C ATOM 863 C ASP A 74 13.547 -3.868 -2.483 1.00 21.35 C ATOM 864 O ASP A 74 13.528 -4.160 -1.286 1.00 64.54 O ATOM 865 CB ASP A 74 14.435 -1.606 -3.076 1.00 55.12 C ATOM 866 CG ASP A 74 15.697 -0.773 -2.979 1.00 25.02 C ATOM 867 OD1 ASP A 74 16.380 -0.849 -1.936 1.00 2.52 O ATOM 868 OD2 ASP A 74 16.003 -0.044 -3.946 1.00 5.33 O ATOM 0 H ASP A 74 14.451 -3.098 -5.162 1.00 41.33 H new ATOM 0 HA ASP A 74 15.608 -3.301 -2.474 1.00 31.11 H new ATOM 0 HB2 ASP A 74 13.896 -1.339 -3.985 1.00 55.12 H new ATOM 0 HB3 ASP A 74 13.781 -1.369 -2.236 1.00 55.12 H new ATOM 873 N ASP A 75 12.566 -4.185 -3.319 1.00 54.35 N ATOM 874 CA ASP A 75 11.383 -4.912 -2.872 1.00 3.41 C ATOM 875 C ASP A 75 11.538 -6.409 -3.121 1.00 50.42 C ATOM 876 O ASP A 75 10.556 -7.119 -3.331 1.00 3.42 O ATOM 877 CB ASP A 75 10.135 -4.390 -3.588 1.00 25.01 C ATOM 878 CG ASP A 75 10.195 -2.895 -3.839 1.00 30.31 C ATOM 879 OD1 ASP A 75 10.579 -2.152 -2.912 1.00 23.05 O ATOM 880 OD2 ASP A 75 9.858 -2.470 -4.963 1.00 71.33 O ATOM 0 H ASP A 75 12.566 -3.950 -4.312 1.00 54.35 H new ATOM 0 HA ASP A 75 11.272 -4.750 -1.800 1.00 3.41 H new ATOM 0 HB2 ASP A 75 10.020 -4.911 -4.539 1.00 25.01 H new ATOM 0 HB3 ASP A 75 9.253 -4.620 -2.990 1.00 25.01 H new ATOM 885 N GLY A 76 12.780 -6.882 -3.097 1.00 45.33 N ATOM 886 CA GLY A 76 13.042 -8.290 -3.324 1.00 23.43 C ATOM 887 C GLY A 76 12.193 -9.186 -2.445 1.00 35.21 C ATOM 888 O GLY A 76 11.998 -10.362 -2.749 1.00 62.43 O ATOM 0 H GLY A 76 13.610 -6.314 -2.924 1.00 45.33 H new ATOM 0 HA2 GLY A 76 12.852 -8.528 -4.371 1.00 23.43 H new ATOM 0 HA3 GLY A 76 14.096 -8.495 -3.136 1.00 23.43 H new ATOM 892 N ALA A 77 11.687 -8.630 -1.349 1.00 52.44 N ATOM 893 CA ALA A 77 10.853 -9.386 -0.423 1.00 32.05 C ATOM 894 C ALA A 77 9.426 -9.509 -0.944 1.00 52.45 C ATOM 895 O ALA A 77 8.912 -10.614 -1.120 1.00 15.41 O ATOM 896 CB ALA A 77 10.861 -8.731 0.950 1.00 30.14 C ATOM 0 H ALA A 77 11.840 -7.658 -1.081 1.00 52.44 H new ATOM 0 HA ALA A 77 11.268 -10.390 -0.337 1.00 32.05 H new ATOM 0 HB1 ALA A 77 10.234 -9.306 1.631 1.00 30.14 H new ATOM 0 HB2 ALA A 77 11.881 -8.701 1.333 1.00 30.14 H new ATOM 0 HB3 ALA A 77 10.474 -7.715 0.871 1.00 30.14 H new ATOM 902 N SER A 78 8.790 -8.368 -1.188 1.00 53.24 N ATOM 903 CA SER A 78 7.418 -8.347 -1.686 1.00 24.34 C ATOM 904 C SER A 78 7.368 -8.751 -3.156 1.00 60.10 C ATOM 905 O SER A 78 6.554 -9.584 -3.555 1.00 22.31 O ATOM 906 CB SER A 78 6.810 -6.955 -1.506 1.00 74.45 C ATOM 907 OG SER A 78 7.809 -5.953 -1.540 1.00 3.23 O ATOM 0 H SER A 78 9.202 -7.445 -1.049 1.00 53.24 H new ATOM 0 HA SER A 78 6.836 -9.067 -1.110 1.00 24.34 H new ATOM 0 HB2 SER A 78 6.079 -6.770 -2.293 1.00 74.45 H new ATOM 0 HB3 SER A 78 6.276 -6.908 -0.557 1.00 74.45 H new ATOM 0 HG SER A 78 7.394 -5.073 -1.424 1.00 3.23 H new ATOM 913 N VAL A 79 8.244 -8.154 -3.958 1.00 10.31 N ATOM 914 CA VAL A 79 8.301 -8.451 -5.385 1.00 14.35 C ATOM 915 C VAL A 79 8.285 -9.956 -5.633 1.00 52.41 C ATOM 916 O VAL A 79 7.660 -10.430 -6.581 1.00 12.44 O ATOM 917 CB VAL A 79 9.560 -7.848 -6.034 1.00 21.03 C ATOM 918 CG1 VAL A 79 10.783 -8.696 -5.718 1.00 2.00 C ATOM 919 CG2 VAL A 79 9.371 -7.709 -7.537 1.00 34.22 C ATOM 0 H VAL A 79 8.924 -7.462 -3.644 1.00 10.31 H new ATOM 0 HA VAL A 79 7.418 -8.001 -5.838 1.00 14.35 H new ATOM 0 HB VAL A 79 9.720 -6.853 -5.618 1.00 21.03 H new ATOM 0 HG11 VAL A 79 11.663 -8.254 -6.185 1.00 2.00 H new ATOM 0 HG12 VAL A 79 10.928 -8.738 -4.638 1.00 2.00 H new ATOM 0 HG13 VAL A 79 10.636 -9.705 -6.104 1.00 2.00 H new ATOM 0 HG21 VAL A 79 10.271 -7.281 -7.979 1.00 34.22 H new ATOM 0 HG22 VAL A 79 9.184 -8.691 -7.973 1.00 34.22 H new ATOM 0 HG23 VAL A 79 8.522 -7.055 -7.738 1.00 34.22 H new ATOM 929 N GLN A 80 8.977 -10.698 -4.776 1.00 64.33 N ATOM 930 CA GLN A 80 9.042 -12.150 -4.904 1.00 1.44 C ATOM 931 C GLN A 80 7.877 -12.813 -4.177 1.00 41.13 C ATOM 932 O GLN A 80 7.472 -13.924 -4.519 1.00 1.12 O ATOM 933 CB GLN A 80 10.369 -12.673 -4.349 1.00 54.23 C ATOM 934 CG GLN A 80 10.687 -14.097 -4.775 1.00 63.01 C ATOM 935 CD GLN A 80 10.281 -15.121 -3.734 1.00 65.40 C ATOM 936 OE1 GLN A 80 9.439 -14.853 -2.877 1.00 4.44 O ATOM 937 NE2 GLN A 80 10.878 -16.305 -3.804 1.00 4.24 N ATOM 0 H GLN A 80 9.500 -10.320 -3.986 1.00 64.33 H new ATOM 0 HA GLN A 80 8.975 -12.400 -5.963 1.00 1.44 H new ATOM 0 HB2 GLN A 80 11.175 -12.016 -4.677 1.00 54.23 H new ATOM 0 HB3 GLN A 80 10.342 -12.626 -3.260 1.00 54.23 H new ATOM 0 HG2 GLN A 80 10.175 -14.315 -5.712 1.00 63.01 H new ATOM 0 HG3 GLN A 80 11.756 -14.185 -4.968 1.00 63.01 H new ATOM 0 HE21 GLN A 80 11.571 -16.485 -4.531 1.00 4.24 H new ATOM 0 HE22 GLN A 80 10.644 -17.035 -3.131 1.00 4.24 H new ATOM 946 N GLU A 81 7.344 -12.125 -3.173 1.00 34.13 N ATOM 947 CA GLU A 81 6.225 -12.650 -2.397 1.00 43.34 C ATOM 948 C GLU A 81 4.994 -12.838 -3.278 1.00 75.43 C ATOM 949 O GLU A 81 4.322 -13.868 -3.213 1.00 32.23 O ATOM 950 CB GLU A 81 5.895 -11.708 -1.236 1.00 24.42 C ATOM 951 CG GLU A 81 4.805 -12.235 -0.317 1.00 72.32 C ATOM 952 CD GLU A 81 4.882 -11.645 1.077 1.00 52.14 C ATOM 953 OE1 GLU A 81 4.323 -10.549 1.289 1.00 10.03 O ATOM 954 OE2 GLU A 81 5.501 -12.280 1.956 1.00 25.22 O ATOM 0 H GLU A 81 7.668 -11.204 -2.877 1.00 34.13 H new ATOM 0 HA GLU A 81 6.517 -13.621 -1.997 1.00 43.34 H new ATOM 0 HB2 GLU A 81 6.799 -11.534 -0.652 1.00 24.42 H new ATOM 0 HB3 GLU A 81 5.585 -10.744 -1.638 1.00 24.42 H new ATOM 0 HG2 GLU A 81 3.830 -12.010 -0.749 1.00 72.32 H new ATOM 0 HG3 GLU A 81 4.882 -13.320 -0.253 1.00 72.32 H new ATOM 961 N VAL A 82 4.703 -11.838 -4.102 1.00 44.44 N ATOM 962 CA VAL A 82 3.553 -11.892 -4.998 1.00 21.33 C ATOM 963 C VAL A 82 3.907 -12.595 -6.303 1.00 73.41 C ATOM 964 O VAL A 82 3.030 -13.092 -7.012 1.00 12.40 O ATOM 965 CB VAL A 82 3.020 -10.483 -5.315 1.00 3.51 C ATOM 966 CG1 VAL A 82 1.522 -10.523 -5.572 1.00 61.35 C ATOM 967 CG2 VAL A 82 3.349 -9.523 -4.181 1.00 15.33 C ATOM 0 H VAL A 82 5.248 -10.979 -4.168 1.00 44.44 H new ATOM 0 HA VAL A 82 2.777 -12.457 -4.482 1.00 21.33 H new ATOM 0 HB VAL A 82 3.509 -10.123 -6.220 1.00 3.51 H new ATOM 0 HG11 VAL A 82 1.164 -9.518 -5.794 1.00 61.35 H new ATOM 0 HG12 VAL A 82 1.315 -11.177 -6.419 1.00 61.35 H new ATOM 0 HG13 VAL A 82 1.011 -10.903 -4.687 1.00 61.35 H new ATOM 0 HG21 VAL A 82 2.965 -8.531 -4.421 1.00 15.33 H new ATOM 0 HG22 VAL A 82 2.888 -9.877 -3.259 1.00 15.33 H new ATOM 0 HG23 VAL A 82 4.430 -9.472 -4.050 1.00 15.33 H new ATOM 977 N LEU A 83 5.197 -12.637 -6.617 1.00 1.50 N ATOM 978 CA LEU A 83 5.668 -13.280 -7.838 1.00 71.21 C ATOM 979 C LEU A 83 5.691 -14.797 -7.681 1.00 32.55 C ATOM 980 O LEU A 83 5.223 -15.531 -8.552 1.00 0.45 O ATOM 981 CB LEU A 83 7.065 -12.772 -8.200 1.00 32.41 C ATOM 982 CG LEU A 83 7.123 -11.644 -9.230 1.00 62.30 C ATOM 983 CD1 LEU A 83 8.531 -11.076 -9.321 1.00 11.42 C ATOM 984 CD2 LEU A 83 6.658 -12.141 -10.592 1.00 24.22 C ATOM 0 H LEU A 83 5.936 -12.233 -6.042 1.00 1.50 H new ATOM 0 HA LEU A 83 4.977 -13.027 -8.642 1.00 71.21 H new ATOM 0 HB2 LEU A 83 7.553 -12.429 -7.288 1.00 32.41 H new ATOM 0 HB3 LEU A 83 7.649 -13.612 -8.577 1.00 32.41 H new ATOM 0 HG LEU A 83 6.452 -10.848 -8.907 1.00 62.30 H new ATOM 0 HD11 LEU A 83 8.553 -10.274 -10.059 1.00 11.42 H new ATOM 0 HD12 LEU A 83 8.828 -10.683 -8.349 1.00 11.42 H new ATOM 0 HD13 LEU A 83 9.222 -11.864 -9.620 1.00 11.42 H new ATOM 0 HD21 LEU A 83 6.706 -11.325 -11.313 1.00 24.22 H new ATOM 0 HD22 LEU A 83 7.303 -12.955 -10.922 1.00 24.22 H new ATOM 0 HD23 LEU A 83 5.631 -12.499 -10.517 1.00 24.22 H new ATOM 996 N THR A 84 6.237 -15.263 -6.560 1.00 43.34 N ATOM 997 CA THR A 84 6.320 -16.691 -6.288 1.00 22.32 C ATOM 998 C THR A 84 4.945 -17.345 -6.355 1.00 71.20 C ATOM 999 O THR A 84 4.831 -18.551 -6.572 1.00 12.50 O ATOM 1000 CB THR A 84 6.939 -16.963 -4.903 1.00 34.15 C ATOM 1001 OG1 THR A 84 8.348 -16.714 -4.937 1.00 42.44 O ATOM 1002 CG2 THR A 84 6.683 -18.399 -4.469 1.00 61.33 C ATOM 0 H THR A 84 6.628 -14.671 -5.827 1.00 43.34 H new ATOM 0 HA THR A 84 6.961 -17.123 -7.056 1.00 22.32 H new ATOM 0 HB THR A 84 6.470 -16.293 -4.183 1.00 34.15 H new ATOM 0 HG1 THR A 84 8.831 -17.535 -4.705 1.00 42.44 H new ATOM 0 HG21 THR A 84 7.129 -18.568 -3.489 1.00 61.33 H new ATOM 0 HG22 THR A 84 5.609 -18.577 -4.414 1.00 61.33 H new ATOM 0 HG23 THR A 84 7.127 -19.082 -5.192 1.00 61.33 H new ATOM 1010 N GLU A 85 3.902 -16.542 -6.167 1.00 5.42 N ATOM 1011 CA GLU A 85 2.534 -17.043 -6.206 1.00 61.22 C ATOM 1012 C GLU A 85 2.018 -17.102 -7.642 1.00 23.52 C ATOM 1013 O GLU A 85 1.068 -17.827 -7.941 1.00 11.14 O ATOM 1014 CB GLU A 85 1.618 -16.159 -5.360 1.00 14.45 C ATOM 1015 CG GLU A 85 1.136 -16.827 -4.083 1.00 15.21 C ATOM 1016 CD GLU A 85 2.040 -16.544 -2.899 1.00 41.31 C ATOM 1017 OE1 GLU A 85 1.815 -15.527 -2.209 1.00 74.23 O ATOM 1018 OE2 GLU A 85 2.973 -17.340 -2.662 1.00 13.42 O ATOM 0 H GLU A 85 3.979 -15.541 -5.986 1.00 5.42 H new ATOM 0 HA GLU A 85 2.532 -18.052 -5.795 1.00 61.22 H new ATOM 0 HB2 GLU A 85 2.149 -15.242 -5.102 1.00 14.45 H new ATOM 0 HB3 GLU A 85 0.753 -15.870 -5.957 1.00 14.45 H new ATOM 0 HG2 GLU A 85 0.127 -16.482 -3.856 1.00 15.21 H new ATOM 0 HG3 GLU A 85 1.077 -17.904 -4.241 1.00 15.21 H new ATOM 1025 N ILE A 86 2.650 -16.337 -8.523 1.00 41.54 N ATOM 1026 CA ILE A 86 2.256 -16.302 -9.926 1.00 61.43 C ATOM 1027 C ILE A 86 2.481 -17.655 -10.594 1.00 3.33 C ATOM 1028 O ILE A 86 1.676 -18.096 -11.415 1.00 13.53 O ATOM 1029 CB ILE A 86 3.033 -15.223 -10.703 1.00 12.31 C ATOM 1030 CG1 ILE A 86 2.763 -13.840 -10.106 1.00 41.21 C ATOM 1031 CG2 ILE A 86 2.652 -15.254 -12.176 1.00 53.42 C ATOM 1032 CD1 ILE A 86 3.327 -12.705 -10.932 1.00 12.21 C ATOM 0 H ILE A 86 3.438 -15.732 -8.291 1.00 41.54 H new ATOM 0 HA ILE A 86 1.194 -16.060 -9.949 1.00 61.43 H new ATOM 0 HB ILE A 86 4.099 -15.432 -10.619 1.00 12.31 H new ATOM 0 HG12 ILE A 86 1.687 -13.702 -10.001 1.00 41.21 H new ATOM 0 HG13 ILE A 86 3.189 -13.796 -9.104 1.00 41.21 H new ATOM 0 HG21 ILE A 86 3.209 -14.486 -12.712 1.00 53.42 H new ATOM 0 HG22 ILE A 86 2.890 -16.233 -12.593 1.00 53.42 H new ATOM 0 HG23 ILE A 86 1.583 -15.066 -12.279 1.00 53.42 H new ATOM 0 HD11 ILE A 86 3.098 -11.755 -10.449 1.00 12.21 H new ATOM 0 HD12 ILE A 86 4.408 -12.818 -11.016 1.00 12.21 H new ATOM 0 HD13 ILE A 86 2.882 -12.723 -11.927 1.00 12.21 H new ATOM 1044 N SER A 87 3.581 -18.309 -10.235 1.00 71.42 N ATOM 1045 CA SER A 87 3.914 -19.611 -10.802 1.00 30.43 C ATOM 1046 C SER A 87 3.899 -20.692 -9.724 1.00 4.32 C ATOM 1047 O SER A 87 3.892 -21.885 -10.025 1.00 51.34 O ATOM 1048 CB SER A 87 5.288 -19.563 -11.474 1.00 34.33 C ATOM 1049 OG SER A 87 5.217 -20.026 -12.811 1.00 51.10 O ATOM 0 H SER A 87 4.256 -17.959 -9.555 1.00 71.42 H new ATOM 0 HA SER A 87 3.161 -19.857 -11.550 1.00 30.43 H new ATOM 0 HB2 SER A 87 5.668 -18.542 -11.459 1.00 34.33 H new ATOM 0 HB3 SER A 87 5.993 -20.174 -10.911 1.00 34.33 H new ATOM 0 HG SER A 87 6.063 -19.837 -13.268 1.00 51.10 H new ATOM 1055 N ASN A 88 3.898 -20.263 -8.466 1.00 34.22 N ATOM 1056 CA ASN A 88 3.885 -21.193 -7.341 1.00 44.25 C ATOM 1057 C ASN A 88 5.049 -22.175 -7.436 1.00 10.12 C ATOM 1058 O ASN A 88 4.896 -23.362 -7.147 1.00 3.21 O ATOM 1059 CB ASN A 88 2.561 -21.957 -7.299 1.00 60.23 C ATOM 1060 CG ASN A 88 2.116 -22.265 -5.883 1.00 62.30 C ATOM 1061 OD1 ASN A 88 2.518 -21.591 -4.934 1.00 34.13 O ATOM 1062 ND2 ASN A 88 1.281 -23.287 -5.734 1.00 31.32 N ATOM 0 H ASN A 88 3.906 -19.278 -8.199 1.00 34.22 H new ATOM 0 HA ASN A 88 3.992 -20.616 -6.423 1.00 44.25 H new ATOM 0 HB2 ASN A 88 1.790 -21.371 -7.800 1.00 60.23 H new ATOM 0 HB3 ASN A 88 2.665 -22.889 -7.855 1.00 60.23 H new ATOM 0 HD21 ASN A 88 0.947 -23.541 -4.804 1.00 31.32 H new ATOM 0 HD22 ASN A 88 0.974 -23.818 -6.549 1.00 31.32 H new ATOM 1069 N GLN A 89 6.210 -21.672 -7.841 1.00 41.34 N ATOM 1070 CA GLN A 89 7.399 -22.505 -7.973 1.00 62.34 C ATOM 1071 C GLN A 89 8.498 -22.041 -7.023 1.00 41.24 C ATOM 1072 O GLN A 89 8.587 -20.858 -6.690 1.00 63.42 O ATOM 1073 CB GLN A 89 7.911 -22.476 -9.415 1.00 31.42 C ATOM 1074 CG GLN A 89 7.377 -23.612 -10.273 1.00 23.34 C ATOM 1075 CD GLN A 89 6.399 -23.137 -11.329 1.00 30.12 C ATOM 1076 OE1 GLN A 89 5.292 -23.663 -11.448 1.00 52.23 O ATOM 1077 NE2 GLN A 89 6.804 -22.137 -12.103 1.00 14.43 N ATOM 0 H GLN A 89 6.353 -20.692 -8.083 1.00 41.34 H new ATOM 0 HA GLN A 89 7.125 -23.527 -7.712 1.00 62.34 H new ATOM 0 HB2 GLN A 89 7.634 -21.526 -9.871 1.00 31.42 H new ATOM 0 HB3 GLN A 89 9.000 -22.519 -9.406 1.00 31.42 H new ATOM 0 HG2 GLN A 89 8.211 -24.119 -10.758 1.00 23.34 H new ATOM 0 HG3 GLN A 89 6.887 -24.346 -9.633 1.00 23.34 H new ATOM 0 HE21 GLN A 89 7.730 -21.731 -11.969 1.00 14.43 H new ATOM 0 HE22 GLN A 89 6.189 -21.775 -12.832 1.00 14.43 H new ATOM 1086 N LYS A 90 9.332 -22.979 -6.588 1.00 42.20 N ATOM 1087 CA LYS A 90 10.427 -22.667 -5.676 1.00 12.11 C ATOM 1088 C LYS A 90 11.182 -21.424 -6.137 1.00 74.33 C ATOM 1089 O LYS A 90 11.443 -20.515 -5.349 1.00 14.00 O ATOM 1090 CB LYS A 90 11.388 -23.854 -5.575 1.00 42.40 C ATOM 1091 CG LYS A 90 11.827 -24.163 -4.154 1.00 54.54 C ATOM 1092 CD LYS A 90 12.845 -25.289 -4.117 1.00 72.05 C ATOM 1093 CE LYS A 90 13.187 -25.684 -2.689 1.00 62.14 C ATOM 1094 NZ LYS A 90 13.568 -27.120 -2.587 1.00 70.22 N ATOM 0 H LYS A 90 9.271 -23.962 -6.852 1.00 42.20 H new ATOM 0 HA LYS A 90 10.002 -22.468 -4.692 1.00 12.11 H new ATOM 0 HB2 LYS A 90 10.908 -24.736 -5.998 1.00 42.40 H new ATOM 0 HB3 LYS A 90 12.270 -23.649 -6.182 1.00 42.40 H new ATOM 0 HG2 LYS A 90 12.256 -23.269 -3.702 1.00 54.54 H new ATOM 0 HG3 LYS A 90 10.958 -24.437 -3.555 1.00 54.54 H new ATOM 0 HD2 LYS A 90 12.452 -26.154 -4.651 1.00 72.05 H new ATOM 0 HD3 LYS A 90 13.751 -24.979 -4.637 1.00 72.05 H new ATOM 0 HE2 LYS A 90 14.007 -25.064 -2.327 1.00 62.14 H new ATOM 0 HE3 LYS A 90 12.331 -25.489 -2.043 1.00 62.14 H new ATOM 0 HZ1 LYS A 90 13.794 -27.350 -1.598 1.00 70.22 H new ATOM 0 HZ2 LYS A 90 12.776 -27.713 -2.908 1.00 70.22 H new ATOM 0 HZ3 LYS A 90 14.401 -27.301 -3.183 1.00 70.22 H new ATOM 1108 N THR A 91 11.531 -21.391 -7.419 1.00 54.32 N ATOM 1109 CA THR A 91 12.256 -20.260 -7.985 1.00 33.00 C ATOM 1110 C THR A 91 11.305 -19.129 -8.360 1.00 73.34 C ATOM 1111 O THR A 91 10.113 -19.180 -8.053 1.00 3.50 O ATOM 1112 CB THR A 91 13.058 -20.675 -9.232 1.00 62.14 C ATOM 1113 OG1 THR A 91 12.647 -21.975 -9.670 1.00 24.54 O ATOM 1114 CG2 THR A 91 14.551 -20.681 -8.939 1.00 32.24 C ATOM 0 H THR A 91 11.323 -22.135 -8.085 1.00 54.32 H new ATOM 0 HA THR A 91 12.946 -19.911 -7.217 1.00 33.00 H new ATOM 0 HB THR A 91 12.862 -19.948 -10.020 1.00 62.14 H new ATOM 0 HG1 THR A 91 12.605 -21.992 -10.649 1.00 24.54 H new ATOM 0 HG21 THR A 91 15.096 -20.977 -9.835 1.00 32.24 H new ATOM 0 HG22 THR A 91 14.866 -19.683 -8.636 1.00 32.24 H new ATOM 0 HG23 THR A 91 14.761 -21.387 -8.136 1.00 32.24 H new ATOM 1122 N VAL A 92 11.838 -18.110 -9.026 1.00 61.14 N ATOM 1123 CA VAL A 92 11.036 -16.967 -9.444 1.00 60.15 C ATOM 1124 C VAL A 92 10.960 -16.876 -10.964 1.00 13.50 C ATOM 1125 O VAL A 92 11.284 -15.852 -11.567 1.00 21.04 O ATOM 1126 CB VAL A 92 11.606 -15.649 -8.890 1.00 43.51 C ATOM 1127 CG1 VAL A 92 10.535 -14.568 -8.876 1.00 44.41 C ATOM 1128 CG2 VAL A 92 12.179 -15.860 -7.497 1.00 11.42 C ATOM 0 H VAL A 92 12.822 -18.053 -9.288 1.00 61.14 H new ATOM 0 HA VAL A 92 10.035 -17.119 -9.041 1.00 60.15 H new ATOM 0 HB VAL A 92 12.413 -15.319 -9.544 1.00 43.51 H new ATOM 0 HG11 VAL A 92 10.956 -13.643 -8.481 1.00 44.41 H new ATOM 0 HG12 VAL A 92 10.176 -14.399 -9.891 1.00 44.41 H new ATOM 0 HG13 VAL A 92 9.705 -14.887 -8.246 1.00 44.41 H new ATOM 0 HG21 VAL A 92 12.578 -14.918 -7.121 1.00 11.42 H new ATOM 0 HG22 VAL A 92 11.393 -16.213 -6.830 1.00 11.42 H new ATOM 0 HG23 VAL A 92 12.978 -16.600 -7.540 1.00 11.42 H new ATOM 1138 N PRO A 93 10.520 -17.971 -11.602 1.00 3.42 N ATOM 1139 CA PRO A 93 10.391 -18.040 -13.060 1.00 54.02 C ATOM 1140 C PRO A 93 9.258 -17.162 -13.583 1.00 53.01 C ATOM 1141 O PRO A 93 8.103 -17.325 -13.192 1.00 52.55 O ATOM 1142 CB PRO A 93 10.085 -19.517 -13.320 1.00 53.33 C ATOM 1143 CG PRO A 93 9.462 -20.003 -12.057 1.00 41.43 C ATOM 1144 CD PRO A 93 10.116 -19.227 -10.947 1.00 62.01 C ATOM 0 HA PRO A 93 11.287 -17.681 -13.566 1.00 54.02 H new ATOM 0 HB2 PRO A 93 9.409 -19.638 -14.167 1.00 53.33 H new ATOM 0 HB3 PRO A 93 10.992 -20.074 -13.554 1.00 53.33 H new ATOM 0 HG2 PRO A 93 8.384 -19.839 -12.065 1.00 41.43 H new ATOM 0 HG3 PRO A 93 9.621 -21.074 -11.931 1.00 41.43 H new ATOM 0 HD2 PRO A 93 9.427 -19.047 -10.122 1.00 62.01 H new ATOM 0 HD3 PRO A 93 10.973 -19.759 -10.535 1.00 62.01 H new ATOM 1152 N ASN A 94 9.598 -16.231 -14.469 1.00 61.21 N ATOM 1153 CA ASN A 94 8.609 -15.327 -15.045 1.00 72.14 C ATOM 1154 C ASN A 94 8.736 -15.280 -16.565 1.00 10.31 C ATOM 1155 O ASN A 94 9.764 -14.861 -17.100 1.00 33.23 O ATOM 1156 CB ASN A 94 8.773 -13.921 -14.464 1.00 74.41 C ATOM 1157 CG ASN A 94 7.642 -13.549 -13.526 1.00 10.31 C ATOM 1158 OD1 ASN A 94 7.110 -12.440 -13.586 1.00 4.31 O ATOM 1159 ND2 ASN A 94 7.268 -14.476 -12.652 1.00 3.01 N ATOM 0 H ASN A 94 10.550 -16.083 -14.803 1.00 61.21 H new ATOM 0 HA ASN A 94 7.618 -15.703 -14.792 1.00 72.14 H new ATOM 0 HB2 ASN A 94 9.721 -13.860 -13.929 1.00 74.41 H new ATOM 0 HB3 ASN A 94 8.820 -13.197 -15.278 1.00 74.41 H new ATOM 0 HD21 ASN A 94 6.512 -14.282 -11.995 1.00 3.01 H new ATOM 0 HD22 ASN A 94 7.737 -15.382 -12.637 1.00 3.01 H new ATOM 1166 N ILE A 95 7.686 -15.711 -17.255 1.00 72.40 N ATOM 1167 CA ILE A 95 7.680 -15.716 -18.713 1.00 14.54 C ATOM 1168 C ILE A 95 6.365 -15.170 -19.258 1.00 52.21 C ATOM 1169 O ILE A 95 5.338 -15.849 -19.228 1.00 54.51 O ATOM 1170 CB ILE A 95 7.905 -17.133 -19.272 1.00 60.12 C ATOM 1171 CG1 ILE A 95 7.394 -18.182 -18.283 1.00 74.32 C ATOM 1172 CG2 ILE A 95 9.380 -17.355 -19.573 1.00 15.23 C ATOM 1173 CD1 ILE A 95 8.416 -18.578 -17.240 1.00 32.23 C ATOM 0 H ILE A 95 6.828 -16.061 -16.828 1.00 72.40 H new ATOM 0 HA ILE A 95 8.499 -15.073 -19.035 1.00 14.54 H new ATOM 0 HB ILE A 95 7.345 -17.234 -20.202 1.00 60.12 H new ATOM 0 HG12 ILE A 95 6.507 -17.795 -17.782 1.00 74.32 H new ATOM 0 HG13 ILE A 95 7.087 -19.070 -18.835 1.00 74.32 H new ATOM 0 HG21 ILE A 95 9.523 -18.361 -19.967 1.00 15.23 H new ATOM 0 HG22 ILE A 95 9.715 -16.625 -20.310 1.00 15.23 H new ATOM 0 HG23 ILE A 95 9.960 -17.238 -18.657 1.00 15.23 H new ATOM 0 HD11 ILE A 95 7.985 -19.325 -16.573 1.00 32.23 H new ATOM 0 HD12 ILE A 95 9.295 -18.995 -17.732 1.00 32.23 H new ATOM 0 HD13 ILE A 95 8.706 -17.700 -16.663 1.00 32.23 H new ATOM 1185 N PHE A 96 6.403 -13.939 -19.758 1.00 62.45 N ATOM 1186 CA PHE A 96 5.215 -13.300 -20.313 1.00 21.45 C ATOM 1187 C PHE A 96 5.574 -12.435 -21.517 1.00 64.32 C ATOM 1188 O PHE A 96 6.364 -11.498 -21.408 1.00 51.14 O ATOM 1189 CB PHE A 96 4.523 -12.449 -19.246 1.00 25.01 C ATOM 1190 CG PHE A 96 4.265 -13.188 -17.964 1.00 12.02 C ATOM 1191 CD1 PHE A 96 5.271 -13.347 -17.025 1.00 42.30 C ATOM 1192 CD2 PHE A 96 3.015 -13.724 -17.698 1.00 12.11 C ATOM 1193 CE1 PHE A 96 5.036 -14.026 -15.844 1.00 44.33 C ATOM 1194 CE2 PHE A 96 2.774 -14.403 -16.519 1.00 30.31 C ATOM 1195 CZ PHE A 96 3.786 -14.556 -15.591 1.00 42.55 C ATOM 0 H PHE A 96 7.245 -13.364 -19.790 1.00 62.45 H new ATOM 0 HA PHE A 96 4.532 -14.083 -20.643 1.00 21.45 H new ATOM 0 HB2 PHE A 96 5.139 -11.575 -19.034 1.00 25.01 H new ATOM 0 HB3 PHE A 96 3.576 -12.083 -19.642 1.00 25.01 H new ATOM 0 HD1 PHE A 96 6.251 -12.936 -17.218 1.00 42.30 H new ATOM 0 HD2 PHE A 96 2.220 -13.610 -18.420 1.00 12.11 H new ATOM 0 HE1 PHE A 96 5.829 -14.142 -15.120 1.00 44.33 H new ATOM 0 HE2 PHE A 96 1.795 -14.814 -16.323 1.00 30.31 H new ATOM 0 HZ PHE A 96 3.600 -15.089 -14.670 1.00 42.55 H new ATOM 1205 N VAL A 97 4.988 -12.757 -22.666 1.00 14.24 N ATOM 1206 CA VAL A 97 5.244 -12.010 -23.891 1.00 2.20 C ATOM 1207 C VAL A 97 3.960 -11.401 -24.442 1.00 52.33 C ATOM 1208 O VAL A 97 2.894 -12.011 -24.375 1.00 51.14 O ATOM 1209 CB VAL A 97 5.880 -12.905 -24.971 1.00 55.35 C ATOM 1210 CG1 VAL A 97 4.808 -13.680 -25.721 1.00 73.00 C ATOM 1211 CG2 VAL A 97 6.715 -12.069 -25.931 1.00 14.32 C ATOM 0 H VAL A 97 4.332 -13.531 -22.774 1.00 14.24 H new ATOM 0 HA VAL A 97 5.940 -11.211 -23.635 1.00 2.20 H new ATOM 0 HB VAL A 97 6.539 -13.623 -24.482 1.00 55.35 H new ATOM 0 HG11 VAL A 97 5.276 -14.307 -26.480 1.00 73.00 H new ATOM 0 HG12 VAL A 97 4.256 -14.308 -25.021 1.00 73.00 H new ATOM 0 HG13 VAL A 97 4.122 -12.981 -26.200 1.00 73.00 H new ATOM 0 HG21 VAL A 97 7.157 -12.717 -26.688 1.00 14.32 H new ATOM 0 HG22 VAL A 97 6.080 -11.327 -26.415 1.00 14.32 H new ATOM 0 HG23 VAL A 97 7.507 -11.563 -25.379 1.00 14.32 H new ATOM 1221 N ASN A 98 4.070 -10.194 -24.987 1.00 5.30 N ATOM 1222 CA ASN A 98 2.917 -9.501 -25.551 1.00 3.34 C ATOM 1223 C ASN A 98 1.750 -9.499 -24.568 1.00 11.21 C ATOM 1224 O ASN A 98 0.621 -9.837 -24.926 1.00 41.24 O ATOM 1225 CB ASN A 98 2.492 -10.160 -26.864 1.00 32.31 C ATOM 1226 CG ASN A 98 1.915 -9.164 -27.851 1.00 41.52 C ATOM 1227 OD1 ASN A 98 0.906 -8.515 -27.577 1.00 11.12 O ATOM 1228 ND2 ASN A 98 2.556 -9.038 -29.008 1.00 2.45 N ATOM 0 H ASN A 98 4.946 -9.675 -25.050 1.00 5.30 H new ATOM 0 HA ASN A 98 3.205 -8.468 -25.748 1.00 3.34 H new ATOM 0 HB2 ASN A 98 3.352 -10.656 -27.314 1.00 32.31 H new ATOM 0 HB3 ASN A 98 1.751 -10.932 -26.657 1.00 32.31 H new ATOM 0 HD21 ASN A 98 2.215 -8.383 -29.711 1.00 2.45 H new ATOM 0 HD22 ASN A 98 3.389 -9.597 -29.193 1.00 2.45 H new ATOM 1235 N LYS A 99 2.029 -9.117 -23.327 1.00 2.23 N ATOM 1236 CA LYS A 99 1.004 -9.069 -22.291 1.00 10.10 C ATOM 1237 C LYS A 99 0.259 -10.397 -22.200 1.00 62.54 C ATOM 1238 O LYS A 99 -0.954 -10.428 -21.993 1.00 3.13 O ATOM 1239 CB LYS A 99 0.015 -7.937 -22.576 1.00 54.21 C ATOM 1240 CG LYS A 99 0.682 -6.630 -22.971 1.00 64.31 C ATOM 1241 CD LYS A 99 -0.339 -5.533 -23.212 1.00 54.31 C ATOM 1242 CE LYS A 99 -0.818 -5.523 -24.656 1.00 52.10 C ATOM 1243 NZ LYS A 99 -2.287 -5.747 -24.756 1.00 4.45 N ATOM 0 H LYS A 99 2.958 -8.836 -23.013 1.00 2.23 H new ATOM 0 HA LYS A 99 1.496 -8.882 -21.337 1.00 10.10 H new ATOM 0 HB2 LYS A 99 -0.659 -8.247 -23.375 1.00 54.21 H new ATOM 0 HB3 LYS A 99 -0.597 -7.769 -21.690 1.00 54.21 H new ATOM 0 HG2 LYS A 99 1.371 -6.320 -22.185 1.00 64.31 H new ATOM 0 HG3 LYS A 99 1.275 -6.781 -23.873 1.00 64.31 H new ATOM 0 HD2 LYS A 99 -1.190 -5.675 -22.546 1.00 54.31 H new ATOM 0 HD3 LYS A 99 0.100 -4.566 -22.967 1.00 54.31 H new ATOM 0 HE2 LYS A 99 -0.564 -4.568 -25.116 1.00 52.10 H new ATOM 0 HE3 LYS A 99 -0.294 -6.296 -25.218 1.00 52.10 H new ATOM 0 HZ1 LYS A 99 -2.573 -5.733 -25.756 1.00 4.45 H new ATOM 0 HZ2 LYS A 99 -2.527 -6.670 -24.340 1.00 4.45 H new ATOM 0 HZ3 LYS A 99 -2.789 -4.995 -24.242 1.00 4.45 H new ATOM 1257 N VAL A 100 0.995 -11.494 -22.355 1.00 52.04 N ATOM 1258 CA VAL A 100 0.404 -12.826 -22.288 1.00 41.20 C ATOM 1259 C VAL A 100 1.216 -13.742 -21.379 1.00 11.44 C ATOM 1260 O VAL A 100 2.396 -13.497 -21.127 1.00 12.23 O ATOM 1261 CB VAL A 100 0.304 -13.466 -23.685 1.00 63.12 C ATOM 1262 CG1 VAL A 100 1.432 -14.465 -23.897 1.00 51.22 C ATOM 1263 CG2 VAL A 100 -1.050 -14.133 -23.870 1.00 55.54 C ATOM 0 H VAL A 100 2.000 -11.486 -22.528 1.00 52.04 H new ATOM 0 HA VAL A 100 -0.599 -12.707 -21.878 1.00 41.20 H new ATOM 0 HB VAL A 100 0.401 -12.679 -24.433 1.00 63.12 H new ATOM 0 HG11 VAL A 100 1.345 -14.907 -24.890 1.00 51.22 H new ATOM 0 HG12 VAL A 100 2.391 -13.955 -23.810 1.00 51.22 H new ATOM 0 HG13 VAL A 100 1.369 -15.250 -23.143 1.00 51.22 H new ATOM 0 HG21 VAL A 100 -1.103 -14.580 -24.863 1.00 55.54 H new ATOM 0 HG22 VAL A 100 -1.180 -14.909 -23.115 1.00 55.54 H new ATOM 0 HG23 VAL A 100 -1.840 -13.389 -23.765 1.00 55.54 H new ATOM 1273 N HIS A 101 0.575 -14.797 -20.888 1.00 30.14 N ATOM 1274 CA HIS A 101 1.238 -15.751 -20.005 1.00 52.22 C ATOM 1275 C HIS A 101 1.755 -16.951 -20.793 1.00 12.12 C ATOM 1276 O HIS A 101 0.997 -17.614 -21.503 1.00 45.41 O ATOM 1277 CB HIS A 101 0.277 -16.220 -18.912 1.00 73.10 C ATOM 1278 CG HIS A 101 -1.059 -16.653 -19.434 1.00 1.23 C ATOM 1279 ND1 HIS A 101 -2.146 -15.808 -19.512 1.00 72.00 N ATOM 1280 CD2 HIS A 101 -1.479 -17.849 -19.907 1.00 31.55 C ATOM 1281 CE1 HIS A 101 -3.178 -16.466 -20.009 1.00 21.40 C ATOM 1282 NE2 HIS A 101 -2.799 -17.707 -20.257 1.00 75.11 N ATOM 0 H HIS A 101 -0.402 -15.014 -21.086 1.00 30.14 H new ATOM 0 HA HIS A 101 2.087 -15.249 -19.541 1.00 52.22 H new ATOM 0 HB2 HIS A 101 0.732 -17.049 -18.371 1.00 73.10 H new ATOM 0 HB3 HIS A 101 0.133 -15.412 -18.195 1.00 73.10 H new ATOM 0 HD2 HIS A 101 -0.886 -18.748 -19.993 1.00 31.55 H new ATOM 0 HE1 HIS A 101 -4.163 -16.059 -20.183 1.00 21.40 H new ATOM 0 HE2 HIS A 101 -3.391 -18.441 -20.646 1.00 75.11 H new ATOM 1290 N VAL A 102 3.049 -17.225 -20.664 1.00 4.10 N ATOM 1291 CA VAL A 102 3.667 -18.345 -21.363 1.00 44.13 C ATOM 1292 C VAL A 102 3.693 -19.593 -20.488 1.00 15.33 C ATOM 1293 O VAL A 102 3.426 -20.698 -20.957 1.00 31.23 O ATOM 1294 CB VAL A 102 5.105 -18.009 -21.801 1.00 44.51 C ATOM 1295 CG1 VAL A 102 5.678 -19.125 -22.660 1.00 54.05 C ATOM 1296 CG2 VAL A 102 5.139 -16.681 -22.545 1.00 21.34 C ATOM 0 H VAL A 102 3.690 -16.686 -20.081 1.00 4.10 H new ATOM 0 HA VAL A 102 3.061 -18.538 -22.248 1.00 44.13 H new ATOM 0 HB VAL A 102 5.725 -17.916 -20.909 1.00 44.51 H new ATOM 0 HG11 VAL A 102 6.694 -18.869 -22.959 1.00 54.05 H new ATOM 0 HG12 VAL A 102 5.691 -20.053 -22.089 1.00 54.05 H new ATOM 0 HG13 VAL A 102 5.060 -19.254 -23.548 1.00 54.05 H new ATOM 0 HG21 VAL A 102 6.163 -16.459 -22.847 1.00 21.34 H new ATOM 0 HG22 VAL A 102 4.505 -16.743 -23.429 1.00 21.34 H new ATOM 0 HG23 VAL A 102 4.774 -15.889 -21.892 1.00 21.34 H new ATOM 1306 N GLY A 103 4.016 -19.407 -19.211 1.00 50.25 N ATOM 1307 CA GLY A 103 4.070 -20.527 -18.290 1.00 62.41 C ATOM 1308 C GLY A 103 5.477 -20.804 -17.796 1.00 33.33 C ATOM 1309 O GLY A 103 5.892 -20.287 -16.760 1.00 54.11 O ATOM 0 H GLY A 103 4.241 -18.502 -18.799 1.00 50.25 H new ATOM 0 HA2 GLY A 103 3.422 -20.324 -17.437 1.00 62.41 H new ATOM 0 HA3 GLY A 103 3.679 -21.417 -18.782 1.00 62.41 H new ATOM 1313 N GLY A 104 6.212 -21.625 -18.539 1.00 40.04 N ATOM 1314 CA GLY A 104 7.571 -21.957 -18.154 1.00 61.03 C ATOM 1315 C GLY A 104 7.633 -23.140 -17.209 1.00 21.21 C ATOM 1316 O GLY A 104 6.605 -23.602 -16.714 1.00 14.34 O ATOM 0 H GLY A 104 5.891 -22.066 -19.401 1.00 40.04 H new ATOM 0 HA2 GLY A 104 8.155 -22.179 -19.048 1.00 61.03 H new ATOM 0 HA3 GLY A 104 8.032 -21.091 -17.679 1.00 61.03 H new ATOM 1320 N CYS A 105 8.841 -23.634 -16.960 1.00 2.10 N ATOM 1321 CA CYS A 105 9.033 -24.773 -16.069 1.00 51.12 C ATOM 1322 C CYS A 105 8.503 -26.054 -16.704 1.00 63.11 C ATOM 1323 O CYS A 105 8.490 -27.112 -16.073 1.00 51.02 O ATOM 1324 CB CYS A 105 8.333 -24.525 -14.732 1.00 51.42 C ATOM 1325 SG CYS A 105 9.053 -25.429 -13.342 1.00 64.34 S ATOM 0 H CYS A 105 9.702 -23.264 -17.362 1.00 2.10 H new ATOM 0 HA CYS A 105 10.102 -24.890 -15.894 1.00 51.12 H new ATOM 0 HB2 CYS A 105 8.362 -23.458 -14.511 1.00 51.42 H new ATOM 0 HB3 CYS A 105 7.283 -24.802 -14.827 1.00 51.42 H new ATOM 0 HG CYS A 105 9.236 -26.671 -13.680 1.00 64.34 H new ATOM 1331 N ASP A 106 8.067 -25.952 -17.954 1.00 44.02 N ATOM 1332 CA ASP A 106 7.537 -27.103 -18.676 1.00 14.04 C ATOM 1333 C ASP A 106 6.903 -26.673 -19.995 1.00 44.30 C ATOM 1334 O ASP A 106 7.022 -27.365 -21.007 1.00 21.25 O ATOM 1335 CB ASP A 106 6.506 -27.838 -17.817 1.00 12.30 C ATOM 1336 CG ASP A 106 6.986 -29.209 -17.383 1.00 74.51 C ATOM 1337 OD1 ASP A 106 7.641 -29.894 -18.197 1.00 35.13 O ATOM 1338 OD2 ASP A 106 6.706 -29.597 -16.230 1.00 32.55 O ATOM 0 H ASP A 106 8.070 -25.084 -18.489 1.00 44.02 H new ATOM 0 HA ASP A 106 8.365 -27.777 -18.895 1.00 14.04 H new ATOM 0 HB2 ASP A 106 6.279 -27.239 -16.935 1.00 12.30 H new ATOM 0 HB3 ASP A 106 5.578 -27.942 -18.378 1.00 12.30 H new ATOM 1343 N ARG A 107 6.230 -25.528 -19.977 1.00 44.34 N ATOM 1344 CA ARG A 107 5.577 -25.007 -21.172 1.00 42.42 C ATOM 1345 C ARG A 107 6.563 -24.223 -22.033 1.00 63.54 C ATOM 1346 O ARG A 107 6.782 -24.551 -23.200 1.00 63.42 O ATOM 1347 CB ARG A 107 4.399 -24.110 -20.786 1.00 23.54 C ATOM 1348 CG ARG A 107 3.895 -23.241 -21.925 1.00 61.02 C ATOM 1349 CD ARG A 107 3.726 -24.043 -23.206 1.00 13.00 C ATOM 1350 NE ARG A 107 2.496 -23.694 -23.912 1.00 32.43 N ATOM 1351 CZ ARG A 107 1.291 -24.114 -23.540 1.00 43.14 C ATOM 1352 NH1 ARG A 107 1.155 -24.893 -22.477 1.00 5.24 N ATOM 1353 NH2 ARG A 107 0.219 -23.753 -24.235 1.00 3.35 N ATOM 0 H ARG A 107 6.122 -24.943 -19.148 1.00 44.34 H new ATOM 0 HA ARG A 107 5.207 -25.854 -21.751 1.00 42.42 H new ATOM 0 HB2 ARG A 107 3.581 -24.734 -20.427 1.00 23.54 H new ATOM 0 HB3 ARG A 107 4.698 -23.469 -19.957 1.00 23.54 H new ATOM 0 HG2 ARG A 107 2.941 -22.792 -21.647 1.00 61.02 H new ATOM 0 HG3 ARG A 107 4.594 -22.423 -22.097 1.00 61.02 H new ATOM 0 HD2 ARG A 107 4.581 -23.868 -23.859 1.00 13.00 H new ATOM 0 HD3 ARG A 107 3.719 -25.107 -22.969 1.00 13.00 H new ATOM 0 HE ARG A 107 2.565 -23.096 -24.735 1.00 32.43 H new ATOM 0 HH11 ARG A 107 1.977 -25.172 -21.941 1.00 5.24 H new ATOM 0 HH12 ARG A 107 0.229 -25.213 -22.195 1.00 5.24 H new ATOM 0 HH21 ARG A 107 0.320 -23.154 -25.054 1.00 3.35 H new ATOM 0 HH22 ARG A 107 -0.706 -24.075 -23.950 1.00 3.35 H new ATOM 1367 N THR A 108 7.158 -23.187 -21.450 1.00 54.05 N ATOM 1368 CA THR A 108 8.119 -22.356 -22.164 1.00 71.03 C ATOM 1369 C THR A 108 9.369 -23.150 -22.525 1.00 44.44 C ATOM 1370 O THR A 108 10.023 -22.873 -23.532 1.00 5.33 O ATOM 1371 CB THR A 108 8.528 -21.127 -21.331 1.00 53.41 C ATOM 1372 OG1 THR A 108 7.365 -20.512 -20.763 1.00 3.33 O ATOM 1373 CG2 THR A 108 9.274 -20.115 -22.188 1.00 61.53 C ATOM 0 H THR A 108 6.991 -22.903 -20.485 1.00 54.05 H new ATOM 0 HA THR A 108 7.629 -22.019 -23.077 1.00 71.03 H new ATOM 0 HB THR A 108 9.190 -21.461 -20.532 1.00 53.41 H new ATOM 0 HG1 THR A 108 7.449 -19.537 -20.822 1.00 3.33 H new ATOM 0 HG21 THR A 108 9.552 -19.256 -21.577 1.00 61.53 H new ATOM 0 HG22 THR A 108 10.173 -20.577 -22.596 1.00 61.53 H new ATOM 0 HG23 THR A 108 8.632 -19.786 -23.005 1.00 61.53 H new ATOM 1381 N PHE A 109 9.696 -24.138 -21.700 1.00 1.11 N ATOM 1382 CA PHE A 109 10.870 -24.972 -21.933 1.00 14.54 C ATOM 1383 C PHE A 109 10.611 -25.974 -23.055 1.00 3.42 C ATOM 1384 O PHE A 109 11.425 -26.123 -23.966 1.00 12.25 O ATOM 1385 CB PHE A 109 11.257 -25.713 -20.652 1.00 0.44 C ATOM 1386 CG PHE A 109 12.701 -26.128 -20.612 1.00 33.24 C ATOM 1387 CD1 PHE A 109 13.703 -25.227 -20.933 1.00 21.40 C ATOM 1388 CD2 PHE A 109 13.054 -27.418 -20.253 1.00 32.24 C ATOM 1389 CE1 PHE A 109 15.032 -25.606 -20.898 1.00 73.22 C ATOM 1390 CE2 PHE A 109 14.381 -27.804 -20.217 1.00 12.34 C ATOM 1391 CZ PHE A 109 15.371 -26.896 -20.538 1.00 15.02 C ATOM 0 H PHE A 109 9.165 -24.381 -20.864 1.00 1.11 H new ATOM 0 HA PHE A 109 11.693 -24.323 -22.232 1.00 14.54 H new ATOM 0 HB2 PHE A 109 11.047 -25.074 -19.794 1.00 0.44 H new ATOM 0 HB3 PHE A 109 10.630 -26.599 -20.550 1.00 0.44 H new ATOM 0 HD1 PHE A 109 13.443 -24.217 -21.214 1.00 21.40 H new ATOM 0 HD2 PHE A 109 12.284 -28.131 -19.998 1.00 32.24 H new ATOM 0 HE1 PHE A 109 15.804 -24.895 -21.152 1.00 73.22 H new ATOM 0 HE2 PHE A 109 14.643 -28.814 -19.938 1.00 12.34 H new ATOM 0 HZ PHE A 109 16.409 -27.194 -20.508 1.00 15.02 H new ATOM 1401 N GLN A 110 9.473 -26.657 -22.979 1.00 22.45 N ATOM 1402 CA GLN A 110 9.108 -27.645 -23.986 1.00 62.33 C ATOM 1403 C GLN A 110 8.758 -26.971 -25.309 1.00 31.15 C ATOM 1404 O GLN A 110 9.302 -27.317 -26.357 1.00 21.24 O ATOM 1405 CB GLN A 110 7.928 -28.487 -23.501 1.00 74.33 C ATOM 1406 CG GLN A 110 7.689 -29.738 -24.332 1.00 62.04 C ATOM 1407 CD GLN A 110 7.903 -31.014 -23.541 1.00 73.04 C ATOM 1408 OE1 GLN A 110 7.023 -31.873 -23.477 1.00 51.33 O ATOM 1409 NE2 GLN A 110 9.076 -31.144 -22.933 1.00 33.23 N ATOM 0 H GLN A 110 8.789 -26.544 -22.231 1.00 22.45 H new ATOM 0 HA GLN A 110 9.967 -28.296 -24.147 1.00 62.33 H new ATOM 0 HB2 GLN A 110 8.101 -28.777 -22.465 1.00 74.33 H new ATOM 0 HB3 GLN A 110 7.026 -27.875 -23.514 1.00 74.33 H new ATOM 0 HG2 GLN A 110 6.671 -29.722 -24.721 1.00 62.04 H new ATOM 0 HG3 GLN A 110 8.359 -29.732 -25.192 1.00 62.04 H new ATOM 0 HE21 GLN A 110 9.776 -30.407 -23.013 1.00 33.23 H new ATOM 0 HE22 GLN A 110 9.277 -31.981 -22.386 1.00 33.23 H new ATOM 1418 N ALA A 111 7.845 -26.006 -25.251 1.00 60.33 N ATOM 1419 CA ALA A 111 7.423 -25.282 -26.444 1.00 73.04 C ATOM 1420 C ALA A 111 8.625 -24.748 -27.216 1.00 52.32 C ATOM 1421 O ALA A 111 8.571 -24.589 -28.436 1.00 54.30 O ATOM 1422 CB ALA A 111 6.487 -24.144 -26.067 1.00 3.12 C ATOM 0 H ALA A 111 7.384 -25.708 -24.391 1.00 60.33 H new ATOM 0 HA ALA A 111 6.889 -25.978 -27.091 1.00 73.04 H new ATOM 0 HB1 ALA A 111 6.180 -23.612 -26.967 1.00 3.12 H new ATOM 0 HB2 ALA A 111 5.607 -24.547 -25.566 1.00 3.12 H new ATOM 0 HB3 ALA A 111 7.002 -23.456 -25.397 1.00 3.12 H new ATOM 1428 N HIS A 112 9.708 -24.473 -26.498 1.00 5.22 N ATOM 1429 CA HIS A 112 10.925 -23.955 -27.116 1.00 30.22 C ATOM 1430 C HIS A 112 11.519 -24.976 -28.082 1.00 54.25 C ATOM 1431 O HIS A 112 11.890 -24.637 -29.206 1.00 34.14 O ATOM 1432 CB HIS A 112 11.953 -23.592 -26.044 1.00 72.22 C ATOM 1433 CG HIS A 112 13.301 -23.253 -26.598 1.00 64.22 C ATOM 1434 ND1 HIS A 112 13.652 -21.981 -27.003 1.00 34.44 N ATOM 1435 CD2 HIS A 112 14.391 -24.027 -26.814 1.00 23.10 C ATOM 1436 CE1 HIS A 112 14.897 -21.989 -27.444 1.00 34.52 C ATOM 1437 NE2 HIS A 112 15.368 -23.218 -27.339 1.00 52.03 N ATOM 0 H HIS A 112 9.769 -24.600 -25.488 1.00 5.22 H new ATOM 0 HA HIS A 112 10.665 -23.057 -27.677 1.00 30.22 H new ATOM 0 HB2 HIS A 112 11.582 -22.744 -25.469 1.00 72.22 H new ATOM 0 HB3 HIS A 112 12.054 -24.427 -25.351 1.00 72.22 H new ATOM 0 HD2 HIS A 112 14.476 -25.084 -26.611 1.00 23.10 H new ATOM 0 HE1 HIS A 112 15.438 -21.136 -27.826 1.00 34.52 H new ATOM 0 HE2 HIS A 112 16.306 -23.518 -27.605 1.00 52.03 H new ATOM 1445 N GLN A 113 11.606 -26.226 -27.636 1.00 42.52 N ATOM 1446 CA GLN A 113 12.156 -27.294 -28.462 1.00 5.12 C ATOM 1447 C GLN A 113 11.071 -27.931 -29.323 1.00 31.21 C ATOM 1448 O GLN A 113 11.364 -28.638 -30.285 1.00 73.41 O ATOM 1449 CB GLN A 113 12.817 -28.357 -27.583 1.00 34.02 C ATOM 1450 CG GLN A 113 14.035 -27.851 -26.827 1.00 63.41 C ATOM 1451 CD GLN A 113 14.599 -28.883 -25.871 1.00 32.52 C ATOM 1452 OE1 GLN A 113 15.428 -29.711 -26.250 1.00 12.12 O ATOM 1453 NE2 GLN A 113 14.150 -28.840 -24.621 1.00 22.31 N ATOM 0 H GLN A 113 11.303 -26.523 -26.708 1.00 42.52 H new ATOM 0 HA GLN A 113 12.907 -26.859 -29.121 1.00 5.12 H new ATOM 0 HB2 GLN A 113 12.085 -28.731 -26.867 1.00 34.02 H new ATOM 0 HB3 GLN A 113 13.112 -29.200 -28.207 1.00 34.02 H new ATOM 0 HG2 GLN A 113 14.807 -27.562 -27.541 1.00 63.41 H new ATOM 0 HG3 GLN A 113 13.765 -26.954 -26.269 1.00 63.41 H new ATOM 0 HE21 GLN A 113 13.463 -28.137 -24.350 1.00 22.31 H new ATOM 0 HE22 GLN A 113 14.493 -29.510 -23.933 1.00 22.31 H new ATOM 1462 N ASN A 114 9.815 -27.675 -28.968 1.00 41.02 N ATOM 1463 CA ASN A 114 8.685 -28.225 -29.708 1.00 40.41 C ATOM 1464 C ASN A 114 8.256 -27.280 -30.827 1.00 72.31 C ATOM 1465 O ASN A 114 7.536 -27.673 -31.744 1.00 20.14 O ATOM 1466 CB ASN A 114 7.509 -28.485 -28.765 1.00 45.12 C ATOM 1467 CG ASN A 114 7.514 -29.896 -28.209 1.00 4.23 C ATOM 1468 OD1 ASN A 114 6.523 -30.618 -28.310 1.00 25.14 O ATOM 1469 ND2 ASN A 114 8.635 -30.294 -27.617 1.00 42.42 N ATOM 0 H ASN A 114 9.555 -27.091 -28.173 1.00 41.02 H new ATOM 0 HA ASN A 114 8.999 -29.169 -30.154 1.00 40.41 H new ATOM 0 HB2 ASN A 114 7.544 -27.773 -27.941 1.00 45.12 H new ATOM 0 HB3 ASN A 114 6.574 -28.311 -29.298 1.00 45.12 H new ATOM 0 HD21 ASN A 114 8.698 -31.233 -27.223 1.00 42.42 H new ATOM 0 HD22 ASN A 114 9.432 -29.661 -27.556 1.00 42.42 H new ATOM 1476 N GLY A 115 8.704 -26.031 -30.743 1.00 64.45 N ATOM 1477 CA GLY A 115 8.356 -25.050 -31.755 1.00 44.12 C ATOM 1478 C GLY A 115 7.064 -24.323 -31.438 1.00 63.43 C ATOM 1479 O GLY A 115 6.646 -23.433 -32.179 1.00 43.22 O ATOM 0 H GLY A 115 9.301 -25.681 -29.993 1.00 64.45 H new ATOM 0 HA2 GLY A 115 9.164 -24.325 -31.847 1.00 44.12 H new ATOM 0 HA3 GLY A 115 8.262 -25.546 -32.721 1.00 44.12 H new ATOM 1483 N LEU A 116 6.428 -24.706 -30.336 1.00 53.21 N ATOM 1484 CA LEU A 116 5.173 -24.085 -29.923 1.00 61.44 C ATOM 1485 C LEU A 116 5.425 -22.732 -29.265 1.00 60.55 C ATOM 1486 O LEU A 116 4.503 -21.938 -29.084 1.00 52.43 O ATOM 1487 CB LEU A 116 4.422 -25.004 -28.958 1.00 11.10 C ATOM 1488 CG LEU A 116 3.014 -24.555 -28.566 1.00 35.55 C ATOM 1489 CD1 LEU A 116 2.112 -25.760 -28.342 1.00 44.14 C ATOM 1490 CD2 LEU A 116 3.060 -23.684 -27.318 1.00 53.15 C ATOM 0 H LEU A 116 6.760 -25.442 -29.713 1.00 53.21 H new ATOM 0 HA LEU A 116 4.564 -23.926 -30.813 1.00 61.44 H new ATOM 0 HB2 LEU A 116 4.354 -25.994 -29.409 1.00 11.10 H new ATOM 0 HB3 LEU A 116 5.015 -25.107 -28.050 1.00 11.10 H new ATOM 0 HG LEU A 116 2.602 -23.964 -29.384 1.00 35.55 H new ATOM 0 HD11 LEU A 116 1.114 -25.421 -28.064 1.00 44.14 H new ATOM 0 HD12 LEU A 116 2.053 -26.346 -29.259 1.00 44.14 H new ATOM 0 HD13 LEU A 116 2.521 -26.377 -27.542 1.00 44.14 H new ATOM 0 HD21 LEU A 116 2.049 -23.374 -27.054 1.00 53.15 H new ATOM 0 HD22 LEU A 116 3.493 -24.251 -26.494 1.00 53.15 H new ATOM 0 HD23 LEU A 116 3.671 -22.803 -27.512 1.00 53.15 H new ATOM 1502 N LEU A 117 6.680 -22.478 -28.912 1.00 11.21 N ATOM 1503 CA LEU A 117 7.054 -21.219 -28.275 1.00 64.11 C ATOM 1504 C LEU A 117 7.353 -20.149 -29.320 1.00 51.54 C ATOM 1505 O LEU A 117 6.898 -19.011 -29.204 1.00 1.25 O ATOM 1506 CB LEU A 117 8.274 -21.424 -27.374 1.00 41.25 C ATOM 1507 CG LEU A 117 8.490 -20.368 -26.289 1.00 24.44 C ATOM 1508 CD1 LEU A 117 7.453 -20.516 -25.187 1.00 74.23 C ATOM 1509 CD2 LEU A 117 9.897 -20.473 -25.717 1.00 61.12 C ATOM 0 H LEU A 117 7.455 -23.125 -29.055 1.00 11.21 H new ATOM 0 HA LEU A 117 6.214 -20.883 -27.668 1.00 64.11 H new ATOM 0 HB2 LEU A 117 8.186 -22.398 -26.893 1.00 41.25 H new ATOM 0 HB3 LEU A 117 9.164 -21.458 -28.003 1.00 41.25 H new ATOM 0 HG LEU A 117 8.374 -19.382 -26.739 1.00 24.44 H new ATOM 0 HD11 LEU A 117 7.622 -19.756 -24.424 1.00 74.23 H new ATOM 0 HD12 LEU A 117 6.455 -20.392 -25.607 1.00 74.23 H new ATOM 0 HD13 LEU A 117 7.537 -21.506 -24.739 1.00 74.23 H new ATOM 0 HD21 LEU A 117 10.034 -19.714 -24.946 1.00 61.12 H new ATOM 0 HD22 LEU A 117 10.040 -21.462 -25.282 1.00 61.12 H new ATOM 0 HD23 LEU A 117 10.626 -20.318 -26.513 1.00 61.12 H new ATOM 1521 N GLN A 118 8.119 -20.523 -30.340 1.00 53.32 N ATOM 1522 CA GLN A 118 8.476 -19.594 -31.407 1.00 23.11 C ATOM 1523 C GLN A 118 7.229 -19.059 -32.104 1.00 40.11 C ATOM 1524 O GLN A 118 7.197 -17.912 -32.548 1.00 60.12 O ATOM 1525 CB GLN A 118 9.390 -20.279 -32.424 1.00 33.35 C ATOM 1526 CG GLN A 118 8.640 -21.118 -33.447 1.00 3.05 C ATOM 1527 CD GLN A 118 9.569 -21.826 -34.413 1.00 71.10 C ATOM 1528 OE1 GLN A 118 10.772 -21.570 -34.436 1.00 23.41 O ATOM 1529 NE2 GLN A 118 9.012 -22.723 -35.220 1.00 42.52 N ATOM 0 H GLN A 118 8.504 -21.461 -30.450 1.00 53.32 H new ATOM 0 HA GLN A 118 9.008 -18.754 -30.960 1.00 23.11 H new ATOM 0 HB2 GLN A 118 9.973 -19.520 -32.946 1.00 33.35 H new ATOM 0 HB3 GLN A 118 10.098 -20.915 -31.893 1.00 33.35 H new ATOM 0 HG2 GLN A 118 8.029 -21.857 -32.928 1.00 3.05 H new ATOM 0 HG3 GLN A 118 7.958 -20.478 -34.007 1.00 3.05 H new ATOM 0 HE21 GLN A 118 8.010 -22.904 -35.167 1.00 42.52 H new ATOM 0 HE22 GLN A 118 9.587 -23.231 -35.893 1.00 42.52 H new ATOM 1538 N LYS A 119 6.203 -19.899 -32.198 1.00 25.43 N ATOM 1539 CA LYS A 119 4.954 -19.512 -32.840 1.00 75.32 C ATOM 1540 C LYS A 119 4.149 -18.576 -31.944 1.00 40.32 C ATOM 1541 O LYS A 119 3.311 -17.810 -32.423 1.00 4.21 O ATOM 1542 CB LYS A 119 4.124 -20.754 -33.176 1.00 12.35 C ATOM 1543 CG LYS A 119 3.876 -21.660 -31.983 1.00 30.34 C ATOM 1544 CD LYS A 119 2.830 -22.718 -32.294 1.00 44.22 C ATOM 1545 CE LYS A 119 1.463 -22.097 -32.533 1.00 31.12 C ATOM 1546 NZ LYS A 119 1.062 -22.171 -33.965 1.00 11.52 N ATOM 0 H LYS A 119 6.213 -20.853 -31.837 1.00 25.43 H new ATOM 0 HA LYS A 119 5.196 -18.984 -33.762 1.00 75.32 H new ATOM 0 HB2 LYS A 119 3.165 -20.439 -33.588 1.00 12.35 H new ATOM 0 HB3 LYS A 119 4.634 -21.322 -33.954 1.00 12.35 H new ATOM 0 HG2 LYS A 119 4.809 -22.144 -31.692 1.00 30.34 H new ATOM 0 HG3 LYS A 119 3.548 -21.062 -31.133 1.00 30.34 H new ATOM 0 HD2 LYS A 119 3.133 -23.283 -33.176 1.00 44.22 H new ATOM 0 HD3 LYS A 119 2.770 -23.426 -31.467 1.00 44.22 H new ATOM 0 HE2 LYS A 119 0.720 -22.608 -31.921 1.00 31.12 H new ATOM 0 HE3 LYS A 119 1.477 -21.055 -32.213 1.00 31.12 H new ATOM 0 HZ1 LYS A 119 0.242 -21.553 -34.128 1.00 11.52 H new ATOM 0 HZ2 LYS A 119 1.854 -21.861 -34.564 1.00 11.52 H new ATOM 0 HZ3 LYS A 119 0.810 -23.151 -34.205 1.00 11.52 H new ATOM 1560 N LEU A 120 4.407 -18.642 -30.643 1.00 44.11 N ATOM 1561 CA LEU A 120 3.708 -17.798 -29.680 1.00 71.01 C ATOM 1562 C LEU A 120 4.306 -16.395 -29.650 1.00 70.42 C ATOM 1563 O LEU A 120 3.581 -15.401 -29.591 1.00 64.01 O ATOM 1564 CB LEU A 120 3.771 -18.422 -28.286 1.00 3.13 C ATOM 1565 CG LEU A 120 2.995 -17.694 -27.188 1.00 11.32 C ATOM 1566 CD1 LEU A 120 3.826 -16.557 -26.611 1.00 62.12 C ATOM 1567 CD2 LEU A 120 1.673 -17.168 -27.728 1.00 65.51 C ATOM 0 H LEU A 120 5.095 -19.271 -30.230 1.00 44.11 H new ATOM 0 HA LEU A 120 2.666 -17.721 -29.990 1.00 71.01 H new ATOM 0 HB2 LEU A 120 3.397 -19.444 -28.350 1.00 3.13 H new ATOM 0 HB3 LEU A 120 4.817 -18.483 -27.984 1.00 3.13 H new ATOM 0 HG LEU A 120 2.782 -18.404 -26.389 1.00 11.32 H new ATOM 0 HD11 LEU A 120 3.258 -16.050 -25.831 1.00 62.12 H new ATOM 0 HD12 LEU A 120 4.746 -16.958 -26.187 1.00 62.12 H new ATOM 0 HD13 LEU A 120 4.070 -15.847 -27.401 1.00 62.12 H new ATOM 0 HD21 LEU A 120 1.134 -16.653 -26.933 1.00 65.51 H new ATOM 0 HD22 LEU A 120 1.865 -16.473 -28.546 1.00 65.51 H new ATOM 0 HD23 LEU A 120 1.072 -18.001 -28.093 1.00 65.51 H new ATOM 1579 N LEU A 121 5.632 -16.322 -29.692 1.00 14.52 N ATOM 1580 CA LEU A 121 6.328 -15.040 -29.672 1.00 74.32 C ATOM 1581 C LEU A 121 6.114 -14.284 -30.979 1.00 4.23 C ATOM 1582 O LEU A 121 6.449 -13.104 -31.085 1.00 72.24 O ATOM 1583 CB LEU A 121 7.823 -15.253 -29.431 1.00 53.00 C ATOM 1584 CG LEU A 121 8.192 -16.116 -28.224 1.00 25.24 C ATOM 1585 CD1 LEU A 121 9.668 -15.962 -27.889 1.00 61.24 C ATOM 1586 CD2 LEU A 121 7.331 -15.751 -27.024 1.00 33.55 C ATOM 0 H LEU A 121 6.246 -17.135 -29.740 1.00 14.52 H new ATOM 0 HA LEU A 121 5.917 -14.444 -28.858 1.00 74.32 H new ATOM 0 HB2 LEU A 121 8.253 -15.708 -30.323 1.00 53.00 H new ATOM 0 HB3 LEU A 121 8.294 -14.277 -29.312 1.00 53.00 H new ATOM 0 HG LEU A 121 8.004 -17.159 -28.477 1.00 25.24 H new ATOM 0 HD11 LEU A 121 9.912 -16.583 -27.027 1.00 61.24 H new ATOM 0 HD12 LEU A 121 10.269 -16.273 -28.743 1.00 61.24 H new ATOM 0 HD13 LEU A 121 9.881 -14.919 -27.656 1.00 61.24 H new ATOM 0 HD21 LEU A 121 7.608 -16.375 -26.174 1.00 33.55 H new ATOM 0 HD22 LEU A 121 7.487 -14.703 -26.770 1.00 33.55 H new ATOM 0 HD23 LEU A 121 6.281 -15.913 -27.267 1.00 33.55 H new ATOM 1598 N GLN A 122 5.554 -14.970 -31.969 1.00 35.52 N ATOM 1599 CA GLN A 122 5.294 -14.361 -33.269 1.00 34.51 C ATOM 1600 C GLN A 122 4.321 -13.194 -33.139 1.00 64.21 C ATOM 1601 O GLN A 122 4.300 -12.295 -33.979 1.00 42.11 O ATOM 1602 CB GLN A 122 4.733 -15.402 -34.240 1.00 1.20 C ATOM 1603 CG GLN A 122 5.398 -15.378 -35.607 1.00 33.53 C ATOM 1604 CD GLN A 122 4.907 -14.237 -36.475 1.00 33.15 C ATOM 1605 OE1 GLN A 122 5.540 -13.184 -36.554 1.00 63.14 O ATOM 1606 NE2 GLN A 122 3.770 -14.438 -37.133 1.00 31.43 N ATOM 0 H GLN A 122 5.271 -15.947 -31.897 1.00 35.52 H new ATOM 0 HA GLN A 122 6.238 -13.981 -33.659 1.00 34.51 H new ATOM 0 HB2 GLN A 122 4.852 -16.394 -33.805 1.00 1.20 H new ATOM 0 HB3 GLN A 122 3.663 -15.233 -34.362 1.00 1.20 H new ATOM 0 HG2 GLN A 122 6.477 -15.294 -35.480 1.00 33.53 H new ATOM 0 HG3 GLN A 122 5.209 -16.323 -36.115 1.00 33.53 H new ATOM 0 HE21 GLN A 122 3.277 -15.326 -37.040 1.00 31.43 H new ATOM 0 HE22 GLN A 122 3.391 -13.704 -37.732 1.00 31.43 H new ATOM 1615 N ASP A 123 3.518 -13.215 -32.081 1.00 44.31 N ATOM 1616 CA ASP A 123 2.543 -12.157 -31.840 1.00 42.11 C ATOM 1617 C ASP A 123 1.749 -12.429 -30.567 1.00 4.44 C ATOM 1618 O ASP A 123 1.661 -11.575 -29.684 1.00 50.10 O ATOM 1619 CB ASP A 123 1.592 -12.030 -33.031 1.00 24.41 C ATOM 1620 CG ASP A 123 1.370 -10.588 -33.445 1.00 24.13 C ATOM 1621 OD1 ASP A 123 1.103 -9.751 -32.557 1.00 72.12 O ATOM 1622 OD2 ASP A 123 1.466 -10.297 -34.654 1.00 61.13 O ATOM 0 H ASP A 123 3.523 -13.953 -31.377 1.00 44.31 H new ATOM 0 HA ASP A 123 3.085 -11.219 -31.715 1.00 42.11 H new ATOM 0 HB2 ASP A 123 1.995 -12.589 -33.875 1.00 24.41 H new ATOM 0 HB3 ASP A 123 0.634 -12.483 -32.777 1.00 24.41 H new ATOM 1627 N ASP A 124 1.174 -13.623 -30.477 1.00 51.13 N ATOM 1628 CA ASP A 124 0.388 -14.008 -29.311 1.00 71.22 C ATOM 1629 C ASP A 124 1.257 -14.048 -28.059 1.00 70.11 C ATOM 1630 O ASP A 124 1.005 -13.326 -27.093 1.00 30.14 O ATOM 1631 CB ASP A 124 -0.266 -15.372 -29.539 1.00 23.45 C ATOM 1632 CG ASP A 124 -1.514 -15.281 -30.393 1.00 33.33 C ATOM 1633 OD1 ASP A 124 -2.267 -14.296 -30.243 1.00 3.35 O ATOM 1634 OD2 ASP A 124 -1.739 -16.195 -31.214 1.00 74.52 O ATOM 0 H ASP A 124 1.238 -14.341 -31.198 1.00 51.13 H new ATOM 0 HA ASP A 124 -0.392 -13.260 -29.165 1.00 71.22 H new ATOM 0 HB2 ASP A 124 0.450 -16.039 -30.018 1.00 23.45 H new ATOM 0 HB3 ASP A 124 -0.520 -15.815 -28.576 1.00 23.45 H new TER 1639 ASP A 124