USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1140 hydrogens (55 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 77 SER OG : rot 31:sc= 2.05 USER MOD Set 1.2: A 300 PBU O6 : rot -111:sc= 0.779 USER MOD Set 2.1: A 29 TYR OH : rot 156:sc= 0.988 USER MOD Set 2.2: A 97 THR OG1 : rot 49:sc= 0.923 USER MOD Set 3.1: A 80 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.9) USER MOD Set 3.2: A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00444) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= -0.0163 (180deg=-0.181) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.0394 K(o=0.039,f=-6.6!) USER MOD Single : A 39 ASN : amide:sc= -0.412 K(o=-0.41,f=0.24) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.313 USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= 0.107 (180deg=-0.404) USER MOD Single : A 57 CYS SG : rot 27:sc= 0.761 USER MOD Single : A 58 GLN : amide:sc= -1.8! C(o=-1.8!,f=-1.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 53:sc= -0.449 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 74 ASN : amide:sc= -0.0637 X(o=-0.064,f=-0.39) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 70:sc= -0.391 USER MOD Single : A 83 CYS SG : rot 86:sc= -0.216 USER MOD Single : A 87 CYS SG : rot -110:sc= -1 USER MOD Single : A 89 HIS : no HD1:sc= 0.0962 K(o=0.096,f=-0.46) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 107 HIS : no HD1:sc= -0.642 K(o=-0.64,f=-2.2!) USER MOD Single : A 112 THR OG1 : rot 71:sc= 0.338 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 122 SER OG : rot 180:sc= -0.0348 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 60:sc= 0.0341 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -0.374 K(o=-0.37,f=-1) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -160:sc= 0.0575 USER MOD Single : A 300 PBU O3 : rot 180:sc= 0.0675 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 6.379 11.671 1.141 1.00 72.45 N ATOM 2 CA GLY A 2 6.626 12.729 2.101 1.00 41.20 C ATOM 3 C GLY A 2 5.630 12.721 3.243 1.00 34.30 C ATOM 4 O GLY A 2 5.404 11.687 3.872 1.00 44.33 O ATOM 0 HA2 GLY A 2 7.634 12.623 2.502 1.00 41.20 H new ATOM 0 HA3 GLY A 2 6.584 13.693 1.593 1.00 41.20 H new ATOM 8 N ALA A 3 5.032 13.877 3.513 1.00 3.14 N ATOM 9 CA ALA A 3 4.055 13.998 4.588 1.00 33.31 C ATOM 10 C ALA A 3 4.674 13.649 5.937 1.00 44.35 C ATOM 11 O ALA A 3 5.853 13.303 6.018 1.00 32.10 O ATOM 12 CB ALA A 3 2.853 13.106 4.311 1.00 52.21 C ATOM 0 H ALA A 3 5.207 14.742 3.002 1.00 3.14 H new ATOM 0 HA ALA A 3 3.724 15.036 4.628 1.00 33.31 H new ATOM 0 HB1 ALA A 3 2.131 13.206 5.122 1.00 52.21 H new ATOM 0 HB2 ALA A 3 2.387 13.404 3.372 1.00 52.21 H new ATOM 0 HB3 ALA A 3 3.179 12.068 4.241 1.00 52.21 H new ATOM 18 N ARG A 4 3.874 13.744 6.993 1.00 51.11 N ATOM 19 CA ARG A 4 4.345 13.440 8.339 1.00 30.22 C ATOM 20 C ARG A 4 3.478 12.366 8.989 1.00 2.10 C ATOM 21 O ARG A 4 3.382 12.289 10.213 1.00 60.33 O ATOM 22 CB ARG A 4 4.341 14.704 9.201 1.00 42.21 C ATOM 23 CG ARG A 4 2.981 15.375 9.292 1.00 31.32 C ATOM 24 CD ARG A 4 3.073 16.732 9.972 1.00 12.43 C ATOM 25 NE ARG A 4 1.787 17.423 9.992 1.00 3.14 N ATOM 26 CZ ARG A 4 1.574 18.561 10.644 1.00 33.31 C ATOM 27 NH1 ARG A 4 2.557 19.133 11.324 1.00 63.10 N ATOM 28 NH2 ARG A 4 0.375 19.129 10.614 1.00 12.21 N ATOM 0 H ARG A 4 2.896 14.029 6.943 1.00 51.11 H new ATOM 0 HA ARG A 4 5.365 13.063 8.263 1.00 30.22 H new ATOM 0 HB2 ARG A 4 4.679 14.449 10.206 1.00 42.21 H new ATOM 0 HB3 ARG A 4 5.060 15.414 8.793 1.00 42.21 H new ATOM 0 HG2 ARG A 4 2.566 15.496 8.291 1.00 31.32 H new ATOM 0 HG3 ARG A 4 2.295 14.735 9.846 1.00 31.32 H new ATOM 0 HD2 ARG A 4 3.430 16.602 10.993 1.00 12.43 H new ATOM 0 HD3 ARG A 4 3.807 17.348 9.453 1.00 12.43 H new ATOM 0 HE ARG A 4 1.010 17.010 9.477 1.00 3.14 H new ATOM 0 HH11 ARG A 4 3.480 18.700 11.348 1.00 63.10 H new ATOM 0 HH12 ARG A 4 2.391 20.007 11.824 1.00 63.10 H new ATOM 0 HH21 ARG A 4 -0.383 18.692 10.090 1.00 12.21 H new ATOM 0 HH22 ARG A 4 0.212 20.003 11.115 1.00 12.21 H new ATOM 42 N ASN A 5 2.849 11.539 8.160 1.00 22.33 N ATOM 43 CA ASN A 5 1.989 10.470 8.655 1.00 74.21 C ATOM 44 C ASN A 5 1.517 9.578 7.510 1.00 13.50 C ATOM 45 O ASN A 5 0.503 9.858 6.869 1.00 41.44 O ATOM 46 CB ASN A 5 0.783 11.056 9.391 1.00 61.42 C ATOM 47 CG ASN A 5 0.025 10.009 10.185 1.00 2.42 C ATOM 48 OD1 ASN A 5 -0.999 9.493 9.736 1.00 45.34 O ATOM 49 ND2 ASN A 5 0.526 9.691 11.372 1.00 23.25 N ATOM 0 H ASN A 5 2.919 11.588 7.144 1.00 22.33 H new ATOM 0 HA ASN A 5 2.569 9.863 9.350 1.00 74.21 H new ATOM 0 HB2 ASN A 5 1.120 11.845 10.064 1.00 61.42 H new ATOM 0 HB3 ASN A 5 0.110 11.518 8.669 1.00 61.42 H new ATOM 0 HD21 ASN A 5 0.060 8.993 11.952 1.00 23.25 H new ATOM 0 HD22 ASN A 5 1.377 10.144 11.704 1.00 23.25 H new ATOM 56 N SER A 6 2.257 8.504 7.260 1.00 44.24 N ATOM 57 CA SER A 6 1.917 7.572 6.191 1.00 55.44 C ATOM 58 C SER A 6 1.865 8.287 4.843 1.00 54.30 C ATOM 59 O SER A 6 2.268 9.445 4.725 1.00 31.25 O ATOM 60 CB SER A 6 0.571 6.904 6.477 1.00 4.01 C ATOM 61 OG SER A 6 0.288 6.903 7.865 1.00 21.33 O ATOM 0 H SER A 6 3.097 8.257 7.783 1.00 44.24 H new ATOM 0 HA SER A 6 2.693 6.808 6.149 1.00 55.44 H new ATOM 0 HB2 SER A 6 -0.220 7.429 5.942 1.00 4.01 H new ATOM 0 HB3 SER A 6 0.583 5.880 6.104 1.00 4.01 H new ATOM 0 HG SER A 6 -0.578 6.472 8.022 1.00 21.33 H new ATOM 67 N VAL A 7 1.366 7.589 3.829 1.00 60.02 N ATOM 68 CA VAL A 7 1.260 8.155 2.489 1.00 11.31 C ATOM 69 C VAL A 7 -0.198 8.338 2.084 1.00 52.13 C ATOM 70 O VAL A 7 -0.637 9.450 1.785 1.00 11.05 O ATOM 71 CB VAL A 7 1.964 7.267 1.446 1.00 0.33 C ATOM 72 CG1 VAL A 7 1.816 7.859 0.053 1.00 14.52 C ATOM 73 CG2 VAL A 7 3.431 7.088 1.805 1.00 63.13 C ATOM 0 H VAL A 7 1.028 6.630 3.909 1.00 60.02 H new ATOM 0 HA VAL A 7 1.751 9.128 2.517 1.00 11.31 H new ATOM 0 HB VAL A 7 1.489 6.286 1.449 1.00 0.33 H new ATOM 0 HG11 VAL A 7 2.320 7.218 -0.670 1.00 14.52 H new ATOM 0 HG12 VAL A 7 0.759 7.932 -0.201 1.00 14.52 H new ATOM 0 HG13 VAL A 7 2.264 8.853 0.031 1.00 14.52 H new ATOM 0 HG21 VAL A 7 3.914 6.458 1.058 1.00 63.13 H new ATOM 0 HG22 VAL A 7 3.921 8.061 1.830 1.00 63.13 H new ATOM 0 HG23 VAL A 7 3.511 6.616 2.784 1.00 63.13 H new ATOM 83 N LEU A 8 -0.946 7.239 2.075 1.00 42.51 N ATOM 84 CA LEU A 8 -2.357 7.277 1.706 1.00 52.32 C ATOM 85 C LEU A 8 -3.233 7.530 2.930 1.00 62.40 C ATOM 86 O LEU A 8 -2.734 7.634 4.050 1.00 32.45 O ATOM 87 CB LEU A 8 -2.764 5.966 1.035 1.00 60.43 C ATOM 88 CG LEU A 8 -2.654 5.929 -0.491 1.00 5.33 C ATOM 89 CD1 LEU A 8 -2.992 4.543 -1.017 1.00 40.21 C ATOM 90 CD2 LEU A 8 -3.563 6.976 -1.116 1.00 74.20 C ATOM 0 H LEU A 8 -0.599 6.311 2.319 1.00 42.51 H new ATOM 0 HA LEU A 8 -2.502 8.097 1.003 1.00 52.32 H new ATOM 0 HB2 LEU A 8 -2.147 5.166 1.443 1.00 60.43 H new ATOM 0 HB3 LEU A 8 -3.795 5.745 1.310 1.00 60.43 H new ATOM 0 HG LEU A 8 -1.625 6.159 -0.768 1.00 5.33 H new ATOM 0 HD11 LEU A 8 -2.908 4.536 -2.104 1.00 40.21 H new ATOM 0 HD12 LEU A 8 -2.299 3.815 -0.595 1.00 40.21 H new ATOM 0 HD13 LEU A 8 -4.011 4.283 -0.730 1.00 40.21 H new ATOM 0 HD21 LEU A 8 -3.472 6.936 -2.201 1.00 74.20 H new ATOM 0 HD22 LEU A 8 -4.596 6.778 -0.831 1.00 74.20 H new ATOM 0 HD23 LEU A 8 -3.273 7.966 -0.764 1.00 74.20 H new ATOM 102 N ARG A 9 -4.539 7.623 2.706 1.00 42.11 N ATOM 103 CA ARG A 9 -5.484 7.862 3.790 1.00 20.22 C ATOM 104 C ARG A 9 -5.523 6.674 4.747 1.00 33.14 C ATOM 105 O ARG A 9 -4.782 5.706 4.583 1.00 14.12 O ATOM 106 CB ARG A 9 -6.883 8.123 3.228 1.00 5.21 C ATOM 107 CG ARG A 9 -6.912 9.177 2.134 1.00 60.34 C ATOM 108 CD ARG A 9 -8.197 9.989 2.176 1.00 72.25 C ATOM 109 NE ARG A 9 -8.089 11.226 1.408 1.00 41.35 N ATOM 110 CZ ARG A 9 -9.106 12.055 1.202 1.00 31.14 C ATOM 111 NH1 ARG A 9 -10.302 11.781 1.705 1.00 64.11 N ATOM 112 NH2 ARG A 9 -8.928 13.162 0.493 1.00 41.44 N ATOM 0 H ARG A 9 -4.967 7.537 1.784 1.00 42.11 H new ATOM 0 HA ARG A 9 -5.152 8.742 4.341 1.00 20.22 H new ATOM 0 HB2 ARG A 9 -7.287 7.191 2.833 1.00 5.21 H new ATOM 0 HB3 ARG A 9 -7.539 8.436 4.040 1.00 5.21 H new ATOM 0 HG2 ARG A 9 -6.056 9.843 2.246 1.00 60.34 H new ATOM 0 HG3 ARG A 9 -6.816 8.695 1.161 1.00 60.34 H new ATOM 0 HD2 ARG A 9 -9.018 9.389 1.783 1.00 72.25 H new ATOM 0 HD3 ARG A 9 -8.442 10.226 3.211 1.00 72.25 H new ATOM 0 HE ARG A 9 -7.182 11.467 1.008 1.00 41.35 H new ATOM 0 HH11 ARG A 9 -10.443 10.932 2.252 1.00 64.11 H new ATOM 0 HH12 ARG A 9 -11.081 12.420 1.545 1.00 64.11 H new ATOM 0 HH21 ARG A 9 -8.009 13.377 0.105 1.00 41.44 H new ATOM 0 HH22 ARG A 9 -9.710 13.798 0.335 1.00 41.44 H new ATOM 126 N GLY A 10 -6.394 6.756 5.749 1.00 12.22 N ATOM 127 CA GLY A 10 -6.513 5.683 6.719 1.00 1.11 C ATOM 128 C GLY A 10 -7.301 4.504 6.185 1.00 72.14 C ATOM 129 O GLY A 10 -6.852 3.360 6.262 1.00 12.41 O ATOM 0 H GLY A 10 -7.019 7.547 5.906 1.00 12.22 H new ATOM 0 HA2 GLY A 10 -5.517 5.349 7.010 1.00 1.11 H new ATOM 0 HA3 GLY A 10 -6.998 6.063 7.619 1.00 1.11 H new ATOM 133 N LYS A 11 -8.483 4.780 5.641 1.00 3.53 N ATOM 134 CA LYS A 11 -9.336 3.734 5.093 1.00 52.44 C ATOM 135 C LYS A 11 -8.579 2.896 4.067 1.00 31.13 C ATOM 136 O LYS A 11 -8.714 1.673 4.029 1.00 10.25 O ATOM 137 CB LYS A 11 -10.580 4.350 4.445 1.00 5.32 C ATOM 138 CG LYS A 11 -11.879 3.944 5.117 1.00 51.41 C ATOM 139 CD LYS A 11 -12.976 4.968 4.873 1.00 31.54 C ATOM 140 CE LYS A 11 -13.113 5.926 6.046 1.00 15.05 C ATOM 141 NZ LYS A 11 -13.993 5.374 7.114 1.00 11.50 N ATOM 0 H LYS A 11 -8.871 5.721 5.569 1.00 3.53 H new ATOM 0 HA LYS A 11 -9.643 3.084 5.912 1.00 52.44 H new ATOM 0 HB2 LYS A 11 -10.492 5.436 4.469 1.00 5.32 H new ATOM 0 HB3 LYS A 11 -10.616 4.057 3.396 1.00 5.32 H new ATOM 0 HG2 LYS A 11 -12.197 2.972 4.740 1.00 51.41 H new ATOM 0 HG3 LYS A 11 -11.716 3.832 6.189 1.00 51.41 H new ATOM 0 HD2 LYS A 11 -12.755 5.531 3.966 1.00 31.54 H new ATOM 0 HD3 LYS A 11 -13.924 4.456 4.707 1.00 31.54 H new ATOM 0 HE2 LYS A 11 -12.127 6.136 6.460 1.00 15.05 H new ATOM 0 HE3 LYS A 11 -13.520 6.874 5.695 1.00 15.05 H new ATOM 0 HZ1 LYS A 11 -14.061 6.057 7.895 1.00 11.50 H new ATOM 0 HZ2 LYS A 11 -14.941 5.197 6.726 1.00 11.50 H new ATOM 0 HZ3 LYS A 11 -13.592 4.482 7.468 1.00 11.50 H new ATOM 155 N LYS A 12 -7.781 3.561 3.240 1.00 45.41 N ATOM 156 CA LYS A 12 -6.999 2.877 2.216 1.00 22.32 C ATOM 157 C LYS A 12 -5.798 2.165 2.833 1.00 35.21 C ATOM 158 O LYS A 12 -5.498 1.023 2.488 1.00 42.02 O ATOM 159 CB LYS A 12 -6.525 3.874 1.157 1.00 45.40 C ATOM 160 CG LYS A 12 -7.505 4.059 0.012 1.00 74.41 C ATOM 161 CD LYS A 12 -8.211 5.402 0.094 1.00 63.15 C ATOM 162 CE LYS A 12 -9.136 5.619 -1.094 1.00 21.20 C ATOM 163 NZ LYS A 12 -10.349 4.759 -1.017 1.00 22.42 N ATOM 0 H LYS A 12 -7.658 4.573 3.258 1.00 45.41 H new ATOM 0 HA LYS A 12 -7.638 2.131 1.744 1.00 22.32 H new ATOM 0 HB2 LYS A 12 -6.348 4.839 1.632 1.00 45.40 H new ATOM 0 HB3 LYS A 12 -5.569 3.537 0.755 1.00 45.40 H new ATOM 0 HG2 LYS A 12 -6.975 3.983 -0.938 1.00 74.41 H new ATOM 0 HG3 LYS A 12 -8.243 3.257 0.030 1.00 74.41 H new ATOM 0 HD2 LYS A 12 -8.786 5.456 1.019 1.00 63.15 H new ATOM 0 HD3 LYS A 12 -7.471 6.202 0.131 1.00 63.15 H new ATOM 0 HE2 LYS A 12 -9.435 6.666 -1.135 1.00 21.20 H new ATOM 0 HE3 LYS A 12 -8.597 5.405 -2.017 1.00 21.20 H new ATOM 0 HZ1 LYS A 12 -10.970 4.961 -1.827 1.00 22.42 H new ATOM 0 HZ2 LYS A 12 -10.067 3.758 -1.038 1.00 22.42 H new ATOM 0 HZ3 LYS A 12 -10.859 4.956 -0.132 1.00 22.42 H new ATOM 177 N ALA A 13 -5.118 2.847 3.749 1.00 74.14 N ATOM 178 CA ALA A 13 -3.954 2.278 4.415 1.00 12.30 C ATOM 179 C ALA A 13 -4.332 1.037 5.215 1.00 22.44 C ATOM 180 O ALA A 13 -3.515 0.136 5.405 1.00 41.10 O ATOM 181 CB ALA A 13 -3.306 3.315 5.321 1.00 5.25 C ATOM 0 H ALA A 13 -5.354 3.794 4.046 1.00 74.14 H new ATOM 0 HA ALA A 13 -3.237 1.981 3.650 1.00 12.30 H new ATOM 0 HB1 ALA A 13 -2.437 2.877 5.813 1.00 5.25 H new ATOM 0 HB2 ALA A 13 -2.992 4.173 4.726 1.00 5.25 H new ATOM 0 HB3 ALA A 13 -4.024 3.639 6.074 1.00 5.25 H new ATOM 187 N ASP A 14 -5.574 0.995 5.683 1.00 11.34 N ATOM 188 CA ASP A 14 -6.061 -0.137 6.464 1.00 41.33 C ATOM 189 C ASP A 14 -6.149 -1.392 5.602 1.00 12.10 C ATOM 190 O ASP A 14 -5.589 -2.432 5.945 1.00 72.02 O ATOM 191 CB ASP A 14 -7.430 0.182 7.065 1.00 51.30 C ATOM 192 CG ASP A 14 -7.372 0.377 8.567 1.00 13.31 C ATOM 193 OD1 ASP A 14 -7.001 -0.582 9.277 1.00 74.21 O ATOM 194 OD2 ASP A 14 -7.695 1.489 9.034 1.00 4.44 O ATOM 0 H ASP A 14 -6.263 1.732 5.535 1.00 11.34 H new ATOM 0 HA ASP A 14 -5.353 -0.322 7.272 1.00 41.33 H new ATOM 0 HB2 ASP A 14 -7.826 1.084 6.600 1.00 51.30 H new ATOM 0 HB3 ASP A 14 -8.123 -0.627 6.833 1.00 51.30 H new ATOM 199 N GLU A 15 -6.859 -1.286 4.483 1.00 72.23 N ATOM 200 CA GLU A 15 -7.022 -2.414 3.573 1.00 41.01 C ATOM 201 C GLU A 15 -5.670 -2.898 3.056 1.00 11.23 C ATOM 202 O GLU A 15 -5.477 -4.088 2.806 1.00 11.24 O ATOM 203 CB GLU A 15 -7.920 -2.024 2.397 1.00 64.24 C ATOM 204 CG GLU A 15 -9.298 -2.664 2.444 1.00 63.23 C ATOM 205 CD GLU A 15 -10.377 -1.692 2.881 1.00 64.32 C ATOM 206 OE1 GLU A 15 -10.502 -0.621 2.252 1.00 1.13 O ATOM 207 OE2 GLU A 15 -11.097 -2.005 3.853 1.00 63.20 O ATOM 0 H GLU A 15 -7.330 -0.432 4.185 1.00 72.23 H new ATOM 0 HA GLU A 15 -7.492 -3.227 4.126 1.00 41.01 H new ATOM 0 HB2 GLU A 15 -8.033 -0.940 2.381 1.00 64.24 H new ATOM 0 HB3 GLU A 15 -7.429 -2.307 1.466 1.00 64.24 H new ATOM 0 HG2 GLU A 15 -9.546 -3.057 1.458 1.00 63.23 H new ATOM 0 HG3 GLU A 15 -9.278 -3.511 3.129 1.00 63.23 H new ATOM 214 N LEU A 16 -4.737 -1.965 2.899 1.00 4.13 N ATOM 215 CA LEU A 16 -3.401 -2.294 2.412 1.00 2.00 C ATOM 216 C LEU A 16 -2.657 -3.171 3.414 1.00 14.53 C ATOM 217 O LEU A 16 -2.000 -4.140 3.036 1.00 0.11 O ATOM 218 CB LEU A 16 -2.605 -1.016 2.145 1.00 4.35 C ATOM 219 CG LEU A 16 -1.185 -1.209 1.610 1.00 14.13 C ATOM 220 CD1 LEU A 16 -0.207 -1.416 2.756 1.00 23.12 C ATOM 221 CD2 LEU A 16 -1.135 -2.383 0.644 1.00 41.31 C ATOM 0 H LEU A 16 -4.880 -0.976 3.102 1.00 4.13 H new ATOM 0 HA LEU A 16 -3.507 -2.849 1.480 1.00 2.00 H new ATOM 0 HB2 LEU A 16 -3.161 -0.408 1.432 1.00 4.35 H new ATOM 0 HB3 LEU A 16 -2.548 -0.447 3.073 1.00 4.35 H new ATOM 0 HG LEU A 16 -0.894 -0.308 1.070 1.00 14.13 H new ATOM 0 HD11 LEU A 16 0.798 -1.552 2.357 1.00 23.12 H new ATOM 0 HD12 LEU A 16 -0.223 -0.544 3.410 1.00 23.12 H new ATOM 0 HD13 LEU A 16 -0.494 -2.301 3.324 1.00 23.12 H new ATOM 0 HD21 LEU A 16 -0.117 -2.506 0.273 1.00 41.31 H new ATOM 0 HD22 LEU A 16 -1.446 -3.292 1.159 1.00 41.31 H new ATOM 0 HD23 LEU A 16 -1.806 -2.194 -0.194 1.00 41.31 H new ATOM 233 N GLU A 17 -2.767 -2.824 4.693 1.00 75.01 N ATOM 234 CA GLU A 17 -2.105 -3.581 5.749 1.00 45.02 C ATOM 235 C GLU A 17 -2.847 -4.884 6.031 1.00 73.21 C ATOM 236 O GLU A 17 -2.355 -5.745 6.760 1.00 31.42 O ATOM 237 CB GLU A 17 -2.016 -2.745 7.027 1.00 24.13 C ATOM 238 CG GLU A 17 -0.640 -2.764 7.672 1.00 33.44 C ATOM 239 CD GLU A 17 -0.705 -2.692 9.185 1.00 11.15 C ATOM 240 OE1 GLU A 17 -0.788 -1.567 9.722 1.00 23.01 O ATOM 241 OE2 GLU A 17 -0.671 -3.759 9.833 1.00 11.11 O ATOM 0 H GLU A 17 -3.308 -2.024 5.022 1.00 75.01 H new ATOM 0 HA GLU A 17 -1.097 -3.823 5.411 1.00 45.02 H new ATOM 0 HB2 GLU A 17 -2.286 -1.714 6.796 1.00 24.13 H new ATOM 0 HB3 GLU A 17 -2.749 -3.114 7.744 1.00 24.13 H new ATOM 0 HG2 GLU A 17 -0.117 -3.674 7.377 1.00 33.44 H new ATOM 0 HG3 GLU A 17 -0.055 -1.924 7.297 1.00 33.44 H new ATOM 248 N ARG A 18 -4.035 -5.020 5.450 1.00 64.32 N ATOM 249 CA ARG A 18 -4.846 -6.216 5.639 1.00 22.23 C ATOM 250 C ARG A 18 -4.463 -7.299 4.633 1.00 1.33 C ATOM 251 O ARG A 18 -4.424 -8.484 4.967 1.00 50.54 O ATOM 252 CB ARG A 18 -6.331 -5.879 5.501 1.00 51.15 C ATOM 253 CG ARG A 18 -7.107 -6.001 6.801 1.00 54.22 C ATOM 254 CD ARG A 18 -8.041 -7.201 6.783 1.00 50.25 C ATOM 255 NE ARG A 18 -8.992 -7.171 7.890 1.00 31.15 N ATOM 256 CZ ARG A 18 -10.086 -7.923 7.940 1.00 33.13 C ATOM 257 NH1 ARG A 18 -10.365 -8.759 6.949 1.00 34.00 N ATOM 258 NH2 ARG A 18 -10.902 -7.840 8.983 1.00 74.42 N ATOM 0 H ARG A 18 -4.457 -4.316 4.844 1.00 64.32 H new ATOM 0 HA ARG A 18 -4.659 -6.595 6.644 1.00 22.23 H new ATOM 0 HB2 ARG A 18 -6.430 -4.862 5.123 1.00 51.15 H new ATOM 0 HB3 ARG A 18 -6.777 -6.540 4.758 1.00 51.15 H new ATOM 0 HG2 ARG A 18 -6.410 -6.093 7.634 1.00 54.22 H new ATOM 0 HG3 ARG A 18 -7.685 -5.092 6.968 1.00 54.22 H new ATOM 0 HD2 ARG A 18 -8.585 -7.223 5.839 1.00 50.25 H new ATOM 0 HD3 ARG A 18 -7.454 -8.118 6.834 1.00 50.25 H new ATOM 0 HE ARG A 18 -8.806 -6.538 8.668 1.00 31.15 H new ATOM 0 HH11 ARG A 18 -9.739 -8.826 6.146 1.00 34.00 H new ATOM 0 HH12 ARG A 18 -11.205 -9.335 6.989 1.00 34.00 H new ATOM 0 HH21 ARG A 18 -10.689 -7.199 9.747 1.00 74.42 H new ATOM 0 HH22 ARG A 18 -11.742 -8.418 9.021 1.00 74.42 H new ATOM 272 N ILE A 19 -4.182 -6.882 3.404 1.00 65.45 N ATOM 273 CA ILE A 19 -3.801 -7.816 2.350 1.00 42.21 C ATOM 274 C ILE A 19 -2.668 -8.728 2.807 1.00 34.25 C ATOM 275 O ILE A 19 -1.718 -8.281 3.449 1.00 20.32 O ATOM 276 CB ILE A 19 -3.366 -7.075 1.072 1.00 62.41 C ATOM 277 CG1 ILE A 19 -4.511 -6.209 0.543 1.00 61.01 C ATOM 278 CG2 ILE A 19 -2.912 -8.069 0.013 1.00 44.14 C ATOM 279 CD1 ILE A 19 -4.045 -4.930 -0.117 1.00 12.33 C ATOM 0 H ILE A 19 -4.211 -5.905 3.113 1.00 65.45 H new ATOM 0 HA ILE A 19 -4.682 -8.419 2.128 1.00 42.21 H new ATOM 0 HB ILE A 19 -2.526 -6.424 1.315 1.00 62.41 H new ATOM 0 HG12 ILE A 19 -5.092 -6.788 -0.175 1.00 61.01 H new ATOM 0 HG13 ILE A 19 -5.179 -5.960 1.368 1.00 61.01 H new ATOM 0 HG21 ILE A 19 -2.608 -7.531 -0.885 1.00 44.14 H new ATOM 0 HG22 ILE A 19 -2.069 -8.646 0.393 1.00 44.14 H new ATOM 0 HG23 ILE A 19 -3.734 -8.743 -0.229 1.00 44.14 H new ATOM 0 HD11 ILE A 19 -4.909 -4.366 -0.468 1.00 12.33 H new ATOM 0 HD12 ILE A 19 -3.489 -4.330 0.604 1.00 12.33 H new ATOM 0 HD13 ILE A 19 -3.401 -5.171 -0.963 1.00 12.33 H new ATOM 291 N ARG A 20 -2.775 -10.010 2.470 1.00 51.23 N ATOM 292 CA ARG A 20 -1.759 -10.986 2.845 1.00 15.41 C ATOM 293 C ARG A 20 -0.878 -11.338 1.650 1.00 23.31 C ATOM 294 O ARG A 20 -1.304 -11.237 0.500 1.00 72.44 O ATOM 295 CB ARG A 20 -2.417 -12.251 3.399 1.00 2.20 C ATOM 296 CG ARG A 20 -3.071 -12.052 4.757 1.00 22.10 C ATOM 297 CD ARG A 20 -4.586 -12.136 4.662 1.00 22.10 C ATOM 298 NE ARG A 20 -5.076 -13.491 4.899 1.00 24.44 N ATOM 299 CZ ARG A 20 -5.115 -14.059 6.100 1.00 33.41 C ATOM 300 NH1 ARG A 20 -4.699 -13.391 7.167 1.00 3.22 N ATOM 301 NH2 ARG A 20 -5.574 -15.297 6.235 1.00 14.34 N ATOM 0 H ARG A 20 -3.555 -10.396 1.938 1.00 51.23 H new ATOM 0 HA ARG A 20 -1.132 -10.543 3.619 1.00 15.41 H new ATOM 0 HB2 ARG A 20 -3.169 -12.600 2.691 1.00 2.20 H new ATOM 0 HB3 ARG A 20 -1.665 -13.036 3.479 1.00 2.20 H new ATOM 0 HG2 ARG A 20 -2.706 -12.808 5.452 1.00 22.10 H new ATOM 0 HG3 ARG A 20 -2.784 -11.082 5.162 1.00 22.10 H new ATOM 0 HD2 ARG A 20 -5.033 -11.457 5.388 1.00 22.10 H new ATOM 0 HD3 ARG A 20 -4.906 -11.802 3.675 1.00 22.10 H new ATOM 0 HE ARG A 20 -5.406 -14.031 4.099 1.00 24.44 H new ATOM 0 HH11 ARG A 20 -4.348 -12.439 7.067 1.00 3.22 H new ATOM 0 HH12 ARG A 20 -4.730 -13.830 8.087 1.00 3.22 H new ATOM 0 HH21 ARG A 20 -5.897 -15.813 5.417 1.00 14.34 H new ATOM 0 HH22 ARG A 20 -5.604 -15.732 7.157 1.00 14.34 H new ATOM 315 N LEU A 21 0.353 -11.753 1.932 1.00 13.22 N ATOM 316 CA LEU A 21 1.295 -12.121 0.881 1.00 65.21 C ATOM 317 C LEU A 21 0.900 -13.445 0.235 1.00 64.00 C ATOM 318 O LEU A 21 1.270 -13.725 -0.906 1.00 20.00 O ATOM 319 CB LEU A 21 2.712 -12.219 1.451 1.00 70.54 C ATOM 320 CG LEU A 21 3.260 -10.954 2.110 1.00 54.42 C ATOM 321 CD1 LEU A 21 4.642 -11.210 2.689 1.00 42.42 C ATOM 322 CD2 LEU A 21 3.301 -9.807 1.110 1.00 5.31 C ATOM 0 H LEU A 21 0.721 -11.843 2.879 1.00 13.22 H new ATOM 0 HA LEU A 21 1.271 -11.345 0.116 1.00 65.21 H new ATOM 0 HB2 LEU A 21 2.732 -13.024 2.185 1.00 70.54 H new ATOM 0 HB3 LEU A 21 3.387 -12.506 0.645 1.00 70.54 H new ATOM 0 HG LEU A 21 2.594 -10.674 2.926 1.00 54.42 H new ATOM 0 HD11 LEU A 21 5.016 -10.298 3.154 1.00 42.42 H new ATOM 0 HD12 LEU A 21 4.582 -12.001 3.437 1.00 42.42 H new ATOM 0 HD13 LEU A 21 5.320 -11.515 1.892 1.00 42.42 H new ATOM 0 HD21 LEU A 21 3.694 -8.914 1.596 1.00 5.31 H new ATOM 0 HD22 LEU A 21 3.945 -10.077 0.273 1.00 5.31 H new ATOM 0 HD23 LEU A 21 2.294 -9.607 0.744 1.00 5.31 H new ATOM 334 N ARG A 22 0.148 -14.256 0.971 1.00 31.13 N ATOM 335 CA ARG A 22 -0.298 -15.550 0.470 1.00 21.55 C ATOM 336 C ARG A 22 -1.740 -15.826 0.884 1.00 30.30 C ATOM 337 O ARG A 22 -2.269 -15.226 1.820 1.00 30.31 O ATOM 338 CB ARG A 22 0.614 -16.664 0.989 1.00 1.43 C ATOM 339 CG ARG A 22 1.756 -17.003 0.046 1.00 65.40 C ATOM 340 CD ARG A 22 2.811 -17.857 0.734 1.00 44.43 C ATOM 341 NE ARG A 22 3.234 -18.981 -0.098 1.00 35.23 N ATOM 342 CZ ARG A 22 2.544 -20.111 -0.210 1.00 31.13 C ATOM 343 NH1 ARG A 22 1.406 -20.265 0.452 1.00 33.14 N ATOM 344 NH2 ARG A 22 2.992 -21.089 -0.986 1.00 12.44 N ATOM 0 H ARG A 22 -0.165 -14.040 1.917 1.00 31.13 H new ATOM 0 HA ARG A 22 -0.249 -15.526 -0.619 1.00 21.55 H new ATOM 0 HB2 ARG A 22 1.026 -16.365 1.953 1.00 1.43 H new ATOM 0 HB3 ARG A 22 0.018 -17.560 1.161 1.00 1.43 H new ATOM 0 HG2 ARG A 22 1.367 -17.533 -0.823 1.00 65.40 H new ATOM 0 HG3 ARG A 22 2.212 -16.083 -0.320 1.00 65.40 H new ATOM 0 HD2 ARG A 22 3.676 -17.239 0.976 1.00 44.43 H new ATOM 0 HD3 ARG A 22 2.414 -18.233 1.677 1.00 44.43 H new ATOM 0 HE ARG A 22 4.105 -18.894 -0.621 1.00 35.23 H new ATOM 0 HH11 ARG A 22 1.058 -19.515 1.049 1.00 33.14 H new ATOM 0 HH12 ARG A 22 0.878 -21.134 0.364 1.00 33.14 H new ATOM 0 HH21 ARG A 22 3.867 -20.974 -1.497 1.00 12.44 H new ATOM 0 HH22 ARG A 22 2.462 -21.956 -1.071 1.00 12.44 H new ATOM 358 N PRO A 23 -2.394 -16.756 0.171 1.00 42.22 N ATOM 359 CA PRO A 23 -3.784 -17.132 0.445 1.00 4.00 C ATOM 360 C PRO A 23 -3.928 -17.897 1.757 1.00 52.45 C ATOM 361 O PRO A 23 -4.942 -17.780 2.446 1.00 44.04 O ATOM 362 CB PRO A 23 -4.148 -18.029 -0.740 1.00 20.51 C ATOM 363 CG PRO A 23 -2.848 -18.584 -1.210 1.00 23.33 C ATOM 364 CD PRO A 23 -1.825 -17.510 -0.958 1.00 75.21 C ATOM 0 HA PRO A 23 -4.430 -16.260 0.551 1.00 4.00 H new ATOM 0 HB2 PRO A 23 -4.832 -18.823 -0.440 1.00 20.51 H new ATOM 0 HB3 PRO A 23 -4.644 -17.462 -1.528 1.00 20.51 H new ATOM 0 HG2 PRO A 23 -2.596 -19.497 -0.671 1.00 23.33 H new ATOM 0 HG3 PRO A 23 -2.893 -18.840 -2.269 1.00 23.33 H new ATOM 0 HD2 PRO A 23 -0.852 -17.933 -0.709 1.00 75.21 H new ATOM 0 HD3 PRO A 23 -1.683 -16.877 -1.834 1.00 75.21 H new ATOM 372 N GLY A 24 -2.909 -18.678 2.097 1.00 5.05 N ATOM 373 CA GLY A 24 -2.943 -19.450 3.326 1.00 15.13 C ATOM 374 C GLY A 24 -1.877 -19.017 4.313 1.00 54.41 C ATOM 375 O GLY A 24 -1.603 -19.715 5.287 1.00 12.21 O ATOM 0 H GLY A 24 -2.060 -18.791 1.544 1.00 5.05 H new ATOM 0 HA2 GLY A 24 -3.925 -19.348 3.788 1.00 15.13 H new ATOM 0 HA3 GLY A 24 -2.809 -20.506 3.092 1.00 15.13 H new ATOM 379 N GLY A 25 -1.273 -17.859 4.059 1.00 74.23 N ATOM 380 CA GLY A 25 -0.237 -17.354 4.941 1.00 72.22 C ATOM 381 C GLY A 25 -0.779 -16.394 5.981 1.00 64.31 C ATOM 382 O GLY A 25 -1.984 -16.158 6.052 1.00 31.31 O ATOM 0 H GLY A 25 -1.483 -17.263 3.259 1.00 74.23 H new ATOM 0 HA2 GLY A 25 0.249 -18.191 5.442 1.00 72.22 H new ATOM 0 HA3 GLY A 25 0.527 -16.850 4.349 1.00 72.22 H new ATOM 386 N LYS A 26 0.115 -15.840 6.793 1.00 53.42 N ATOM 387 CA LYS A 26 -0.279 -14.899 7.837 1.00 44.24 C ATOM 388 C LYS A 26 0.482 -13.584 7.699 1.00 73.11 C ATOM 389 O LYS A 26 0.318 -12.672 8.509 1.00 30.04 O ATOM 390 CB LYS A 26 -0.025 -15.505 9.218 1.00 13.34 C ATOM 391 CG LYS A 26 -0.916 -14.932 10.306 1.00 14.14 C ATOM 392 CD LYS A 26 -0.108 -14.493 11.516 1.00 54.43 C ATOM 393 CE LYS A 26 0.438 -15.686 12.284 1.00 3.32 C ATOM 394 NZ LYS A 26 -0.262 -15.876 13.585 1.00 64.53 N ATOM 0 H LYS A 26 1.117 -16.026 6.749 1.00 53.42 H new ATOM 0 HA LYS A 26 -1.344 -14.695 7.726 1.00 44.24 H new ATOM 0 HB2 LYS A 26 -0.177 -16.583 9.166 1.00 13.34 H new ATOM 0 HB3 LYS A 26 1.018 -15.343 9.491 1.00 13.34 H new ATOM 0 HG2 LYS A 26 -1.473 -14.082 9.911 1.00 14.14 H new ATOM 0 HG3 LYS A 26 -1.649 -15.680 10.609 1.00 14.14 H new ATOM 0 HD2 LYS A 26 0.717 -13.858 11.193 1.00 54.43 H new ATOM 0 HD3 LYS A 26 -0.734 -13.891 12.174 1.00 54.43 H new ATOM 0 HE2 LYS A 26 0.331 -16.587 11.679 1.00 3.32 H new ATOM 0 HE3 LYS A 26 1.504 -15.546 12.462 1.00 3.32 H new ATOM 0 HZ1 LYS A 26 0.139 -16.699 14.078 1.00 64.53 H new ATOM 0 HZ2 LYS A 26 -0.139 -15.027 14.173 1.00 64.53 H new ATOM 0 HZ3 LYS A 26 -1.275 -16.035 13.414 1.00 64.53 H new ATOM 408 N LYS A 27 1.313 -13.492 6.666 1.00 50.04 N ATOM 409 CA LYS A 27 2.097 -12.287 6.419 1.00 11.24 C ATOM 410 C LYS A 27 1.259 -11.228 5.711 1.00 75.32 C ATOM 411 O LYS A 27 0.712 -11.471 4.635 1.00 71.21 O ATOM 412 CB LYS A 27 3.332 -12.621 5.580 1.00 5.43 C ATOM 413 CG LYS A 27 4.470 -13.223 6.386 1.00 25.11 C ATOM 414 CD LYS A 27 5.584 -13.731 5.485 1.00 15.52 C ATOM 415 CE LYS A 27 6.894 -13.006 5.756 1.00 21.11 C ATOM 416 NZ LYS A 27 6.791 -11.549 5.467 1.00 13.31 N ATOM 0 H LYS A 27 1.461 -14.238 5.986 1.00 50.04 H new ATOM 0 HA LYS A 27 2.416 -11.888 7.382 1.00 11.24 H new ATOM 0 HB2 LYS A 27 3.048 -13.318 4.792 1.00 5.43 H new ATOM 0 HB3 LYS A 27 3.685 -11.713 5.091 1.00 5.43 H new ATOM 0 HG2 LYS A 27 4.868 -12.474 7.071 1.00 25.11 H new ATOM 0 HG3 LYS A 27 4.091 -14.043 6.996 1.00 25.11 H new ATOM 0 HD2 LYS A 27 5.720 -14.801 5.641 1.00 15.52 H new ATOM 0 HD3 LYS A 27 5.300 -13.594 4.441 1.00 15.52 H new ATOM 0 HE2 LYS A 27 7.180 -13.150 6.798 1.00 21.11 H new ATOM 0 HE3 LYS A 27 7.684 -13.443 5.145 1.00 21.11 H new ATOM 0 HZ1 LYS A 27 7.502 -11.285 4.756 1.00 13.31 H new ATOM 0 HZ2 LYS A 27 5.841 -11.334 5.103 1.00 13.31 H new ATOM 0 HZ3 LYS A 27 6.958 -11.009 6.340 1.00 13.31 H new ATOM 430 N LYS A 28 1.162 -10.051 6.320 1.00 32.00 N ATOM 431 CA LYS A 28 0.393 -8.953 5.747 1.00 74.22 C ATOM 432 C LYS A 28 1.315 -7.852 5.233 1.00 62.40 C ATOM 433 O LYS A 28 2.364 -7.585 5.819 1.00 4.51 O ATOM 434 CB LYS A 28 -0.571 -8.380 6.788 1.00 35.42 C ATOM 435 CG LYS A 28 -1.376 -9.440 7.520 1.00 75.33 C ATOM 436 CD LYS A 28 -2.252 -8.828 8.600 1.00 15.54 C ATOM 437 CE LYS A 28 -2.345 -9.731 9.821 1.00 42.01 C ATOM 438 NZ LYS A 28 -2.370 -8.949 11.089 1.00 64.53 N ATOM 0 H LYS A 28 1.607 -9.833 7.212 1.00 32.00 H new ATOM 0 HA LYS A 28 -0.180 -9.345 4.906 1.00 74.22 H new ATOM 0 HB2 LYS A 28 -0.004 -7.800 7.516 1.00 35.42 H new ATOM 0 HB3 LYS A 28 -1.257 -7.691 6.295 1.00 35.42 H new ATOM 0 HG2 LYS A 28 -1.999 -9.981 6.808 1.00 75.33 H new ATOM 0 HG3 LYS A 28 -0.699 -10.167 7.968 1.00 75.33 H new ATOM 0 HD2 LYS A 28 -1.847 -7.859 8.893 1.00 15.54 H new ATOM 0 HD3 LYS A 28 -3.251 -8.649 8.202 1.00 15.54 H new ATOM 0 HE2 LYS A 28 -3.245 -10.342 9.753 1.00 42.01 H new ATOM 0 HE3 LYS A 28 -1.496 -10.415 9.833 1.00 42.01 H new ATOM 0 HZ1 LYS A 28 -2.434 -9.600 11.897 1.00 64.53 H new ATOM 0 HZ2 LYS A 28 -1.499 -8.385 11.166 1.00 64.53 H new ATOM 0 HZ3 LYS A 28 -3.194 -8.315 11.090 1.00 64.53 H new ATOM 452 N TYR A 29 0.917 -7.218 4.136 1.00 40.24 N ATOM 453 CA TYR A 29 1.710 -6.148 3.543 1.00 50.43 C ATOM 454 C TYR A 29 1.896 -4.997 4.528 1.00 64.11 C ATOM 455 O TYR A 29 1.003 -4.691 5.317 1.00 32.45 O ATOM 456 CB TYR A 29 1.040 -5.636 2.267 1.00 72.25 C ATOM 457 CG TYR A 29 1.335 -6.481 1.048 1.00 52.44 C ATOM 458 CD1 TYR A 29 2.578 -6.432 0.428 1.00 33.05 C ATOM 459 CD2 TYR A 29 0.370 -7.327 0.514 1.00 33.41 C ATOM 460 CE1 TYR A 29 2.851 -7.201 -0.686 1.00 24.21 C ATOM 461 CE2 TYR A 29 0.635 -8.101 -0.598 1.00 42.35 C ATOM 462 CZ TYR A 29 1.877 -8.035 -1.195 1.00 22.23 C ATOM 463 OH TYR A 29 2.145 -8.803 -2.304 1.00 60.43 O ATOM 0 H TYR A 29 0.051 -7.426 3.640 1.00 40.24 H new ATOM 0 HA TYR A 29 2.691 -6.553 3.295 1.00 50.43 H new ATOM 0 HB2 TYR A 29 -0.038 -5.600 2.422 1.00 72.25 H new ATOM 0 HB3 TYR A 29 1.369 -4.614 2.079 1.00 72.25 H new ATOM 0 HD1 TYR A 29 3.343 -5.781 0.824 1.00 33.05 H new ATOM 0 HD2 TYR A 29 -0.604 -7.380 0.977 1.00 33.41 H new ATOM 0 HE1 TYR A 29 3.822 -7.150 -1.156 1.00 24.21 H new ATOM 0 HE2 TYR A 29 -0.126 -8.755 -0.998 1.00 42.35 H new ATOM 0 HH TYR A 29 1.552 -9.583 -2.313 1.00 60.43 H new ATOM 473 N ARG A 30 3.064 -4.365 4.475 1.00 10.01 N ATOM 474 CA ARG A 30 3.369 -3.250 5.362 1.00 11.13 C ATOM 475 C ARG A 30 4.375 -2.301 4.717 1.00 34.33 C ATOM 476 O ARG A 30 4.986 -2.627 3.698 1.00 41.32 O ATOM 477 CB ARG A 30 3.920 -3.765 6.693 1.00 34.14 C ATOM 478 CG ARG A 30 3.118 -3.310 7.902 1.00 50.35 C ATOM 479 CD ARG A 30 4.007 -2.650 8.944 1.00 61.21 C ATOM 480 NE ARG A 30 3.258 -2.265 10.138 1.00 41.23 N ATOM 481 CZ ARG A 30 2.391 -1.258 10.168 1.00 71.31 C ATOM 482 NH1 ARG A 30 2.165 -0.540 9.077 1.00 71.11 N ATOM 483 NH2 ARG A 30 1.748 -0.969 11.292 1.00 23.21 N ATOM 0 H ARG A 30 3.814 -4.606 3.827 1.00 10.01 H new ATOM 0 HA ARG A 30 2.445 -2.702 5.546 1.00 11.13 H new ATOM 0 HB2 ARG A 30 3.941 -4.855 6.671 1.00 34.14 H new ATOM 0 HB3 ARG A 30 4.951 -3.429 6.804 1.00 34.14 H new ATOM 0 HG2 ARG A 30 2.346 -2.609 7.585 1.00 50.35 H new ATOM 0 HG3 ARG A 30 2.609 -4.166 8.346 1.00 50.35 H new ATOM 0 HD2 ARG A 30 4.808 -3.335 9.223 1.00 61.21 H new ATOM 0 HD3 ARG A 30 4.479 -1.768 8.512 1.00 61.21 H new ATOM 0 HE ARG A 30 3.409 -2.798 10.995 1.00 41.23 H new ATOM 0 HH11 ARG A 30 2.657 -0.760 8.211 1.00 71.11 H new ATOM 0 HH12 ARG A 30 1.499 0.232 9.103 1.00 71.11 H new ATOM 0 HH21 ARG A 30 1.919 -1.520 12.133 1.00 23.21 H new ATOM 0 HH22 ARG A 30 1.083 -0.196 11.315 1.00 23.21 H new ATOM 497 N LEU A 31 4.541 -1.127 5.315 1.00 22.02 N ATOM 498 CA LEU A 31 5.472 -0.130 4.799 1.00 24.03 C ATOM 499 C LEU A 31 6.802 -0.772 4.419 1.00 63.25 C ATOM 500 O LEU A 31 7.456 -0.354 3.463 1.00 53.25 O ATOM 501 CB LEU A 31 5.704 0.968 5.839 1.00 74.21 C ATOM 502 CG LEU A 31 5.079 2.329 5.528 1.00 52.34 C ATOM 503 CD1 LEU A 31 3.570 2.279 5.709 1.00 32.33 C ATOM 504 CD2 LEU A 31 5.688 3.410 6.409 1.00 63.33 C ATOM 0 H LEU A 31 4.043 -0.842 6.158 1.00 22.02 H new ATOM 0 HA LEU A 31 5.032 0.311 3.905 1.00 24.03 H new ATOM 0 HB2 LEU A 31 5.315 0.622 6.797 1.00 74.21 H new ATOM 0 HB3 LEU A 31 6.779 1.103 5.962 1.00 74.21 H new ATOM 0 HG LEU A 31 5.291 2.574 4.487 1.00 52.34 H new ATOM 0 HD11 LEU A 31 3.144 3.256 5.483 1.00 32.33 H new ATOM 0 HD12 LEU A 31 3.147 1.534 5.035 1.00 32.33 H new ATOM 0 HD13 LEU A 31 3.336 2.010 6.739 1.00 32.33 H new ATOM 0 HD21 LEU A 31 5.231 4.371 6.174 1.00 63.33 H new ATOM 0 HD22 LEU A 31 5.508 3.170 7.457 1.00 63.33 H new ATOM 0 HD23 LEU A 31 6.762 3.465 6.228 1.00 63.33 H new ATOM 516 N LYS A 32 7.198 -1.794 5.171 1.00 12.43 N ATOM 517 CA LYS A 32 8.447 -2.497 4.912 1.00 61.41 C ATOM 518 C LYS A 32 8.550 -2.901 3.444 1.00 44.20 C ATOM 519 O LYS A 32 9.594 -2.730 2.815 1.00 1.22 O ATOM 520 CB LYS A 32 8.552 -3.739 5.802 1.00 52.23 C ATOM 521 CG LYS A 32 9.905 -3.892 6.475 1.00 74.52 C ATOM 522 CD LYS A 32 10.403 -5.326 6.407 1.00 74.32 C ATOM 523 CE LYS A 32 11.516 -5.578 7.411 1.00 31.22 C ATOM 524 NZ LYS A 32 11.084 -6.502 8.498 1.00 50.34 N ATOM 0 H LYS A 32 6.670 -2.154 5.966 1.00 12.43 H new ATOM 0 HA LYS A 32 9.270 -1.821 5.144 1.00 61.41 H new ATOM 0 HB2 LYS A 32 7.778 -3.693 6.568 1.00 52.23 H new ATOM 0 HB3 LYS A 32 8.353 -4.625 5.200 1.00 52.23 H new ATOM 0 HG2 LYS A 32 10.628 -3.232 5.995 1.00 74.52 H new ATOM 0 HG3 LYS A 32 9.831 -3.581 7.517 1.00 74.52 H new ATOM 0 HD2 LYS A 32 9.576 -6.009 6.600 1.00 74.32 H new ATOM 0 HD3 LYS A 32 10.764 -5.539 5.401 1.00 74.32 H new ATOM 0 HE2 LYS A 32 12.380 -6.000 6.897 1.00 31.22 H new ATOM 0 HE3 LYS A 32 11.835 -4.630 7.845 1.00 31.22 H new ATOM 0 HZ1 LYS A 32 11.871 -6.649 9.162 1.00 50.34 H new ATOM 0 HZ2 LYS A 32 10.276 -6.088 9.005 1.00 50.34 H new ATOM 0 HZ3 LYS A 32 10.804 -7.415 8.087 1.00 50.34 H new ATOM 538 N HIS A 33 7.460 -3.437 2.905 1.00 40.14 N ATOM 539 CA HIS A 33 7.426 -3.863 1.510 1.00 44.22 C ATOM 540 C HIS A 33 7.368 -2.657 0.576 1.00 32.14 C ATOM 541 O HIS A 33 8.113 -2.664 -0.404 1.00 4.25 O ATOM 542 CB HIS A 33 6.224 -4.773 1.260 1.00 21.54 C ATOM 543 CG HIS A 33 6.119 -5.907 2.235 1.00 4.10 C ATOM 544 ND1 HIS A 33 5.102 -6.014 3.159 1.00 13.54 N ATOM 545 CD2 HIS A 33 6.912 -6.987 2.426 1.00 3.24 C ATOM 546 CE1 HIS A 33 5.274 -7.109 3.876 1.00 33.21 C ATOM 547 NE2 HIS A 33 6.365 -7.719 3.451 1.00 45.31 N ATOM 0 H HIS A 33 6.588 -3.587 3.413 1.00 40.14 H new ATOM 0 HA HIS A 33 8.341 -4.419 1.304 1.00 44.22 H new ATOM 0 HB2 HIS A 33 5.312 -4.178 1.307 1.00 21.54 H new ATOM 0 HB3 HIS A 33 6.289 -5.178 0.250 1.00 21.54 H new ATOM 0 HD2 HIS A 33 7.809 -7.228 1.875 1.00 3.24 H new ATOM 0 HE1 HIS A 33 4.631 -7.448 4.675 1.00 33.21 H new ATOM 0 HE2 HIS A 33 6.740 -8.591 3.823 1.00 45.31 H new ATOM 555 N ILE A 34 6.532 -1.660 0.842 1.00 13.32 N ATOM 556 CA ILE A 34 6.442 -0.487 -0.020 1.00 24.23 C ATOM 557 C ILE A 34 7.811 0.154 -0.219 1.00 12.50 C ATOM 558 O ILE A 34 8.115 0.672 -1.293 1.00 63.43 O ATOM 559 CB ILE A 34 5.473 0.562 0.556 1.00 53.14 C ATOM 560 CG1 ILE A 34 4.110 -0.071 0.839 1.00 70.34 C ATOM 561 CG2 ILE A 34 5.330 1.734 -0.405 1.00 24.21 C ATOM 562 CD1 ILE A 34 3.088 0.907 1.375 1.00 44.53 C ATOM 0 H ILE A 34 5.907 -1.640 1.648 1.00 13.32 H new ATOM 0 HA ILE A 34 6.061 -0.830 -0.982 1.00 24.23 H new ATOM 0 HB ILE A 34 5.881 0.935 1.496 1.00 53.14 H new ATOM 0 HG12 ILE A 34 3.728 -0.516 -0.080 1.00 70.34 H new ATOM 0 HG13 ILE A 34 4.237 -0.881 1.557 1.00 70.34 H new ATOM 0 HG21 ILE A 34 4.642 2.467 0.016 1.00 24.21 H new ATOM 0 HG22 ILE A 34 6.304 2.198 -0.561 1.00 24.21 H new ATOM 0 HG23 ILE A 34 4.941 1.377 -1.359 1.00 24.21 H new ATOM 0 HD11 ILE A 34 2.146 0.388 1.552 1.00 44.53 H new ATOM 0 HD12 ILE A 34 3.449 1.334 2.311 1.00 44.53 H new ATOM 0 HD13 ILE A 34 2.932 1.705 0.649 1.00 44.53 H new ATOM 574 N VAL A 35 8.633 0.118 0.825 1.00 20.41 N ATOM 575 CA VAL A 35 9.972 0.694 0.765 1.00 74.13 C ATOM 576 C VAL A 35 10.915 -0.192 -0.041 1.00 60.31 C ATOM 577 O VAL A 35 11.768 0.302 -0.778 1.00 3.24 O ATOM 578 CB VAL A 35 10.557 0.901 2.174 1.00 11.20 C ATOM 579 CG1 VAL A 35 11.977 1.438 2.089 1.00 65.14 C ATOM 580 CG2 VAL A 35 9.673 1.836 2.986 1.00 71.31 C ATOM 0 H VAL A 35 8.395 -0.304 1.723 1.00 20.41 H new ATOM 0 HA VAL A 35 9.879 1.662 0.273 1.00 74.13 H new ATOM 0 HB VAL A 35 10.588 -0.064 2.680 1.00 11.20 H new ATOM 0 HG11 VAL A 35 12.374 1.578 3.094 1.00 65.14 H new ATOM 0 HG12 VAL A 35 12.603 0.728 1.548 1.00 65.14 H new ATOM 0 HG13 VAL A 35 11.974 2.393 1.564 1.00 65.14 H new ATOM 0 HG21 VAL A 35 10.102 1.971 3.979 1.00 71.31 H new ATOM 0 HG22 VAL A 35 9.608 2.802 2.485 1.00 71.31 H new ATOM 0 HG23 VAL A 35 8.675 1.406 3.077 1.00 71.31 H new ATOM 590 N TRP A 36 10.756 -1.502 0.105 1.00 72.31 N ATOM 591 CA TRP A 36 11.594 -2.459 -0.610 1.00 41.31 C ATOM 592 C TRP A 36 11.310 -2.418 -2.108 1.00 1.24 C ATOM 593 O TRP A 36 12.177 -2.737 -2.921 1.00 54.01 O ATOM 594 CB TRP A 36 11.363 -3.872 -0.073 1.00 75.20 C ATOM 595 CG TRP A 36 12.178 -4.915 -0.776 1.00 11.11 C ATOM 596 CD1 TRP A 36 13.413 -5.373 -0.412 1.00 33.53 C ATOM 597 CD2 TRP A 36 11.818 -5.627 -1.965 1.00 52.02 C ATOM 598 NE1 TRP A 36 13.841 -6.327 -1.303 1.00 71.42 N ATOM 599 CE2 TRP A 36 12.880 -6.502 -2.264 1.00 65.23 C ATOM 600 CE3 TRP A 36 10.701 -5.613 -2.804 1.00 41.24 C ATOM 601 CZ2 TRP A 36 12.856 -7.351 -3.367 1.00 5.23 C ATOM 602 CZ3 TRP A 36 10.679 -6.456 -3.899 1.00 10.35 C ATOM 603 CH2 TRP A 36 11.750 -7.316 -4.172 1.00 5.34 C ATOM 0 H TRP A 36 10.055 -1.927 0.712 1.00 72.31 H new ATOM 0 HA TRP A 36 12.636 -2.183 -0.449 1.00 41.31 H new ATOM 0 HB2 TRP A 36 11.600 -3.892 0.991 1.00 75.20 H new ATOM 0 HB3 TRP A 36 10.306 -4.121 -0.169 1.00 75.20 H new ATOM 0 HD1 TRP A 36 13.970 -5.035 0.449 1.00 33.53 H new ATOM 0 HE1 TRP A 36 14.730 -6.825 -1.257 1.00 71.42 H new ATOM 0 HE3 TRP A 36 9.869 -4.955 -2.600 1.00 41.24 H new ATOM 0 HZ2 TRP A 36 13.681 -8.014 -3.580 1.00 5.23 H new ATOM 0 HZ3 TRP A 36 9.821 -6.451 -4.555 1.00 10.35 H new ATOM 0 HH2 TRP A 36 11.702 -7.964 -5.035 1.00 5.34 H new ATOM 614 N ALA A 37 10.093 -2.023 -2.465 1.00 13.11 N ATOM 615 CA ALA A 37 9.697 -1.938 -3.865 1.00 11.13 C ATOM 616 C ALA A 37 10.332 -0.729 -4.543 1.00 21.44 C ATOM 617 O ALA A 37 11.010 -0.862 -5.562 1.00 32.44 O ATOM 618 CB ALA A 37 8.181 -1.875 -3.982 1.00 2.25 C ATOM 0 H ALA A 37 9.364 -1.757 -1.804 1.00 13.11 H new ATOM 0 HA ALA A 37 10.053 -2.835 -4.372 1.00 11.13 H new ATOM 0 HB1 ALA A 37 7.900 -1.812 -5.033 1.00 2.25 H new ATOM 0 HB2 ALA A 37 7.745 -2.772 -3.543 1.00 2.25 H new ATOM 0 HB3 ALA A 37 7.812 -0.996 -3.454 1.00 2.25 H new ATOM 624 N ALA A 38 10.109 0.450 -3.971 1.00 71.34 N ATOM 625 CA ALA A 38 10.662 1.681 -4.520 1.00 53.31 C ATOM 626 C ALA A 38 12.185 1.666 -4.479 1.00 2.50 C ATOM 627 O ALA A 38 12.845 2.234 -5.349 1.00 62.23 O ATOM 628 CB ALA A 38 10.123 2.886 -3.761 1.00 64.20 C ATOM 0 H ALA A 38 9.549 0.578 -3.128 1.00 71.34 H new ATOM 0 HA ALA A 38 10.354 1.754 -5.563 1.00 53.31 H new ATOM 0 HB1 ALA A 38 10.544 3.799 -4.182 1.00 64.20 H new ATOM 0 HB2 ALA A 38 9.037 2.914 -3.847 1.00 64.20 H new ATOM 0 HB3 ALA A 38 10.402 2.808 -2.710 1.00 64.20 H new ATOM 634 N ASN A 39 12.739 1.014 -3.463 1.00 30.33 N ATOM 635 CA ASN A 39 14.187 0.926 -3.308 1.00 33.25 C ATOM 636 C ASN A 39 14.803 0.093 -4.427 1.00 4.31 C ATOM 637 O ASN A 39 15.876 0.417 -4.938 1.00 10.40 O ATOM 638 CB ASN A 39 14.538 0.315 -1.950 1.00 2.45 C ATOM 639 CG ASN A 39 14.675 1.364 -0.862 1.00 44.54 C ATOM 640 OD1 ASN A 39 13.698 2.009 -0.480 1.00 44.14 O ATOM 641 ND2 ASN A 39 15.891 1.539 -0.359 1.00 44.43 N ATOM 0 H ASN A 39 12.207 0.538 -2.734 1.00 30.33 H new ATOM 0 HA ASN A 39 14.596 1.935 -3.362 1.00 33.25 H new ATOM 0 HB2 ASN A 39 13.766 -0.400 -1.666 1.00 2.45 H new ATOM 0 HB3 ASN A 39 15.472 -0.241 -2.035 1.00 2.45 H new ATOM 0 HD21 ASN A 39 16.045 2.231 0.375 1.00 44.43 H new ATOM 0 HD22 ASN A 39 16.672 0.982 -0.706 1.00 44.43 H new ATOM 648 N LYS A 40 14.119 -0.982 -4.804 1.00 3.35 N ATOM 649 CA LYS A 40 14.598 -1.861 -5.864 1.00 33.43 C ATOM 650 C LYS A 40 14.501 -1.177 -7.223 1.00 41.34 C ATOM 651 O LYS A 40 15.335 -1.398 -8.102 1.00 63.21 O ATOM 652 CB LYS A 40 13.793 -3.163 -5.878 1.00 52.42 C ATOM 653 CG LYS A 40 14.048 -4.049 -4.671 1.00 14.42 C ATOM 654 CD LYS A 40 15.141 -5.066 -4.948 1.00 30.33 C ATOM 655 CE LYS A 40 16.494 -4.580 -4.452 1.00 62.15 C ATOM 656 NZ LYS A 40 17.616 -5.170 -5.234 1.00 0.31 N ATOM 0 H LYS A 40 13.231 -1.266 -4.391 1.00 3.35 H new ATOM 0 HA LYS A 40 15.645 -2.090 -5.666 1.00 33.43 H new ATOM 0 HB2 LYS A 40 12.731 -2.923 -5.924 1.00 52.42 H new ATOM 0 HB3 LYS A 40 14.034 -3.719 -6.784 1.00 52.42 H new ATOM 0 HG2 LYS A 40 14.332 -3.432 -3.819 1.00 14.42 H new ATOM 0 HG3 LYS A 40 13.129 -4.567 -4.398 1.00 14.42 H new ATOM 0 HD2 LYS A 40 14.892 -6.010 -4.463 1.00 30.33 H new ATOM 0 HD3 LYS A 40 15.194 -5.262 -6.019 1.00 30.33 H new ATOM 0 HE2 LYS A 40 16.536 -3.493 -4.519 1.00 62.15 H new ATOM 0 HE3 LYS A 40 16.609 -4.839 -3.399 1.00 62.15 H new ATOM 0 HZ1 LYS A 40 18.521 -4.814 -4.865 1.00 0.31 H new ATOM 0 HZ2 LYS A 40 17.591 -6.206 -5.149 1.00 0.31 H new ATOM 0 HZ3 LYS A 40 17.520 -4.902 -6.234 1.00 0.31 H new ATOM 670 N LEU A 41 13.479 -0.343 -7.390 1.00 64.34 N ATOM 671 CA LEU A 41 13.275 0.376 -8.643 1.00 25.44 C ATOM 672 C LEU A 41 14.443 1.313 -8.930 1.00 43.11 C ATOM 673 O LEU A 41 15.166 1.138 -9.912 1.00 11.43 O ATOM 674 CB LEU A 41 11.970 1.170 -8.590 1.00 33.13 C ATOM 675 CG LEU A 41 10.680 0.347 -8.620 1.00 44.32 C ATOM 676 CD1 LEU A 41 9.465 1.256 -8.530 1.00 55.22 C ATOM 677 CD2 LEU A 41 10.621 -0.504 -9.880 1.00 32.34 C ATOM 0 H LEU A 41 12.779 -0.148 -6.674 1.00 64.34 H new ATOM 0 HA LEU A 41 13.215 -0.356 -9.448 1.00 25.44 H new ATOM 0 HB2 LEU A 41 11.972 1.773 -7.682 1.00 33.13 H new ATOM 0 HB3 LEU A 41 11.955 1.862 -9.432 1.00 33.13 H new ATOM 0 HG LEU A 41 10.674 -0.318 -7.756 1.00 44.32 H new ATOM 0 HD11 LEU A 41 8.557 0.653 -8.553 1.00 55.22 H new ATOM 0 HD12 LEU A 41 9.502 1.821 -7.599 1.00 55.22 H new ATOM 0 HD13 LEU A 41 9.464 1.946 -9.374 1.00 55.22 H new ATOM 0 HD21 LEU A 41 9.697 -1.083 -9.885 1.00 32.34 H new ATOM 0 HD22 LEU A 41 10.649 0.142 -10.757 1.00 32.34 H new ATOM 0 HD23 LEU A 41 11.474 -1.182 -9.901 1.00 32.34 H new ATOM 689 N ASP A 42 14.624 2.306 -8.067 1.00 55.11 N ATOM 690 CA ASP A 42 15.706 3.270 -8.225 1.00 43.01 C ATOM 691 C ASP A 42 17.036 2.560 -8.465 1.00 35.44 C ATOM 692 O ASP A 42 17.806 2.943 -9.345 1.00 50.42 O ATOM 693 CB ASP A 42 15.807 4.164 -6.989 1.00 14.42 C ATOM 694 CG ASP A 42 14.875 5.359 -7.060 1.00 61.24 C ATOM 695 OD1 ASP A 42 13.655 5.171 -6.873 1.00 64.11 O ATOM 696 OD2 ASP A 42 15.366 6.481 -7.305 1.00 31.40 O ATOM 0 H ASP A 42 14.035 2.465 -7.250 1.00 55.11 H new ATOM 0 HA ASP A 42 15.483 3.889 -9.094 1.00 43.01 H new ATOM 0 HB2 ASP A 42 15.574 3.578 -6.100 1.00 14.42 H new ATOM 0 HB3 ASP A 42 16.834 4.514 -6.880 1.00 14.42 H new ATOM 701 N ARG A 43 17.298 1.525 -7.674 1.00 30.22 N ATOM 702 CA ARG A 43 18.534 0.762 -7.797 1.00 44.53 C ATOM 703 C ARG A 43 18.620 0.083 -9.161 1.00 72.21 C ATOM 704 O ARG A 43 19.503 0.386 -9.964 1.00 4.45 O ATOM 705 CB ARG A 43 18.626 -0.286 -6.687 1.00 74.33 C ATOM 706 CG ARG A 43 19.729 -0.010 -5.679 1.00 34.13 C ATOM 707 CD ARG A 43 19.515 1.319 -4.970 1.00 23.33 C ATOM 708 NE ARG A 43 20.489 1.532 -3.901 1.00 71.15 N ATOM 709 CZ ARG A 43 20.671 2.700 -3.296 1.00 71.31 C ATOM 710 NH1 ARG A 43 19.951 3.755 -3.651 1.00 63.21 N ATOM 711 NH2 ARG A 43 21.576 2.814 -2.332 1.00 51.12 N ATOM 0 H ARG A 43 16.670 1.195 -6.941 1.00 30.22 H new ATOM 0 HA ARG A 43 19.370 1.455 -7.701 1.00 44.53 H new ATOM 0 HB2 ARG A 43 17.671 -0.334 -6.164 1.00 74.33 H new ATOM 0 HB3 ARG A 43 18.793 -1.265 -7.136 1.00 74.33 H new ATOM 0 HG2 ARG A 43 19.762 -0.815 -4.944 1.00 34.13 H new ATOM 0 HG3 ARG A 43 20.694 -0.002 -6.186 1.00 34.13 H new ATOM 0 HD2 ARG A 43 19.587 2.131 -5.693 1.00 23.33 H new ATOM 0 HD3 ARG A 43 18.508 1.350 -4.554 1.00 23.33 H new ATOM 0 HE ARG A 43 21.060 0.741 -3.604 1.00 71.15 H new ATOM 0 HH11 ARG A 43 19.254 3.671 -4.391 1.00 63.21 H new ATOM 0 HH12 ARG A 43 20.094 4.650 -3.184 1.00 63.21 H new ATOM 0 HH21 ARG A 43 22.132 2.004 -2.056 1.00 51.12 H new ATOM 0 HH22 ARG A 43 21.716 3.711 -1.867 1.00 51.12 H new ATOM 725 N PHE A 44 17.696 -0.837 -9.417 1.00 64.35 N ATOM 726 CA PHE A 44 17.668 -1.561 -10.683 1.00 33.43 C ATOM 727 C PHE A 44 17.808 -0.602 -11.861 1.00 13.32 C ATOM 728 O PHE A 44 18.549 -0.866 -12.806 1.00 61.22 O ATOM 729 CB PHE A 44 16.368 -2.357 -10.811 1.00 32.55 C ATOM 730 CG PHE A 44 16.404 -3.682 -10.103 1.00 14.41 C ATOM 731 CD1 PHE A 44 17.461 -4.556 -10.296 1.00 32.31 C ATOM 732 CD2 PHE A 44 15.382 -4.051 -9.244 1.00 52.01 C ATOM 733 CE1 PHE A 44 17.496 -5.776 -9.646 1.00 74.42 C ATOM 734 CE2 PHE A 44 15.411 -5.270 -8.591 1.00 42.51 C ATOM 735 CZ PHE A 44 16.470 -6.132 -8.792 1.00 63.43 C ATOM 0 H PHE A 44 16.957 -1.099 -8.765 1.00 64.35 H new ATOM 0 HA PHE A 44 18.511 -2.251 -10.697 1.00 33.43 H new ATOM 0 HB2 PHE A 44 15.546 -1.763 -10.411 1.00 32.55 H new ATOM 0 HB3 PHE A 44 16.156 -2.524 -11.867 1.00 32.55 H new ATOM 0 HD1 PHE A 44 18.266 -4.282 -10.961 1.00 32.31 H new ATOM 0 HD2 PHE A 44 14.552 -3.379 -9.082 1.00 52.01 H new ATOM 0 HE1 PHE A 44 18.325 -6.450 -9.806 1.00 74.42 H new ATOM 0 HE2 PHE A 44 14.607 -5.547 -7.925 1.00 42.51 H new ATOM 0 HZ PHE A 44 16.497 -7.084 -8.282 1.00 63.43 H new ATOM 745 N GLY A 45 17.088 0.515 -11.796 1.00 65.31 N ATOM 746 CA GLY A 45 17.145 1.497 -12.863 1.00 12.22 C ATOM 747 C GLY A 45 15.821 2.205 -13.069 1.00 55.14 C ATOM 748 O GLY A 45 15.769 3.273 -13.682 1.00 54.23 O ATOM 0 H GLY A 45 16.467 0.757 -11.024 1.00 65.31 H new ATOM 0 HA2 GLY A 45 17.916 2.233 -12.635 1.00 12.22 H new ATOM 0 HA3 GLY A 45 17.439 1.005 -13.790 1.00 12.22 H new ATOM 752 N LEU A 46 14.748 1.611 -12.560 1.00 54.11 N ATOM 753 CA LEU A 46 13.416 2.191 -12.693 1.00 72.03 C ATOM 754 C LEU A 46 13.211 3.320 -11.688 1.00 41.13 C ATOM 755 O LEU A 46 13.936 3.424 -10.699 1.00 60.24 O ATOM 756 CB LEU A 46 12.347 1.116 -12.493 1.00 71.42 C ATOM 757 CG LEU A 46 11.816 0.453 -13.765 1.00 24.40 C ATOM 758 CD1 LEU A 46 11.341 -0.961 -13.472 1.00 35.43 C ATOM 759 CD2 LEU A 46 10.691 1.281 -14.368 1.00 44.35 C ATOM 0 H LEU A 46 14.774 0.727 -12.051 1.00 54.11 H new ATOM 0 HA LEU A 46 13.325 2.602 -13.698 1.00 72.03 H new ATOM 0 HB2 LEU A 46 12.757 0.340 -11.847 1.00 71.42 H new ATOM 0 HB3 LEU A 46 11.506 1.562 -11.962 1.00 71.42 H new ATOM 0 HG LEU A 46 12.629 0.398 -14.489 1.00 24.40 H new ATOM 0 HD11 LEU A 46 10.967 -1.416 -14.389 1.00 35.43 H new ATOM 0 HD12 LEU A 46 12.172 -1.551 -13.087 1.00 35.43 H new ATOM 0 HD13 LEU A 46 10.543 -0.930 -12.730 1.00 35.43 H new ATOM 0 HD21 LEU A 46 10.325 0.794 -15.272 1.00 44.35 H new ATOM 0 HD22 LEU A 46 9.877 1.368 -13.648 1.00 44.35 H new ATOM 0 HD23 LEU A 46 11.063 2.275 -14.616 1.00 44.35 H new ATOM 771 N ALA A 47 12.217 4.164 -11.947 1.00 62.55 N ATOM 772 CA ALA A 47 11.913 5.282 -11.063 1.00 45.44 C ATOM 773 C ALA A 47 10.627 5.032 -10.284 1.00 2.11 C ATOM 774 O ALA A 47 9.828 4.170 -10.648 1.00 51.32 O ATOM 775 CB ALA A 47 11.806 6.572 -11.863 1.00 0.43 C ATOM 0 H ALA A 47 11.608 4.094 -12.763 1.00 62.55 H new ATOM 0 HA ALA A 47 12.728 5.378 -10.345 1.00 45.44 H new ATOM 0 HB1 ALA A 47 11.579 7.399 -11.191 1.00 0.43 H new ATOM 0 HB2 ALA A 47 12.752 6.765 -12.370 1.00 0.43 H new ATOM 0 HB3 ALA A 47 11.011 6.477 -12.603 1.00 0.43 H new ATOM 781 N GLU A 48 10.435 5.791 -9.209 1.00 25.13 N ATOM 782 CA GLU A 48 9.246 5.650 -8.377 1.00 34.30 C ATOM 783 C GLU A 48 8.036 6.299 -9.043 1.00 3.43 C ATOM 784 O GLU A 48 6.922 6.238 -8.524 1.00 72.24 O ATOM 785 CB GLU A 48 9.481 6.274 -7.001 1.00 64.21 C ATOM 786 CG GLU A 48 9.766 7.766 -7.050 1.00 41.01 C ATOM 787 CD GLU A 48 9.987 8.364 -5.673 1.00 75.43 C ATOM 788 OE1 GLU A 48 9.120 8.168 -4.796 1.00 4.04 O ATOM 789 OE2 GLU A 48 11.026 9.027 -5.475 1.00 72.31 O ATOM 0 H GLU A 48 11.087 6.509 -8.894 1.00 25.13 H new ATOM 0 HA GLU A 48 9.044 4.586 -8.254 1.00 34.30 H new ATOM 0 HB2 GLU A 48 8.604 6.101 -6.378 1.00 64.21 H new ATOM 0 HB3 GLU A 48 10.318 5.768 -6.520 1.00 64.21 H new ATOM 0 HG2 GLU A 48 10.648 7.943 -7.665 1.00 41.01 H new ATOM 0 HG3 GLU A 48 8.933 8.276 -7.534 1.00 41.01 H new ATOM 796 N SER A 49 8.265 6.923 -10.194 1.00 45.32 N ATOM 797 CA SER A 49 7.197 7.589 -10.929 1.00 72.42 C ATOM 798 C SER A 49 6.039 6.630 -11.193 1.00 44.01 C ATOM 799 O SER A 49 4.915 7.054 -11.464 1.00 45.33 O ATOM 800 CB SER A 49 7.727 8.143 -12.253 1.00 33.25 C ATOM 801 OG SER A 49 8.056 7.096 -13.149 1.00 13.15 O ATOM 0 H SER A 49 9.182 6.981 -10.638 1.00 45.32 H new ATOM 0 HA SER A 49 6.831 8.415 -10.319 1.00 72.42 H new ATOM 0 HB2 SER A 49 6.977 8.791 -12.706 1.00 33.25 H new ATOM 0 HB3 SER A 49 8.608 8.757 -12.067 1.00 33.25 H new ATOM 0 HG SER A 49 8.391 7.476 -13.988 1.00 13.15 H new ATOM 807 N LEU A 50 6.324 5.335 -11.113 1.00 12.02 N ATOM 808 CA LEU A 50 5.308 4.313 -11.343 1.00 11.14 C ATOM 809 C LEU A 50 4.765 3.777 -10.022 1.00 44.41 C ATOM 810 O LEU A 50 4.383 2.611 -9.923 1.00 21.14 O ATOM 811 CB LEU A 50 5.889 3.166 -12.172 1.00 31.52 C ATOM 812 CG LEU A 50 6.727 3.572 -13.384 1.00 64.42 C ATOM 813 CD1 LEU A 50 7.550 2.394 -13.882 1.00 63.51 C ATOM 814 CD2 LEU A 50 5.836 4.108 -14.494 1.00 14.43 C ATOM 0 H LEU A 50 7.249 4.968 -10.891 1.00 12.02 H new ATOM 0 HA LEU A 50 4.486 4.771 -11.893 1.00 11.14 H new ATOM 0 HB2 LEU A 50 6.506 2.549 -11.519 1.00 31.52 H new ATOM 0 HB3 LEU A 50 5.066 2.541 -12.518 1.00 31.52 H new ATOM 0 HG LEU A 50 7.410 4.365 -13.079 1.00 64.42 H new ATOM 0 HD11 LEU A 50 8.140 2.702 -14.745 1.00 63.51 H new ATOM 0 HD12 LEU A 50 8.216 2.055 -13.089 1.00 63.51 H new ATOM 0 HD13 LEU A 50 6.884 1.580 -14.169 1.00 63.51 H new ATOM 0 HD21 LEU A 50 6.450 4.392 -15.348 1.00 14.43 H new ATOM 0 HD22 LEU A 50 5.128 3.337 -14.797 1.00 14.43 H new ATOM 0 HD23 LEU A 50 5.291 4.980 -14.134 1.00 14.43 H new ATOM 826 N LEU A 51 4.733 4.636 -9.010 1.00 15.34 N ATOM 827 CA LEU A 51 4.234 4.251 -7.693 1.00 70.05 C ATOM 828 C LEU A 51 3.092 5.162 -7.256 1.00 61.40 C ATOM 829 O LEU A 51 2.167 4.727 -6.571 1.00 31.15 O ATOM 830 CB LEU A 51 5.365 4.300 -6.664 1.00 34.33 C ATOM 831 CG LEU A 51 6.370 3.149 -6.716 1.00 35.34 C ATOM 832 CD1 LEU A 51 7.500 3.383 -5.725 1.00 60.00 C ATOM 833 CD2 LEU A 51 5.678 1.824 -6.435 1.00 24.20 C ATOM 0 H LEU A 51 5.047 5.604 -9.075 1.00 15.34 H new ATOM 0 HA LEU A 51 3.855 3.231 -7.758 1.00 70.05 H new ATOM 0 HB2 LEU A 51 5.908 5.236 -6.795 1.00 34.33 H new ATOM 0 HB3 LEU A 51 4.922 4.325 -5.668 1.00 34.33 H new ATOM 0 HG LEU A 51 6.796 3.108 -7.719 1.00 35.34 H new ATOM 0 HD11 LEU A 51 8.206 2.554 -5.776 1.00 60.00 H new ATOM 0 HD12 LEU A 51 8.013 4.312 -5.971 1.00 60.00 H new ATOM 0 HD13 LEU A 51 7.092 3.451 -4.717 1.00 60.00 H new ATOM 0 HD21 LEU A 51 6.409 1.016 -6.476 1.00 24.20 H new ATOM 0 HD22 LEU A 51 5.225 1.853 -5.444 1.00 24.20 H new ATOM 0 HD23 LEU A 51 4.904 1.652 -7.183 1.00 24.20 H new ATOM 845 N GLU A 52 3.162 6.427 -7.658 1.00 44.01 N ATOM 846 CA GLU A 52 2.133 7.398 -7.308 1.00 74.15 C ATOM 847 C GLU A 52 1.148 7.587 -8.459 1.00 64.03 C ATOM 848 O GLU A 52 0.523 8.640 -8.589 1.00 63.32 O ATOM 849 CB GLU A 52 2.769 8.739 -6.942 1.00 12.24 C ATOM 850 CG GLU A 52 3.563 9.367 -8.075 1.00 11.03 C ATOM 851 CD GLU A 52 3.936 10.811 -7.797 1.00 63.45 C ATOM 852 OE1 GLU A 52 4.846 11.040 -6.975 1.00 3.43 O ATOM 853 OE2 GLU A 52 3.317 11.710 -8.403 1.00 61.41 O ATOM 0 H GLU A 52 3.921 6.803 -8.226 1.00 44.01 H new ATOM 0 HA GLU A 52 1.588 7.015 -6.445 1.00 74.15 H new ATOM 0 HB2 GLU A 52 1.985 9.430 -6.632 1.00 12.24 H new ATOM 0 HB3 GLU A 52 3.426 8.597 -6.084 1.00 12.24 H new ATOM 0 HG2 GLU A 52 4.471 8.787 -8.242 1.00 11.03 H new ATOM 0 HG3 GLU A 52 2.979 9.317 -8.994 1.00 11.03 H new ATOM 860 N SER A 53 1.018 6.560 -9.292 1.00 60.14 N ATOM 861 CA SER A 53 0.114 6.614 -10.436 1.00 51.04 C ATOM 862 C SER A 53 -0.360 5.215 -10.820 1.00 54.31 C ATOM 863 O SER A 53 0.441 4.350 -11.175 1.00 43.23 O ATOM 864 CB SER A 53 0.806 7.275 -11.629 1.00 51.24 C ATOM 865 OG SER A 53 0.432 6.651 -12.846 1.00 52.40 O ATOM 0 H SER A 53 1.526 5.681 -9.197 1.00 60.14 H new ATOM 0 HA SER A 53 -0.755 7.209 -10.154 1.00 51.04 H new ATOM 0 HB2 SER A 53 0.546 8.333 -11.664 1.00 51.24 H new ATOM 0 HB3 SER A 53 1.887 7.217 -11.504 1.00 51.24 H new ATOM 0 HG SER A 53 0.887 7.093 -13.593 1.00 52.40 H new ATOM 871 N LYS A 54 -1.669 5.000 -10.745 1.00 74.21 N ATOM 872 CA LYS A 54 -2.254 3.708 -11.085 1.00 30.01 C ATOM 873 C LYS A 54 -1.812 3.259 -12.474 1.00 4.54 C ATOM 874 O LYS A 54 -1.494 2.089 -12.686 1.00 41.34 O ATOM 875 CB LYS A 54 -3.781 3.784 -11.024 1.00 73.15 C ATOM 876 CG LYS A 54 -4.475 2.669 -11.785 1.00 34.41 C ATOM 877 CD LYS A 54 -5.987 2.766 -11.661 1.00 13.41 C ATOM 878 CE LYS A 54 -6.648 2.946 -13.019 1.00 52.41 C ATOM 879 NZ LYS A 54 -6.354 1.809 -13.934 1.00 63.03 N ATOM 0 H LYS A 54 -2.346 5.705 -10.451 1.00 74.21 H new ATOM 0 HA LYS A 54 -1.904 2.976 -10.357 1.00 30.01 H new ATOM 0 HB2 LYS A 54 -4.097 3.752 -9.981 1.00 73.15 H new ATOM 0 HB3 LYS A 54 -4.105 4.744 -11.426 1.00 73.15 H new ATOM 0 HG2 LYS A 54 -4.192 2.714 -12.837 1.00 34.41 H new ATOM 0 HG3 LYS A 54 -4.139 1.704 -11.405 1.00 34.41 H new ATOM 0 HD2 LYS A 54 -6.372 1.865 -11.184 1.00 13.41 H new ATOM 0 HD3 LYS A 54 -6.247 3.604 -11.015 1.00 13.41 H new ATOM 0 HE2 LYS A 54 -7.726 3.038 -12.889 1.00 52.41 H new ATOM 0 HE3 LYS A 54 -6.301 3.875 -13.471 1.00 52.41 H new ATOM 0 HZ1 LYS A 54 -7.170 1.646 -14.558 1.00 63.03 H new ATOM 0 HZ2 LYS A 54 -5.517 2.034 -14.509 1.00 63.03 H new ATOM 0 HZ3 LYS A 54 -6.169 0.952 -13.375 1.00 63.03 H new ATOM 893 N GLU A 55 -1.791 4.198 -13.415 1.00 44.31 N ATOM 894 CA GLU A 55 -1.385 3.898 -14.784 1.00 34.51 C ATOM 895 C GLU A 55 0.116 3.639 -14.863 1.00 20.40 C ATOM 896 O GLU A 55 0.597 2.991 -15.791 1.00 41.22 O ATOM 897 CB GLU A 55 -1.766 5.050 -15.716 1.00 61.01 C ATOM 898 CG GLU A 55 -2.881 4.704 -16.688 1.00 63.10 C ATOM 899 CD GLU A 55 -2.359 4.235 -18.032 1.00 71.22 C ATOM 900 OE1 GLU A 55 -1.472 3.357 -18.050 1.00 41.22 O ATOM 901 OE2 GLU A 55 -2.837 4.746 -19.066 1.00 53.42 O ATOM 0 H GLU A 55 -2.050 5.172 -13.255 1.00 44.31 H new ATOM 0 HA GLU A 55 -1.908 2.996 -15.101 1.00 34.51 H new ATOM 0 HB2 GLU A 55 -2.072 5.906 -15.115 1.00 61.01 H new ATOM 0 HB3 GLU A 55 -0.885 5.356 -16.281 1.00 61.01 H new ATOM 0 HG2 GLU A 55 -3.507 3.925 -16.254 1.00 63.10 H new ATOM 0 HG3 GLU A 55 -3.515 5.579 -16.834 1.00 63.10 H new ATOM 908 N GLY A 56 0.851 4.150 -13.880 1.00 51.32 N ATOM 909 CA GLY A 56 2.291 3.965 -13.857 1.00 34.34 C ATOM 910 C GLY A 56 2.687 2.560 -13.448 1.00 41.21 C ATOM 911 O GLY A 56 3.521 1.929 -14.099 1.00 5.23 O ATOM 0 H GLY A 56 0.476 4.689 -13.099 1.00 51.32 H new ATOM 0 HA2 GLY A 56 2.698 4.181 -14.845 1.00 34.34 H new ATOM 0 HA3 GLY A 56 2.735 4.681 -13.165 1.00 34.34 H new ATOM 915 N CYS A 57 2.091 2.069 -12.367 1.00 43.40 N ATOM 916 CA CYS A 57 2.390 0.731 -11.871 1.00 34.04 C ATOM 917 C CYS A 57 2.230 -0.307 -12.976 1.00 44.12 C ATOM 918 O CYS A 57 3.023 -1.242 -13.081 1.00 64.02 O ATOM 919 CB CYS A 57 1.475 0.385 -10.695 1.00 3.53 C ATOM 920 SG CYS A 57 2.276 0.503 -9.078 1.00 21.11 S ATOM 0 H CYS A 57 1.398 2.577 -11.818 1.00 43.40 H new ATOM 0 HA CYS A 57 3.426 0.719 -11.533 1.00 34.04 H new ATOM 0 HB2 CYS A 57 0.613 1.051 -10.711 1.00 3.53 H new ATOM 0 HB3 CYS A 57 1.097 -0.629 -10.828 1.00 3.53 H new ATOM 0 HG CYS A 57 3.252 1.360 -9.139 1.00 21.11 H new ATOM 926 N GLN A 58 1.199 -0.136 -13.798 1.00 11.30 N ATOM 927 CA GLN A 58 0.935 -1.060 -14.894 1.00 52.24 C ATOM 928 C GLN A 58 2.128 -1.137 -15.840 1.00 24.53 C ATOM 929 O GLN A 58 2.311 -2.129 -16.546 1.00 44.03 O ATOM 930 CB GLN A 58 -0.315 -0.627 -15.664 1.00 44.25 C ATOM 931 CG GLN A 58 -1.374 -1.712 -15.764 1.00 62.03 C ATOM 932 CD GLN A 58 -2.669 -1.209 -16.372 1.00 41.34 C ATOM 933 OE1 GLN A 58 -3.754 -1.463 -15.849 1.00 25.30 O ATOM 934 NE2 GLN A 58 -2.560 -0.489 -17.483 1.00 75.33 N ATOM 0 H GLN A 58 0.534 0.634 -13.725 1.00 11.30 H new ATOM 0 HA GLN A 58 0.767 -2.050 -14.469 1.00 52.24 H new ATOM 0 HB2 GLN A 58 -0.747 0.247 -15.177 1.00 44.25 H new ATOM 0 HB3 GLN A 58 -0.025 -0.321 -16.669 1.00 44.25 H new ATOM 0 HG2 GLN A 58 -0.990 -2.535 -16.366 1.00 62.03 H new ATOM 0 HG3 GLN A 58 -1.575 -2.111 -14.770 1.00 62.03 H new ATOM 0 HE21 GLN A 58 -1.640 -0.303 -17.882 1.00 75.33 H new ATOM 0 HE22 GLN A 58 -3.396 -0.122 -17.937 1.00 75.33 H new ATOM 943 N LYS A 59 2.939 -0.085 -15.850 1.00 1.20 N ATOM 944 CA LYS A 59 4.116 -0.033 -16.708 1.00 10.13 C ATOM 945 C LYS A 59 5.271 -0.818 -16.095 1.00 53.44 C ATOM 946 O LYS A 59 6.306 -1.018 -16.733 1.00 12.03 O ATOM 947 CB LYS A 59 4.540 1.420 -16.941 1.00 35.43 C ATOM 948 CG LYS A 59 3.448 2.279 -17.556 1.00 4.42 C ATOM 949 CD LYS A 59 3.610 2.392 -19.063 1.00 31.54 C ATOM 950 CE LYS A 59 4.246 3.714 -19.459 1.00 14.52 C ATOM 951 NZ LYS A 59 4.137 3.967 -20.922 1.00 71.33 N ATOM 0 H LYS A 59 2.802 0.744 -15.272 1.00 1.20 H new ATOM 0 HA LYS A 59 3.858 -0.487 -17.664 1.00 10.13 H new ATOM 0 HB2 LYS A 59 4.844 1.858 -15.990 1.00 35.43 H new ATOM 0 HB3 LYS A 59 5.414 1.435 -17.593 1.00 35.43 H new ATOM 0 HG2 LYS A 59 2.473 1.850 -17.325 1.00 4.42 H new ATOM 0 HG3 LYS A 59 3.472 3.274 -17.111 1.00 4.42 H new ATOM 0 HD2 LYS A 59 4.225 1.568 -19.426 1.00 31.54 H new ATOM 0 HD3 LYS A 59 2.636 2.298 -19.542 1.00 31.54 H new ATOM 0 HE2 LYS A 59 3.765 4.526 -18.913 1.00 14.52 H new ATOM 0 HE3 LYS A 59 5.296 3.713 -19.168 1.00 14.52 H new ATOM 0 HZ1 LYS A 59 4.583 4.878 -21.151 1.00 71.33 H new ATOM 0 HZ2 LYS A 59 4.618 3.206 -21.443 1.00 71.33 H new ATOM 0 HZ3 LYS A 59 3.134 3.994 -21.196 1.00 71.33 H new ATOM 965 N ILE A 60 5.088 -1.261 -14.856 1.00 72.34 N ATOM 966 CA ILE A 60 6.114 -2.027 -14.159 1.00 72.12 C ATOM 967 C ILE A 60 5.925 -3.525 -14.377 1.00 42.54 C ATOM 968 O ILE A 60 6.842 -4.218 -14.820 1.00 54.14 O ATOM 969 CB ILE A 60 6.105 -1.734 -12.647 1.00 64.33 C ATOM 970 CG1 ILE A 60 6.372 -0.250 -12.392 1.00 13.44 C ATOM 971 CG2 ILE A 60 7.138 -2.594 -11.935 1.00 5.30 C ATOM 972 CD1 ILE A 60 6.399 0.115 -10.924 1.00 3.22 C ATOM 0 H ILE A 60 4.239 -1.103 -14.314 1.00 72.34 H new ATOM 0 HA ILE A 60 7.074 -1.720 -14.574 1.00 72.12 H new ATOM 0 HB ILE A 60 5.120 -1.980 -12.250 1.00 64.33 H new ATOM 0 HG12 ILE A 60 7.326 0.022 -12.843 1.00 13.44 H new ATOM 0 HG13 ILE A 60 5.603 0.340 -12.891 1.00 13.44 H new ATOM 0 HG21 ILE A 60 7.120 -2.376 -10.867 1.00 5.30 H new ATOM 0 HG22 ILE A 60 6.906 -3.647 -12.094 1.00 5.30 H new ATOM 0 HG23 ILE A 60 8.129 -2.376 -12.333 1.00 5.30 H new ATOM 0 HD11 ILE A 60 6.593 1.182 -10.818 1.00 3.22 H new ATOM 0 HD12 ILE A 60 5.437 -0.126 -10.472 1.00 3.22 H new ATOM 0 HD13 ILE A 60 7.186 -0.448 -10.423 1.00 3.22 H new ATOM 984 N LEU A 61 4.732 -4.016 -14.064 1.00 64.22 N ATOM 985 CA LEU A 61 4.422 -5.432 -14.227 1.00 72.12 C ATOM 986 C LEU A 61 4.701 -5.890 -15.655 1.00 53.24 C ATOM 987 O LEU A 61 4.906 -7.078 -15.910 1.00 52.41 O ATOM 988 CB LEU A 61 2.958 -5.698 -13.872 1.00 22.51 C ATOM 989 CG LEU A 61 2.615 -5.676 -12.382 1.00 40.51 C ATOM 990 CD1 LEU A 61 1.108 -5.693 -12.181 1.00 53.01 C ATOM 991 CD2 LEU A 61 3.264 -6.851 -11.667 1.00 40.00 C ATOM 0 H LEU A 61 3.963 -3.455 -13.696 1.00 64.22 H new ATOM 0 HA LEU A 61 5.063 -5.999 -13.551 1.00 72.12 H new ATOM 0 HB2 LEU A 61 2.341 -4.955 -14.378 1.00 22.51 H new ATOM 0 HB3 LEU A 61 2.678 -6.671 -14.275 1.00 22.51 H new ATOM 0 HG LEU A 61 3.008 -4.754 -11.952 1.00 40.51 H new ATOM 0 HD11 LEU A 61 0.883 -5.677 -11.115 1.00 53.01 H new ATOM 0 HD12 LEU A 61 0.667 -4.818 -12.658 1.00 53.01 H new ATOM 0 HD13 LEU A 61 0.692 -6.597 -12.626 1.00 53.01 H new ATOM 0 HD21 LEU A 61 3.009 -6.818 -10.608 1.00 40.00 H new ATOM 0 HD22 LEU A 61 2.903 -7.784 -12.099 1.00 40.00 H new ATOM 0 HD23 LEU A 61 4.346 -6.793 -11.781 1.00 40.00 H new ATOM 1003 N THR A 62 4.710 -4.940 -16.585 1.00 15.31 N ATOM 1004 CA THR A 62 4.965 -5.244 -17.988 1.00 31.02 C ATOM 1005 C THR A 62 6.446 -5.509 -18.231 1.00 64.13 C ATOM 1006 O THR A 62 6.811 -6.286 -19.114 1.00 74.44 O ATOM 1007 CB THR A 62 4.502 -4.097 -18.905 1.00 4.42 C ATOM 1008 OG1 THR A 62 4.312 -4.582 -20.238 1.00 55.21 O ATOM 1009 CG2 THR A 62 5.520 -2.966 -18.912 1.00 43.54 C ATOM 0 H THR A 62 4.543 -3.952 -16.392 1.00 15.31 H new ATOM 0 HA THR A 62 4.394 -6.141 -18.227 1.00 31.02 H new ATOM 0 HB THR A 62 3.557 -3.713 -18.521 1.00 4.42 H new ATOM 0 HG1 THR A 62 4.016 -3.847 -20.815 1.00 55.21 H new ATOM 0 HG21 THR A 62 5.172 -2.167 -19.567 1.00 43.54 H new ATOM 0 HG22 THR A 62 5.641 -2.579 -17.900 1.00 43.54 H new ATOM 0 HG23 THR A 62 6.477 -3.340 -19.274 1.00 43.54 H new ATOM 1017 N VAL A 63 7.297 -4.860 -17.444 1.00 53.55 N ATOM 1018 CA VAL A 63 8.740 -5.026 -17.574 1.00 33.34 C ATOM 1019 C VAL A 63 9.202 -6.330 -16.933 1.00 31.23 C ATOM 1020 O VAL A 63 10.203 -6.917 -17.345 1.00 10.13 O ATOM 1021 CB VAL A 63 9.501 -3.853 -16.930 1.00 52.30 C ATOM 1022 CG1 VAL A 63 11.003 -4.074 -17.023 1.00 53.12 C ATOM 1023 CG2 VAL A 63 9.106 -2.538 -17.587 1.00 13.12 C ATOM 0 H VAL A 63 7.012 -4.213 -16.708 1.00 53.55 H new ATOM 0 HA VAL A 63 8.961 -5.050 -18.641 1.00 33.34 H new ATOM 0 HB VAL A 63 9.231 -3.803 -15.875 1.00 52.30 H new ATOM 0 HG11 VAL A 63 11.524 -3.234 -16.562 1.00 53.12 H new ATOM 0 HG12 VAL A 63 11.268 -4.995 -16.503 1.00 53.12 H new ATOM 0 HG13 VAL A 63 11.295 -4.152 -18.070 1.00 53.12 H new ATOM 0 HG21 VAL A 63 9.653 -1.719 -17.120 1.00 13.12 H new ATOM 0 HG22 VAL A 63 9.346 -2.575 -18.650 1.00 13.12 H new ATOM 0 HG23 VAL A 63 8.035 -2.376 -17.463 1.00 13.12 H new ATOM 1033 N LEU A 64 8.466 -6.779 -15.922 1.00 11.12 N ATOM 1034 CA LEU A 64 8.799 -8.015 -15.221 1.00 73.14 C ATOM 1035 C LEU A 64 7.866 -9.146 -15.642 1.00 24.01 C ATOM 1036 O LEU A 64 8.037 -10.292 -15.223 1.00 15.22 O ATOM 1037 CB LEU A 64 8.717 -7.805 -13.709 1.00 34.42 C ATOM 1038 CG LEU A 64 8.149 -6.463 -13.247 1.00 51.01 C ATOM 1039 CD1 LEU A 64 7.678 -6.551 -11.803 1.00 52.40 C ATOM 1040 CD2 LEU A 64 9.188 -5.362 -13.404 1.00 72.44 C ATOM 0 H LEU A 64 7.634 -6.306 -15.569 1.00 11.12 H new ATOM 0 HA LEU A 64 9.819 -8.292 -15.487 1.00 73.14 H new ATOM 0 HB2 LEU A 64 8.105 -8.601 -13.285 1.00 34.42 H new ATOM 0 HB3 LEU A 64 9.718 -7.916 -13.292 1.00 34.42 H new ATOM 0 HG LEU A 64 7.291 -6.218 -13.873 1.00 51.01 H new ATOM 0 HD11 LEU A 64 7.277 -5.586 -11.492 1.00 52.40 H new ATOM 0 HD12 LEU A 64 6.901 -7.311 -11.719 1.00 52.40 H new ATOM 0 HD13 LEU A 64 8.518 -6.819 -11.162 1.00 52.40 H new ATOM 0 HD21 LEU A 64 8.767 -4.414 -13.070 1.00 72.44 H new ATOM 0 HD22 LEU A 64 10.065 -5.601 -12.802 1.00 72.44 H new ATOM 0 HD23 LEU A 64 9.478 -5.282 -14.452 1.00 72.44 H new ATOM 1052 N ASP A 65 6.884 -8.818 -16.473 1.00 63.33 N ATOM 1053 CA ASP A 65 5.927 -9.808 -16.953 1.00 33.22 C ATOM 1054 C ASP A 65 6.644 -10.994 -17.591 1.00 74.02 C ATOM 1055 O ASP A 65 6.536 -12.133 -17.137 1.00 63.42 O ATOM 1056 CB ASP A 65 4.967 -9.174 -17.962 1.00 32.11 C ATOM 1057 CG ASP A 65 3.531 -9.179 -17.476 1.00 70.10 C ATOM 1058 OD1 ASP A 65 3.318 -9.107 -16.247 1.00 65.45 O ATOM 1059 OD2 ASP A 65 2.618 -9.254 -18.326 1.00 2.23 O ATOM 0 H ASP A 65 6.729 -7.875 -16.829 1.00 63.33 H new ATOM 0 HA ASP A 65 5.357 -10.169 -16.097 1.00 33.22 H new ATOM 0 HB2 ASP A 65 5.277 -8.148 -18.159 1.00 32.11 H new ATOM 0 HB3 ASP A 65 5.030 -9.713 -18.907 1.00 32.11 H new ATOM 1064 N PRO A 66 7.393 -10.722 -18.670 1.00 52.14 N ATOM 1065 CA PRO A 66 8.141 -11.753 -19.394 1.00 43.13 C ATOM 1066 C PRO A 66 9.322 -12.286 -18.588 1.00 53.02 C ATOM 1067 O PRO A 66 9.975 -13.249 -18.988 1.00 60.22 O ATOM 1068 CB PRO A 66 8.635 -11.021 -20.645 1.00 23.55 C ATOM 1069 CG PRO A 66 8.687 -9.586 -20.247 1.00 65.21 C ATOM 1070 CD PRO A 66 7.566 -9.387 -19.266 1.00 15.32 C ATOM 0 HA PRO A 66 7.526 -12.627 -19.610 1.00 43.13 H new ATOM 0 HB2 PRO A 66 9.616 -11.382 -20.954 1.00 23.55 H new ATOM 0 HB3 PRO A 66 7.959 -11.174 -21.486 1.00 23.55 H new ATOM 0 HG2 PRO A 66 9.648 -9.341 -19.796 1.00 65.21 H new ATOM 0 HG3 PRO A 66 8.567 -8.936 -21.114 1.00 65.21 H new ATOM 0 HD2 PRO A 66 7.819 -8.641 -18.513 1.00 15.32 H new ATOM 0 HD3 PRO A 66 6.656 -9.046 -19.760 1.00 15.32 H new ATOM 1078 N MET A 67 9.589 -11.653 -17.450 1.00 74.04 N ATOM 1079 CA MET A 67 10.690 -12.065 -16.587 1.00 32.21 C ATOM 1080 C MET A 67 10.233 -13.129 -15.594 1.00 30.40 C ATOM 1081 O MET A 67 11.052 -13.837 -15.007 1.00 51.12 O ATOM 1082 CB MET A 67 11.257 -10.859 -15.836 1.00 31.34 C ATOM 1083 CG MET A 67 11.826 -9.786 -16.750 1.00 62.30 C ATOM 1084 SD MET A 67 13.277 -10.349 -17.662 1.00 70.31 S ATOM 1085 CE MET A 67 14.417 -9.005 -17.346 1.00 64.43 C ATOM 0 H MET A 67 9.058 -10.853 -17.104 1.00 74.04 H new ATOM 0 HA MET A 67 11.472 -12.492 -17.216 1.00 32.21 H new ATOM 0 HB2 MET A 67 10.470 -10.421 -15.222 1.00 31.34 H new ATOM 0 HB3 MET A 67 12.039 -11.199 -15.157 1.00 31.34 H new ATOM 0 HG2 MET A 67 11.058 -9.471 -17.456 1.00 62.30 H new ATOM 0 HG3 MET A 67 12.092 -8.911 -16.156 1.00 62.30 H new ATOM 0 HE1 MET A 67 15.365 -9.207 -17.846 1.00 64.43 H new ATOM 0 HE2 MET A 67 13.997 -8.074 -17.727 1.00 64.43 H new ATOM 0 HE3 MET A 67 14.585 -8.915 -16.273 1.00 64.43 H new ATOM 1095 N VAL A 68 8.921 -13.236 -15.409 1.00 50.24 N ATOM 1096 CA VAL A 68 8.356 -14.214 -14.488 1.00 12.01 C ATOM 1097 C VAL A 68 8.633 -15.637 -14.958 1.00 73.04 C ATOM 1098 O VAL A 68 9.239 -16.444 -14.252 1.00 54.32 O ATOM 1099 CB VAL A 68 6.835 -14.024 -14.331 1.00 11.14 C ATOM 1100 CG1 VAL A 68 6.164 -15.345 -13.990 1.00 70.23 C ATOM 1101 CG2 VAL A 68 6.537 -12.976 -13.270 1.00 55.32 C ATOM 0 H VAL A 68 8.229 -12.657 -15.885 1.00 50.24 H new ATOM 0 HA VAL A 68 8.837 -14.054 -13.523 1.00 12.01 H new ATOM 0 HB VAL A 68 6.430 -13.673 -15.280 1.00 11.14 H new ATOM 0 HG11 VAL A 68 5.090 -15.191 -13.883 1.00 70.23 H new ATOM 0 HG12 VAL A 68 6.350 -16.064 -14.788 1.00 70.23 H new ATOM 0 HG13 VAL A 68 6.570 -15.729 -13.054 1.00 70.23 H new ATOM 0 HG21 VAL A 68 5.458 -12.854 -13.172 1.00 55.32 H new ATOM 0 HG22 VAL A 68 6.954 -13.296 -12.315 1.00 55.32 H new ATOM 0 HG23 VAL A 68 6.984 -12.026 -13.561 1.00 55.32 H new ATOM 1111 N PRO A 69 8.180 -15.955 -16.181 1.00 3.22 N ATOM 1112 CA PRO A 69 8.369 -17.282 -16.774 1.00 52.12 C ATOM 1113 C PRO A 69 9.826 -17.554 -17.135 1.00 71.23 C ATOM 1114 O PRO A 69 10.154 -18.606 -17.685 1.00 4.41 O ATOM 1115 CB PRO A 69 7.506 -17.231 -18.037 1.00 61.50 C ATOM 1116 CG PRO A 69 7.427 -15.785 -18.385 1.00 44.31 C ATOM 1117 CD PRO A 69 7.451 -15.042 -17.078 1.00 24.43 C ATOM 0 HA PRO A 69 8.094 -18.080 -16.084 1.00 52.12 H new ATOM 0 HB2 PRO A 69 7.954 -17.809 -18.846 1.00 61.50 H new ATOM 0 HB3 PRO A 69 6.516 -17.649 -17.857 1.00 61.50 H new ATOM 0 HG2 PRO A 69 8.264 -15.490 -19.017 1.00 44.31 H new ATOM 0 HG3 PRO A 69 6.515 -15.567 -18.941 1.00 44.31 H new ATOM 0 HD2 PRO A 69 7.957 -14.081 -17.171 1.00 24.43 H new ATOM 0 HD3 PRO A 69 6.444 -14.838 -16.713 1.00 24.43 H new ATOM 1125 N THR A 70 10.696 -16.599 -16.822 1.00 63.34 N ATOM 1126 CA THR A 70 12.118 -16.736 -17.115 1.00 54.42 C ATOM 1127 C THR A 70 12.956 -15.866 -16.184 1.00 42.23 C ATOM 1128 O THR A 70 13.813 -15.106 -16.634 1.00 21.23 O ATOM 1129 CB THR A 70 12.430 -16.355 -18.575 1.00 54.10 C ATOM 1130 OG1 THR A 70 11.680 -15.194 -18.949 1.00 4.21 O ATOM 1131 CG2 THR A 70 12.100 -17.503 -19.516 1.00 30.44 C ATOM 0 H THR A 70 10.441 -15.723 -16.366 1.00 63.34 H new ATOM 0 HA THR A 70 12.374 -17.784 -16.958 1.00 54.42 H new ATOM 0 HB THR A 70 13.496 -16.139 -18.651 1.00 54.10 H new ATOM 0 HG1 THR A 70 11.837 -14.479 -18.297 1.00 4.21 H new ATOM 0 HG21 THR A 70 12.329 -17.211 -20.541 1.00 30.44 H new ATOM 0 HG22 THR A 70 12.694 -18.376 -19.247 1.00 30.44 H new ATOM 0 HG23 THR A 70 11.040 -17.746 -19.436 1.00 30.44 H new ATOM 1139 N GLY A 71 12.703 -15.983 -14.884 1.00 43.13 N ATOM 1140 CA GLY A 71 13.444 -15.202 -13.912 1.00 13.43 C ATOM 1141 C GLY A 71 13.569 -15.908 -12.576 1.00 3.14 C ATOM 1142 O GLY A 71 13.158 -17.059 -12.434 1.00 64.34 O ATOM 0 H GLY A 71 11.998 -16.605 -14.487 1.00 43.13 H new ATOM 0 HA2 GLY A 71 14.439 -14.991 -14.303 1.00 13.43 H new ATOM 0 HA3 GLY A 71 12.948 -14.242 -13.767 1.00 13.43 H new ATOM 1146 N SER A 72 14.141 -15.218 -11.594 1.00 55.43 N ATOM 1147 CA SER A 72 14.326 -15.788 -10.265 1.00 55.32 C ATOM 1148 C SER A 72 13.266 -15.265 -9.298 1.00 62.43 C ATOM 1149 O SER A 72 12.305 -14.615 -9.707 1.00 53.00 O ATOM 1150 CB SER A 72 15.723 -15.459 -9.736 1.00 35.35 C ATOM 1151 OG SER A 72 15.704 -14.284 -8.943 1.00 15.13 O ATOM 0 H SER A 72 14.484 -14.263 -11.694 1.00 55.43 H new ATOM 0 HA SER A 72 14.221 -16.870 -10.342 1.00 55.32 H new ATOM 0 HB2 SER A 72 16.098 -16.295 -9.145 1.00 35.35 H new ATOM 0 HB3 SER A 72 16.410 -15.327 -10.572 1.00 35.35 H new ATOM 0 HG SER A 72 16.608 -14.096 -8.615 1.00 15.13 H new ATOM 1157 N GLU A 73 13.451 -15.556 -8.014 1.00 43.45 N ATOM 1158 CA GLU A 73 12.513 -15.116 -6.990 1.00 13.14 C ATOM 1159 C GLU A 73 12.661 -13.622 -6.720 1.00 2.13 C ATOM 1160 O GLU A 73 11.691 -12.939 -6.396 1.00 74.24 O ATOM 1161 CB GLU A 73 12.730 -15.904 -5.696 1.00 13.05 C ATOM 1162 CG GLU A 73 14.143 -15.797 -5.148 1.00 44.01 C ATOM 1163 CD GLU A 73 14.612 -17.079 -4.490 1.00 21.51 C ATOM 1164 OE1 GLU A 73 14.737 -18.100 -5.198 1.00 63.01 O ATOM 1165 OE2 GLU A 73 14.854 -17.062 -3.265 1.00 22.00 O ATOM 0 H GLU A 73 14.242 -16.094 -7.659 1.00 43.45 H new ATOM 0 HA GLU A 73 11.503 -15.302 -7.356 1.00 13.14 H new ATOM 0 HB2 GLU A 73 12.029 -15.547 -4.942 1.00 13.05 H new ATOM 0 HB3 GLU A 73 12.498 -16.954 -5.876 1.00 13.05 H new ATOM 0 HG2 GLU A 73 14.824 -15.539 -5.959 1.00 44.01 H new ATOM 0 HG3 GLU A 73 14.187 -14.984 -4.423 1.00 44.01 H new ATOM 1172 N ASN A 74 13.885 -13.121 -6.854 1.00 44.23 N ATOM 1173 CA ASN A 74 14.163 -11.708 -6.624 1.00 25.32 C ATOM 1174 C ASN A 74 13.205 -10.828 -7.422 1.00 25.44 C ATOM 1175 O ASN A 74 12.894 -9.707 -7.019 1.00 15.32 O ATOM 1176 CB ASN A 74 15.609 -11.383 -7.003 1.00 42.24 C ATOM 1177 CG ASN A 74 16.519 -11.297 -5.793 1.00 2.31 C ATOM 1178 OD1 ASN A 74 16.178 -10.670 -4.789 1.00 44.32 O ATOM 1179 ND2 ASN A 74 17.685 -11.926 -5.884 1.00 20.32 N ATOM 0 H ASN A 74 14.700 -13.673 -7.121 1.00 44.23 H new ATOM 0 HA ASN A 74 14.018 -11.503 -5.563 1.00 25.32 H new ATOM 0 HB2 ASN A 74 15.984 -12.148 -7.683 1.00 42.24 H new ATOM 0 HB3 ASN A 74 15.636 -10.436 -7.543 1.00 42.24 H new ATOM 0 HD21 ASN A 74 18.340 -11.902 -5.102 1.00 20.32 H new ATOM 0 HD22 ASN A 74 17.926 -12.433 -6.736 1.00 20.32 H new ATOM 1186 N LEU A 75 12.741 -11.345 -8.554 1.00 43.13 N ATOM 1187 CA LEU A 75 11.819 -10.607 -9.410 1.00 0.05 C ATOM 1188 C LEU A 75 10.370 -10.913 -9.040 1.00 25.44 C ATOM 1189 O LEU A 75 9.556 -10.006 -8.871 1.00 55.24 O ATOM 1190 CB LEU A 75 12.066 -10.954 -10.879 1.00 11.33 C ATOM 1191 CG LEU A 75 11.289 -10.126 -11.904 1.00 14.33 C ATOM 1192 CD1 LEU A 75 12.242 -9.462 -12.886 1.00 15.32 C ATOM 1193 CD2 LEU A 75 10.282 -10.997 -12.640 1.00 24.52 C ATOM 0 H LEU A 75 12.988 -12.272 -8.900 1.00 43.13 H new ATOM 0 HA LEU A 75 11.997 -9.542 -9.260 1.00 0.05 H new ATOM 0 HB2 LEU A 75 13.131 -10.843 -11.084 1.00 11.33 H new ATOM 0 HB3 LEU A 75 11.821 -12.005 -11.030 1.00 11.33 H new ATOM 0 HG LEU A 75 10.744 -9.345 -11.374 1.00 14.33 H new ATOM 0 HD11 LEU A 75 11.672 -8.877 -13.608 1.00 15.32 H new ATOM 0 HD12 LEU A 75 12.923 -8.806 -12.345 1.00 15.32 H new ATOM 0 HD13 LEU A 75 12.815 -10.227 -13.410 1.00 15.32 H new ATOM 0 HD21 LEU A 75 9.738 -10.391 -13.365 1.00 24.52 H new ATOM 0 HD22 LEU A 75 10.806 -11.800 -13.158 1.00 24.52 H new ATOM 0 HD23 LEU A 75 9.579 -11.424 -11.925 1.00 24.52 H new ATOM 1205 N LYS A 76 10.058 -12.198 -8.913 1.00 73.25 N ATOM 1206 CA LYS A 76 8.709 -12.626 -8.559 1.00 52.01 C ATOM 1207 C LYS A 76 8.218 -11.902 -7.310 1.00 4.52 C ATOM 1208 O LYS A 76 7.032 -11.600 -7.181 1.00 22.23 O ATOM 1209 CB LYS A 76 8.675 -14.139 -8.331 1.00 54.22 C ATOM 1210 CG LYS A 76 9.109 -14.946 -9.543 1.00 74.30 C ATOM 1211 CD LYS A 76 9.746 -16.264 -9.135 1.00 32.03 C ATOM 1212 CE LYS A 76 8.887 -17.450 -9.547 1.00 62.05 C ATOM 1213 NZ LYS A 76 8.029 -17.929 -8.429 1.00 41.34 N ATOM 0 H LYS A 76 10.720 -12.961 -9.050 1.00 73.25 H new ATOM 0 HA LYS A 76 8.046 -12.374 -9.387 1.00 52.01 H new ATOM 0 HB2 LYS A 76 9.322 -14.386 -7.490 1.00 54.22 H new ATOM 0 HB3 LYS A 76 7.663 -14.433 -8.052 1.00 54.22 H new ATOM 0 HG2 LYS A 76 8.246 -15.140 -10.181 1.00 74.30 H new ATOM 0 HG3 LYS A 76 9.818 -14.365 -10.133 1.00 74.30 H new ATOM 0 HD2 LYS A 76 10.731 -16.350 -9.593 1.00 32.03 H new ATOM 0 HD3 LYS A 76 9.894 -16.279 -8.055 1.00 32.03 H new ATOM 0 HE2 LYS A 76 8.258 -17.167 -10.391 1.00 62.05 H new ATOM 0 HE3 LYS A 76 9.529 -18.263 -9.886 1.00 62.05 H new ATOM 0 HZ1 LYS A 76 7.459 -18.738 -8.750 1.00 41.34 H new ATOM 0 HZ2 LYS A 76 8.629 -18.223 -7.632 1.00 41.34 H new ATOM 0 HZ3 LYS A 76 7.398 -17.161 -8.122 1.00 41.34 H new ATOM 1227 N SER A 77 9.139 -11.624 -6.393 1.00 10.21 N ATOM 1228 CA SER A 77 8.799 -10.937 -5.152 1.00 4.21 C ATOM 1229 C SER A 77 8.203 -9.562 -5.439 1.00 31.14 C ATOM 1230 O SER A 77 7.123 -9.226 -4.949 1.00 63.14 O ATOM 1231 CB SER A 77 10.040 -10.793 -4.268 1.00 22.21 C ATOM 1232 OG SER A 77 10.294 -11.986 -3.547 1.00 61.52 O ATOM 0 H SER A 77 10.126 -11.864 -6.486 1.00 10.21 H new ATOM 0 HA SER A 77 8.054 -11.535 -4.626 1.00 4.21 H new ATOM 0 HB2 SER A 77 10.904 -10.547 -4.886 1.00 22.21 H new ATOM 0 HB3 SER A 77 9.900 -9.966 -3.572 1.00 22.21 H new ATOM 0 HG SER A 77 9.990 -12.756 -4.071 1.00 61.52 H new ATOM 1238 N LEU A 78 8.913 -8.770 -6.233 1.00 45.54 N ATOM 1239 CA LEU A 78 8.456 -7.430 -6.586 1.00 70.35 C ATOM 1240 C LEU A 78 7.270 -7.495 -7.542 1.00 40.31 C ATOM 1241 O LEU A 78 6.384 -6.640 -7.507 1.00 74.12 O ATOM 1242 CB LEU A 78 9.595 -6.632 -7.222 1.00 42.52 C ATOM 1243 CG LEU A 78 9.229 -5.245 -7.752 1.00 13.43 C ATOM 1244 CD1 LEU A 78 8.954 -4.290 -6.600 1.00 54.41 C ATOM 1245 CD2 LEU A 78 10.338 -4.704 -8.641 1.00 42.42 C ATOM 0 H LEU A 78 9.808 -9.032 -6.645 1.00 45.54 H new ATOM 0 HA LEU A 78 8.136 -6.929 -5.672 1.00 70.35 H new ATOM 0 HB2 LEU A 78 10.389 -6.519 -6.484 1.00 42.52 H new ATOM 0 HB3 LEU A 78 10.006 -7.217 -8.045 1.00 42.52 H new ATOM 0 HG LEU A 78 8.322 -5.333 -8.350 1.00 13.43 H new ATOM 0 HD11 LEU A 78 8.695 -3.308 -6.995 1.00 54.41 H new ATOM 0 HD12 LEU A 78 8.126 -4.670 -6.002 1.00 54.41 H new ATOM 0 HD13 LEU A 78 9.844 -4.207 -5.976 1.00 54.41 H new ATOM 0 HD21 LEU A 78 10.060 -3.716 -9.009 1.00 42.42 H new ATOM 0 HD22 LEU A 78 11.262 -4.631 -8.067 1.00 42.42 H new ATOM 0 HD23 LEU A 78 10.488 -5.377 -9.485 1.00 42.42 H new ATOM 1257 N PHE A 79 7.259 -8.514 -8.395 1.00 55.30 N ATOM 1258 CA PHE A 79 6.179 -8.690 -9.361 1.00 3.02 C ATOM 1259 C PHE A 79 4.838 -8.858 -8.653 1.00 53.22 C ATOM 1260 O PHE A 79 3.799 -8.443 -9.164 1.00 51.30 O ATOM 1261 CB PHE A 79 6.456 -9.906 -10.248 1.00 73.13 C ATOM 1262 CG PHE A 79 5.418 -10.117 -11.315 1.00 42.00 C ATOM 1263 CD1 PHE A 79 5.333 -9.255 -12.397 1.00 10.12 C ATOM 1264 CD2 PHE A 79 4.530 -11.177 -11.235 1.00 11.35 C ATOM 1265 CE1 PHE A 79 4.381 -9.447 -13.379 1.00 54.24 C ATOM 1266 CE2 PHE A 79 3.575 -11.373 -12.215 1.00 30.10 C ATOM 1267 CZ PHE A 79 3.500 -10.507 -13.288 1.00 0.34 C ATOM 0 H PHE A 79 7.984 -9.230 -8.438 1.00 55.30 H new ATOM 0 HA PHE A 79 6.131 -7.797 -9.983 1.00 3.02 H new ATOM 0 HB2 PHE A 79 7.432 -9.788 -10.719 1.00 73.13 H new ATOM 0 HB3 PHE A 79 6.510 -10.797 -9.623 1.00 73.13 H new ATOM 0 HD1 PHE A 79 6.019 -8.424 -12.473 1.00 10.12 H new ATOM 0 HD2 PHE A 79 4.584 -11.858 -10.398 1.00 11.35 H new ATOM 0 HE1 PHE A 79 4.325 -8.769 -14.218 1.00 54.24 H new ATOM 0 HE2 PHE A 79 2.888 -12.203 -12.142 1.00 30.10 H new ATOM 0 HZ PHE A 79 2.754 -10.658 -14.054 1.00 0.34 H new ATOM 1277 N ASN A 80 4.870 -9.469 -7.473 1.00 44.42 N ATOM 1278 CA ASN A 80 3.658 -9.692 -6.695 1.00 11.12 C ATOM 1279 C ASN A 80 3.264 -8.433 -5.927 1.00 21.32 C ATOM 1280 O ASN A 80 2.080 -8.136 -5.763 1.00 64.52 O ATOM 1281 CB ASN A 80 3.859 -10.854 -5.720 1.00 72.42 C ATOM 1282 CG ASN A 80 3.216 -12.137 -6.212 1.00 21.23 C ATOM 1283 OD1 ASN A 80 2.958 -12.299 -7.405 1.00 4.33 O ATOM 1284 ND2 ASN A 80 2.955 -13.058 -5.291 1.00 34.24 N ATOM 0 H ASN A 80 5.722 -9.818 -7.035 1.00 44.42 H new ATOM 0 HA ASN A 80 2.854 -9.941 -7.387 1.00 11.12 H new ATOM 0 HB2 ASN A 80 4.926 -11.019 -5.570 1.00 72.42 H new ATOM 0 HB3 ASN A 80 3.439 -10.588 -4.750 1.00 72.42 H new ATOM 0 HD21 ASN A 80 2.524 -13.942 -5.562 1.00 34.24 H new ATOM 0 HD22 ASN A 80 3.186 -12.881 -4.313 1.00 34.24 H new ATOM 1291 N THR A 81 4.265 -7.694 -5.459 1.00 24.42 N ATOM 1292 CA THR A 81 4.025 -6.469 -4.708 1.00 54.44 C ATOM 1293 C THR A 81 3.464 -5.374 -5.609 1.00 1.22 C ATOM 1294 O THR A 81 2.518 -4.677 -5.241 1.00 11.44 O ATOM 1295 CB THR A 81 5.315 -5.957 -4.040 1.00 40.54 C ATOM 1296 OG1 THR A 81 5.935 -7.013 -3.299 1.00 62.45 O ATOM 1297 CG2 THR A 81 5.017 -4.787 -3.115 1.00 44.11 C ATOM 0 H THR A 81 5.251 -7.923 -5.587 1.00 24.42 H new ATOM 0 HA THR A 81 3.296 -6.710 -3.935 1.00 54.44 H new ATOM 0 HB THR A 81 5.993 -5.617 -4.822 1.00 40.54 H new ATOM 0 HG1 THR A 81 6.303 -7.676 -3.920 1.00 62.45 H new ATOM 0 HG21 THR A 81 5.943 -4.442 -2.655 1.00 44.11 H new ATOM 0 HG22 THR A 81 4.572 -3.974 -3.689 1.00 44.11 H new ATOM 0 HG23 THR A 81 4.322 -5.105 -2.338 1.00 44.11 H new ATOM 1305 N VAL A 82 4.052 -5.227 -6.792 1.00 62.54 N ATOM 1306 CA VAL A 82 3.609 -4.219 -7.747 1.00 52.42 C ATOM 1307 C VAL A 82 2.130 -4.387 -8.078 1.00 3.03 C ATOM 1308 O VAL A 82 1.448 -3.423 -8.427 1.00 2.24 O ATOM 1309 CB VAL A 82 4.426 -4.283 -9.051 1.00 12.23 C ATOM 1310 CG1 VAL A 82 3.922 -3.250 -10.049 1.00 31.13 C ATOM 1311 CG2 VAL A 82 5.906 -4.079 -8.763 1.00 22.41 C ATOM 0 H VAL A 82 4.837 -5.794 -7.112 1.00 62.54 H new ATOM 0 HA VAL A 82 3.765 -3.248 -7.277 1.00 52.42 H new ATOM 0 HB VAL A 82 4.297 -5.272 -9.491 1.00 12.23 H new ATOM 0 HG11 VAL A 82 4.511 -3.310 -10.964 1.00 31.13 H new ATOM 0 HG12 VAL A 82 2.875 -3.446 -10.278 1.00 31.13 H new ATOM 0 HG13 VAL A 82 4.019 -2.253 -9.620 1.00 31.13 H new ATOM 0 HG21 VAL A 82 6.468 -4.127 -9.696 1.00 22.41 H new ATOM 0 HG22 VAL A 82 6.055 -3.104 -8.299 1.00 22.41 H new ATOM 0 HG23 VAL A 82 6.256 -4.859 -8.087 1.00 22.41 H new ATOM 1321 N CYS A 83 1.641 -5.616 -7.965 1.00 72.43 N ATOM 1322 CA CYS A 83 0.241 -5.911 -8.253 1.00 23.20 C ATOM 1323 C CYS A 83 -0.670 -5.320 -7.183 1.00 14.33 C ATOM 1324 O CYS A 83 -1.700 -4.719 -7.491 1.00 61.15 O ATOM 1325 CB CYS A 83 0.026 -7.423 -8.345 1.00 24.13 C ATOM 1326 SG CYS A 83 0.588 -8.156 -9.899 1.00 2.13 S ATOM 0 H CYS A 83 2.192 -6.424 -7.676 1.00 72.43 H new ATOM 0 HA CYS A 83 -0.011 -5.456 -9.211 1.00 23.20 H new ATOM 0 HB2 CYS A 83 0.549 -7.904 -7.519 1.00 24.13 H new ATOM 0 HB3 CYS A 83 -1.035 -7.637 -8.218 1.00 24.13 H new ATOM 0 HG CYS A 83 1.853 -8.442 -9.811 1.00 2.13 H new ATOM 1332 N VAL A 84 -0.285 -5.494 -5.922 1.00 31.00 N ATOM 1333 CA VAL A 84 -1.068 -4.978 -4.805 1.00 53.32 C ATOM 1334 C VAL A 84 -1.126 -3.455 -4.833 1.00 33.24 C ATOM 1335 O VAL A 84 -2.163 -2.858 -4.542 1.00 2.02 O ATOM 1336 CB VAL A 84 -0.487 -5.435 -3.454 1.00 4.50 C ATOM 1337 CG1 VAL A 84 -1.283 -4.841 -2.302 1.00 41.32 C ATOM 1338 CG2 VAL A 84 -0.465 -6.953 -3.371 1.00 21.24 C ATOM 0 H VAL A 84 0.564 -5.988 -5.649 1.00 31.00 H new ATOM 0 HA VAL A 84 -2.076 -5.379 -4.912 1.00 53.32 H new ATOM 0 HB VAL A 84 0.539 -5.075 -3.378 1.00 4.50 H new ATOM 0 HG11 VAL A 84 -0.858 -5.175 -1.356 1.00 41.32 H new ATOM 0 HG12 VAL A 84 -1.242 -3.753 -2.354 1.00 41.32 H new ATOM 0 HG13 VAL A 84 -2.320 -5.169 -2.369 1.00 41.32 H new ATOM 0 HG21 VAL A 84 -0.052 -7.259 -2.410 1.00 21.24 H new ATOM 0 HG22 VAL A 84 -1.480 -7.337 -3.468 1.00 21.24 H new ATOM 0 HG23 VAL A 84 0.153 -7.352 -4.175 1.00 21.24 H new ATOM 1348 N ILE A 85 -0.007 -2.832 -5.184 1.00 64.45 N ATOM 1349 CA ILE A 85 0.070 -1.378 -5.251 1.00 20.31 C ATOM 1350 C ILE A 85 -0.960 -0.818 -6.227 1.00 61.34 C ATOM 1351 O ILE A 85 -1.556 0.231 -5.982 1.00 64.43 O ATOM 1352 CB ILE A 85 1.473 -0.906 -5.676 1.00 1.12 C ATOM 1353 CG1 ILE A 85 2.523 -1.397 -4.677 1.00 41.21 C ATOM 1354 CG2 ILE A 85 1.510 0.610 -5.790 1.00 61.12 C ATOM 1355 CD1 ILE A 85 2.693 -0.485 -3.482 1.00 53.14 C ATOM 0 H ILE A 85 0.860 -3.312 -5.427 1.00 64.45 H new ATOM 0 HA ILE A 85 -0.141 -1.005 -4.249 1.00 20.31 H new ATOM 0 HB ILE A 85 1.703 -1.329 -6.654 1.00 1.12 H new ATOM 0 HG12 ILE A 85 2.244 -2.391 -4.328 1.00 41.21 H new ATOM 0 HG13 ILE A 85 3.481 -1.496 -5.188 1.00 41.21 H new ATOM 0 HG21 ILE A 85 2.508 0.928 -6.091 1.00 61.12 H new ATOM 0 HG22 ILE A 85 0.785 0.937 -6.535 1.00 61.12 H new ATOM 0 HG23 ILE A 85 1.264 1.054 -4.825 1.00 61.12 H new ATOM 0 HD11 ILE A 85 3.453 -0.895 -2.816 1.00 53.14 H new ATOM 0 HD12 ILE A 85 3.002 0.504 -3.820 1.00 53.14 H new ATOM 0 HD13 ILE A 85 1.747 -0.406 -2.947 1.00 53.14 H new ATOM 1367 N TRP A 86 -1.164 -1.525 -7.332 1.00 50.13 N ATOM 1368 CA TRP A 86 -2.123 -1.099 -8.345 1.00 74.55 C ATOM 1369 C TRP A 86 -3.553 -1.248 -7.838 1.00 31.01 C ATOM 1370 O TRP A 86 -4.406 -0.398 -8.097 1.00 53.12 O ATOM 1371 CB TRP A 86 -1.938 -1.913 -9.628 1.00 2.34 C ATOM 1372 CG TRP A 86 -2.828 -1.468 -10.747 1.00 33.30 C ATOM 1373 CD1 TRP A 86 -2.541 -0.537 -11.704 1.00 41.00 C ATOM 1374 CD2 TRP A 86 -4.154 -1.936 -11.026 1.00 4.11 C ATOM 1375 NE1 TRP A 86 -3.606 -0.398 -12.560 1.00 52.33 N ATOM 1376 CE2 TRP A 86 -4.608 -1.245 -12.166 1.00 3.05 C ATOM 1377 CE3 TRP A 86 -4.999 -2.872 -10.424 1.00 42.23 C ATOM 1378 CZ2 TRP A 86 -5.870 -1.462 -12.713 1.00 43.24 C ATOM 1379 CZ3 TRP A 86 -6.251 -3.086 -10.968 1.00 3.34 C ATOM 1380 CH2 TRP A 86 -6.677 -2.383 -12.104 1.00 24.22 C ATOM 0 H TRP A 86 -0.679 -2.395 -7.550 1.00 50.13 H new ATOM 0 HA TRP A 86 -1.941 -0.046 -8.561 1.00 74.55 H new ATOM 0 HB2 TRP A 86 -0.899 -1.840 -9.949 1.00 2.34 H new ATOM 0 HB3 TRP A 86 -2.133 -2.964 -9.414 1.00 2.34 H new ATOM 0 HD1 TRP A 86 -1.613 0.010 -11.777 1.00 41.00 H new ATOM 0 HE1 TRP A 86 -3.645 0.234 -13.360 1.00 52.33 H new ATOM 0 HE3 TRP A 86 -4.679 -3.418 -9.549 1.00 42.23 H new ATOM 0 HZ2 TRP A 86 -6.200 -0.922 -13.588 1.00 43.24 H new ATOM 0 HZ3 TRP A 86 -6.913 -3.807 -10.511 1.00 3.34 H new ATOM 0 HH2 TRP A 86 -7.661 -2.573 -12.506 1.00 24.22 H new ATOM 1391 N CYS A 87 -3.809 -2.332 -7.113 1.00 74.02 N ATOM 1392 CA CYS A 87 -5.138 -2.591 -6.569 1.00 61.04 C ATOM 1393 C CYS A 87 -5.534 -1.514 -5.564 1.00 64.04 C ATOM 1394 O CYS A 87 -6.717 -1.320 -5.282 1.00 4.25 O ATOM 1395 CB CYS A 87 -5.179 -3.968 -5.903 1.00 1.32 C ATOM 1396 SG CYS A 87 -5.669 -5.310 -7.012 1.00 5.24 S ATOM 0 H CYS A 87 -3.115 -3.045 -6.889 1.00 74.02 H new ATOM 0 HA CYS A 87 -5.851 -2.572 -7.393 1.00 61.04 H new ATOM 0 HB2 CYS A 87 -4.194 -4.191 -5.493 1.00 1.32 H new ATOM 0 HB3 CYS A 87 -5.873 -3.933 -5.063 1.00 1.32 H new ATOM 0 HG CYS A 87 -6.851 -5.738 -6.679 1.00 5.24 H new ATOM 1402 N ILE A 88 -4.538 -0.820 -5.026 1.00 45.34 N ATOM 1403 CA ILE A 88 -4.782 0.237 -4.052 1.00 41.42 C ATOM 1404 C ILE A 88 -5.237 1.521 -4.737 1.00 32.12 C ATOM 1405 O ILE A 88 -6.105 2.233 -4.231 1.00 32.24 O ATOM 1406 CB ILE A 88 -3.523 0.533 -3.215 1.00 55.14 C ATOM 1407 CG1 ILE A 88 -3.111 -0.706 -2.418 1.00 52.13 C ATOM 1408 CG2 ILE A 88 -3.772 1.710 -2.284 1.00 54.03 C ATOM 1409 CD1 ILE A 88 -1.649 -0.718 -2.033 1.00 5.35 C ATOM 0 H ILE A 88 -3.554 -0.970 -5.248 1.00 45.34 H new ATOM 0 HA ILE A 88 -5.572 -0.119 -3.391 1.00 41.42 H new ATOM 0 HB ILE A 88 -2.708 0.794 -3.890 1.00 55.14 H new ATOM 0 HG12 ILE A 88 -3.717 -0.764 -1.514 1.00 52.13 H new ATOM 0 HG13 ILE A 88 -3.331 -1.596 -3.007 1.00 52.13 H new ATOM 0 HG21 ILE A 88 -2.874 1.908 -1.699 1.00 54.03 H new ATOM 0 HG22 ILE A 88 -4.023 2.593 -2.872 1.00 54.03 H new ATOM 0 HG23 ILE A 88 -4.598 1.474 -1.613 1.00 54.03 H new ATOM 0 HD11 ILE A 88 -1.428 -1.625 -1.470 1.00 5.35 H new ATOM 0 HD12 ILE A 88 -1.035 -0.691 -2.933 1.00 5.35 H new ATOM 0 HD13 ILE A 88 -1.428 0.154 -1.417 1.00 5.35 H new ATOM 1421 N HIS A 89 -4.647 1.811 -5.893 1.00 31.42 N ATOM 1422 CA HIS A 89 -4.994 3.009 -6.650 1.00 21.31 C ATOM 1423 C HIS A 89 -6.156 2.734 -7.599 1.00 22.11 C ATOM 1424 O HIS A 89 -6.851 3.692 -7.936 1.00 3.34 O ATOM 1425 CB HIS A 89 -3.782 3.507 -7.440 1.00 15.44 C ATOM 1426 CG HIS A 89 -2.587 3.795 -6.584 1.00 12.20 C ATOM 1427 ND1 HIS A 89 -2.659 4.500 -5.401 1.00 71.22 N ATOM 1428 CD2 HIS A 89 -1.283 3.467 -6.746 1.00 14.41 C ATOM 1429 CE1 HIS A 89 -1.453 4.594 -4.873 1.00 24.54 C ATOM 1430 NE2 HIS A 89 -0.599 3.975 -5.669 1.00 60.45 N ATOM 0 H HIS A 89 -3.927 1.233 -6.326 1.00 31.42 H new ATOM 0 HA HIS A 89 -5.300 3.780 -5.943 1.00 21.31 H new ATOM 0 HB2 HIS A 89 -3.513 2.759 -8.186 1.00 15.44 H new ATOM 0 HB3 HIS A 89 -4.058 4.412 -7.981 1.00 15.44 H new ATOM 0 HD2 HIS A 89 -0.860 2.910 -7.569 1.00 14.41 H new ATOM 0 HE1 HIS A 89 -1.206 5.092 -3.947 1.00 24.54 H new ATOM 0 HE2 HIS A 89 0.405 3.889 -5.509 1.00 60.45 H new ATOM 1438 N ALA A 90 -6.378 1.494 -8.024 1.00 11.11 N ATOM 1439 CA ALA A 90 -7.477 1.182 -8.929 1.00 53.31 C ATOM 1440 C ALA A 90 -8.787 1.018 -8.167 1.00 1.04 C ATOM 1441 O ALA A 90 -9.816 0.676 -8.749 1.00 24.33 O ATOM 1442 CB ALA A 90 -7.165 -0.077 -9.724 1.00 31.14 C ATOM 0 H ALA A 90 -5.811 0.690 -7.756 1.00 11.11 H new ATOM 0 HA ALA A 90 -7.592 2.016 -9.621 1.00 53.31 H new ATOM 0 HB1 ALA A 90 -7.994 -0.298 -10.396 1.00 31.14 H new ATOM 0 HB2 ALA A 90 -6.257 0.077 -10.307 1.00 31.14 H new ATOM 0 HB3 ALA A 90 -7.020 -0.913 -9.040 1.00 31.14 H new ATOM 1448 N GLU A 91 -8.741 1.262 -6.860 1.00 0.21 N ATOM 1449 CA GLU A 91 -9.925 1.139 -6.019 1.00 1.33 C ATOM 1450 C GLU A 91 -10.383 -0.314 -5.933 1.00 72.12 C ATOM 1451 O GLU A 91 -11.535 -0.593 -5.602 1.00 63.22 O ATOM 1452 CB GLU A 91 -11.058 2.012 -6.562 1.00 40.11 C ATOM 1453 CG GLU A 91 -12.150 2.294 -5.545 1.00 13.44 C ATOM 1454 CD GLU A 91 -13.017 3.477 -5.933 1.00 71.33 C ATOM 1455 OE1 GLU A 91 -12.560 4.628 -5.770 1.00 62.34 O ATOM 1456 OE2 GLU A 91 -14.153 3.251 -6.401 1.00 13.01 O ATOM 0 H GLU A 91 -7.897 1.546 -6.362 1.00 0.21 H new ATOM 0 HA GLU A 91 -9.664 1.479 -5.017 1.00 1.33 H new ATOM 0 HB2 GLU A 91 -10.642 2.958 -6.908 1.00 40.11 H new ATOM 0 HB3 GLU A 91 -11.499 1.522 -7.430 1.00 40.11 H new ATOM 0 HG2 GLU A 91 -12.777 1.409 -5.436 1.00 13.44 H new ATOM 0 HG3 GLU A 91 -11.696 2.485 -4.573 1.00 13.44 H new ATOM 1463 N GLU A 92 -9.473 -1.234 -6.237 1.00 31.42 N ATOM 1464 CA GLU A 92 -9.785 -2.658 -6.196 1.00 13.31 C ATOM 1465 C GLU A 92 -9.540 -3.229 -4.802 1.00 4.03 C ATOM 1466 O GLU A 92 -8.531 -2.928 -4.163 1.00 62.31 O ATOM 1467 CB GLU A 92 -8.944 -3.416 -7.225 1.00 21.24 C ATOM 1468 CG GLU A 92 -9.442 -3.262 -8.651 1.00 73.35 C ATOM 1469 CD GLU A 92 -10.768 -3.961 -8.885 1.00 60.21 C ATOM 1470 OE1 GLU A 92 -11.334 -4.501 -7.912 1.00 1.33 O ATOM 1471 OE2 GLU A 92 -11.239 -3.968 -10.042 1.00 35.04 O ATOM 0 H GLU A 92 -8.515 -1.019 -6.514 1.00 31.42 H new ATOM 0 HA GLU A 92 -10.841 -2.780 -6.439 1.00 13.31 H new ATOM 0 HB2 GLU A 92 -7.914 -3.065 -7.169 1.00 21.24 H new ATOM 0 HB3 GLU A 92 -8.934 -4.474 -6.965 1.00 21.24 H new ATOM 0 HG2 GLU A 92 -9.549 -2.202 -8.882 1.00 73.35 H new ATOM 0 HG3 GLU A 92 -8.697 -3.665 -9.337 1.00 73.35 H new ATOM 1478 N LYS A 93 -10.471 -4.055 -4.336 1.00 23.21 N ATOM 1479 CA LYS A 93 -10.357 -4.669 -3.019 1.00 32.43 C ATOM 1480 C LYS A 93 -9.928 -6.129 -3.134 1.00 60.21 C ATOM 1481 O LYS A 93 -10.505 -6.897 -3.905 1.00 43.00 O ATOM 1482 CB LYS A 93 -11.691 -4.577 -2.274 1.00 2.44 C ATOM 1483 CG LYS A 93 -11.681 -5.266 -0.920 1.00 24.32 C ATOM 1484 CD LYS A 93 -12.354 -6.627 -0.983 1.00 33.32 C ATOM 1485 CE LYS A 93 -13.092 -6.944 0.309 1.00 70.32 C ATOM 1486 NZ LYS A 93 -14.456 -7.482 0.051 1.00 52.14 N ATOM 0 H LYS A 93 -11.312 -4.314 -4.851 1.00 23.21 H new ATOM 0 HA LYS A 93 -9.595 -4.127 -2.458 1.00 32.43 H new ATOM 0 HB2 LYS A 93 -11.949 -3.527 -2.136 1.00 2.44 H new ATOM 0 HB3 LYS A 93 -12.473 -5.019 -2.891 1.00 2.44 H new ATOM 0 HG2 LYS A 93 -10.653 -5.383 -0.578 1.00 24.32 H new ATOM 0 HG3 LYS A 93 -12.191 -4.640 -0.188 1.00 24.32 H new ATOM 0 HD2 LYS A 93 -13.054 -6.650 -1.818 1.00 33.32 H new ATOM 0 HD3 LYS A 93 -11.605 -7.396 -1.174 1.00 33.32 H new ATOM 0 HE2 LYS A 93 -12.519 -7.670 0.886 1.00 70.32 H new ATOM 0 HE3 LYS A 93 -13.166 -6.041 0.916 1.00 70.32 H new ATOM 0 HZ1 LYS A 93 -14.926 -7.685 0.956 1.00 52.14 H new ATOM 0 HZ2 LYS A 93 -15.012 -6.780 -0.478 1.00 52.14 H new ATOM 0 HZ3 LYS A 93 -14.384 -8.357 -0.506 1.00 52.14 H new ATOM 1500 N VAL A 94 -8.913 -6.506 -2.363 1.00 31.15 N ATOM 1501 CA VAL A 94 -8.409 -7.874 -2.377 1.00 1.54 C ATOM 1502 C VAL A 94 -8.137 -8.373 -0.962 1.00 61.25 C ATOM 1503 O VAL A 94 -8.008 -7.584 -0.027 1.00 5.31 O ATOM 1504 CB VAL A 94 -7.116 -7.987 -3.207 1.00 13.44 C ATOM 1505 CG1 VAL A 94 -7.367 -7.560 -4.645 1.00 52.31 C ATOM 1506 CG2 VAL A 94 -6.008 -7.155 -2.580 1.00 63.21 C ATOM 0 H VAL A 94 -8.423 -5.883 -1.721 1.00 31.15 H new ATOM 0 HA VAL A 94 -9.181 -8.492 -2.835 1.00 1.54 H new ATOM 0 HB VAL A 94 -6.797 -9.029 -3.213 1.00 13.44 H new ATOM 0 HG11 VAL A 94 -6.443 -7.646 -5.217 1.00 52.31 H new ATOM 0 HG12 VAL A 94 -8.129 -8.202 -5.087 1.00 52.31 H new ATOM 0 HG13 VAL A 94 -7.710 -6.525 -4.663 1.00 52.31 H new ATOM 0 HG21 VAL A 94 -5.102 -7.246 -3.179 1.00 63.21 H new ATOM 0 HG22 VAL A 94 -6.315 -6.110 -2.542 1.00 63.21 H new ATOM 0 HG23 VAL A 94 -5.812 -7.512 -1.569 1.00 63.21 H new ATOM 1516 N LYS A 95 -8.051 -9.691 -0.813 1.00 23.44 N ATOM 1517 CA LYS A 95 -7.792 -10.299 0.487 1.00 71.14 C ATOM 1518 C LYS A 95 -6.352 -10.794 0.579 1.00 13.01 C ATOM 1519 O LYS A 95 -5.785 -10.882 1.668 1.00 61.11 O ATOM 1520 CB LYS A 95 -8.758 -11.460 0.731 1.00 74.41 C ATOM 1521 CG LYS A 95 -10.183 -11.017 1.019 1.00 45.43 C ATOM 1522 CD LYS A 95 -11.115 -11.360 -0.131 1.00 14.24 C ATOM 1523 CE LYS A 95 -11.482 -12.837 -0.129 1.00 3.32 C ATOM 1524 NZ LYS A 95 -11.373 -13.437 -1.487 1.00 55.35 N ATOM 0 H LYS A 95 -8.157 -10.359 -1.577 1.00 23.44 H new ATOM 0 HA LYS A 95 -7.946 -9.539 1.253 1.00 71.14 H new ATOM 0 HB2 LYS A 95 -8.759 -12.111 -0.143 1.00 74.41 H new ATOM 0 HB3 LYS A 95 -8.395 -12.054 1.570 1.00 74.41 H new ATOM 0 HG2 LYS A 95 -10.537 -11.497 1.931 1.00 45.43 H new ATOM 0 HG3 LYS A 95 -10.202 -9.942 1.196 1.00 45.43 H new ATOM 0 HD2 LYS A 95 -12.021 -10.759 -0.058 1.00 14.24 H new ATOM 0 HD3 LYS A 95 -10.637 -11.104 -1.077 1.00 14.24 H new ATOM 0 HE2 LYS A 95 -10.828 -13.373 0.558 1.00 3.32 H new ATOM 0 HE3 LYS A 95 -12.500 -12.958 0.241 1.00 3.32 H new ATOM 0 HZ1 LYS A 95 -11.631 -14.444 -1.444 1.00 55.35 H new ATOM 0 HZ2 LYS A 95 -12.016 -12.942 -2.138 1.00 55.35 H new ATOM 0 HZ3 LYS A 95 -10.395 -13.345 -1.830 1.00 55.35 H new ATOM 1538 N ASP A 96 -5.767 -11.113 -0.569 1.00 45.25 N ATOM 1539 CA ASP A 96 -4.392 -11.596 -0.618 1.00 3.11 C ATOM 1540 C ASP A 96 -3.694 -11.124 -1.890 1.00 61.13 C ATOM 1541 O ASP A 96 -4.231 -10.307 -2.640 1.00 23.23 O ATOM 1542 CB ASP A 96 -4.362 -13.124 -0.543 1.00 5.05 C ATOM 1543 CG ASP A 96 -5.058 -13.776 -1.721 1.00 11.54 C ATOM 1544 OD1 ASP A 96 -6.293 -13.953 -1.656 1.00 44.15 O ATOM 1545 OD2 ASP A 96 -4.368 -14.110 -2.707 1.00 44.53 O ATOM 0 H ASP A 96 -6.223 -11.046 -1.479 1.00 45.25 H new ATOM 0 HA ASP A 96 -3.859 -11.187 0.241 1.00 3.11 H new ATOM 0 HB2 ASP A 96 -3.327 -13.462 -0.504 1.00 5.05 H new ATOM 0 HB3 ASP A 96 -4.839 -13.449 0.382 1.00 5.05 H new ATOM 1550 N THR A 97 -2.494 -11.643 -2.129 1.00 63.14 N ATOM 1551 CA THR A 97 -1.722 -11.274 -3.308 1.00 61.34 C ATOM 1552 C THR A 97 -2.236 -11.996 -4.550 1.00 5.43 C ATOM 1553 O THR A 97 -2.483 -11.375 -5.582 1.00 2.41 O ATOM 1554 CB THR A 97 -0.226 -11.594 -3.124 1.00 50.24 C ATOM 1555 OG1 THR A 97 0.286 -10.896 -1.985 1.00 25.13 O ATOM 1556 CG2 THR A 97 0.567 -11.205 -4.363 1.00 1.05 C ATOM 0 H THR A 97 -2.035 -12.321 -1.520 1.00 63.14 H new ATOM 0 HA THR A 97 -1.842 -10.199 -3.440 1.00 61.34 H new ATOM 0 HB THR A 97 -0.122 -12.668 -2.969 1.00 50.24 H new ATOM 0 HG1 THR A 97 -0.312 -11.034 -1.221 1.00 25.13 H new ATOM 0 HG21 THR A 97 1.620 -11.440 -4.210 1.00 1.05 H new ATOM 0 HG22 THR A 97 0.193 -11.760 -5.223 1.00 1.05 H new ATOM 0 HG23 THR A 97 0.457 -10.136 -4.545 1.00 1.05 H new ATOM 1564 N GLU A 98 -2.394 -13.312 -4.440 1.00 45.10 N ATOM 1565 CA GLU A 98 -2.877 -14.117 -5.556 1.00 24.43 C ATOM 1566 C GLU A 98 -4.153 -13.522 -6.143 1.00 40.41 C ATOM 1567 O GLU A 98 -4.341 -13.508 -7.360 1.00 34.15 O ATOM 1568 CB GLU A 98 -3.136 -15.555 -5.100 1.00 43.54 C ATOM 1569 CG GLU A 98 -2.066 -16.536 -5.549 1.00 71.54 C ATOM 1570 CD GLU A 98 -2.269 -17.008 -6.976 1.00 32.42 C ATOM 1571 OE1 GLU A 98 -3.310 -17.642 -7.248 1.00 55.33 O ATOM 1572 OE2 GLU A 98 -1.388 -16.745 -7.820 1.00 12.32 O ATOM 0 H GLU A 98 -2.195 -13.842 -3.591 1.00 45.10 H new ATOM 0 HA GLU A 98 -2.108 -14.120 -6.329 1.00 24.43 H new ATOM 0 HB2 GLU A 98 -3.203 -15.576 -4.012 1.00 43.54 H new ATOM 0 HB3 GLU A 98 -4.102 -15.882 -5.486 1.00 43.54 H new ATOM 0 HG2 GLU A 98 -1.087 -16.065 -5.462 1.00 71.54 H new ATOM 0 HG3 GLU A 98 -2.066 -17.398 -4.882 1.00 71.54 H new ATOM 1579 N GLY A 99 -5.027 -13.029 -5.270 1.00 70.31 N ATOM 1580 CA GLY A 99 -6.274 -12.440 -5.721 1.00 20.20 C ATOM 1581 C GLY A 99 -6.059 -11.170 -6.520 1.00 50.43 C ATOM 1582 O GLY A 99 -6.651 -10.991 -7.585 1.00 5.11 O ATOM 0 H GLY A 99 -4.893 -13.027 -4.259 1.00 70.31 H new ATOM 0 HA2 GLY A 99 -6.814 -13.163 -6.332 1.00 20.20 H new ATOM 0 HA3 GLY A 99 -6.902 -12.221 -4.858 1.00 20.20 H new ATOM 1586 N ALA A 100 -5.213 -10.285 -6.005 1.00 5.10 N ATOM 1587 CA ALA A 100 -4.922 -9.025 -6.678 1.00 22.22 C ATOM 1588 C ALA A 100 -4.152 -9.260 -7.974 1.00 54.20 C ATOM 1589 O ALA A 100 -4.276 -8.492 -8.929 1.00 3.04 O ATOM 1590 CB ALA A 100 -4.137 -8.103 -5.756 1.00 43.42 C ATOM 0 H ALA A 100 -4.717 -10.417 -5.124 1.00 5.10 H new ATOM 0 HA ALA A 100 -5.870 -8.549 -6.930 1.00 22.22 H new ATOM 0 HB1 ALA A 100 -3.927 -7.166 -6.272 1.00 43.42 H new ATOM 0 HB2 ALA A 100 -4.723 -7.900 -4.859 1.00 43.42 H new ATOM 0 HB3 ALA A 100 -3.199 -8.582 -5.476 1.00 43.42 H new ATOM 1596 N LYS A 101 -3.359 -10.325 -8.000 1.00 43.30 N ATOM 1597 CA LYS A 101 -2.569 -10.662 -9.179 1.00 43.23 C ATOM 1598 C LYS A 101 -3.471 -11.050 -10.346 1.00 11.10 C ATOM 1599 O LYS A 101 -3.145 -10.797 -11.505 1.00 22.32 O ATOM 1600 CB LYS A 101 -1.605 -11.808 -8.862 1.00 11.32 C ATOM 1601 CG LYS A 101 -0.367 -11.821 -9.741 1.00 21.02 C ATOM 1602 CD LYS A 101 -0.173 -13.171 -10.411 1.00 31.04 C ATOM 1603 CE LYS A 101 1.302 -13.514 -10.559 1.00 11.21 C ATOM 1604 NZ LYS A 101 1.656 -14.766 -9.834 1.00 11.52 N ATOM 0 H LYS A 101 -3.246 -10.970 -7.218 1.00 43.30 H new ATOM 0 HA LYS A 101 -1.995 -9.781 -9.465 1.00 43.23 H new ATOM 0 HB2 LYS A 101 -1.299 -11.736 -7.818 1.00 11.32 H new ATOM 0 HB3 LYS A 101 -2.131 -12.756 -8.975 1.00 11.32 H new ATOM 0 HG2 LYS A 101 -0.452 -11.045 -10.502 1.00 21.02 H new ATOM 0 HG3 LYS A 101 0.510 -11.583 -9.139 1.00 21.02 H new ATOM 0 HD2 LYS A 101 -0.670 -13.944 -9.825 1.00 31.04 H new ATOM 0 HD3 LYS A 101 -0.646 -13.162 -11.393 1.00 31.04 H new ATOM 0 HE2 LYS A 101 1.545 -13.625 -11.616 1.00 11.21 H new ATOM 0 HE3 LYS A 101 1.906 -12.691 -10.178 1.00 11.21 H new ATOM 0 HZ1 LYS A 101 2.669 -14.965 -9.959 1.00 11.52 H new ATOM 0 HZ2 LYS A 101 1.448 -14.651 -8.821 1.00 11.52 H new ATOM 0 HZ3 LYS A 101 1.098 -15.557 -10.214 1.00 11.52 H new ATOM 1618 N GLN A 102 -4.607 -11.665 -10.030 1.00 20.11 N ATOM 1619 CA GLN A 102 -5.556 -12.087 -11.053 1.00 74.13 C ATOM 1620 C GLN A 102 -6.346 -10.896 -11.587 1.00 23.11 C ATOM 1621 O GLN A 102 -6.637 -10.818 -12.781 1.00 54.13 O ATOM 1622 CB GLN A 102 -6.513 -13.137 -10.488 1.00 35.42 C ATOM 1623 CG GLN A 102 -7.359 -13.824 -11.548 1.00 53.35 C ATOM 1624 CD GLN A 102 -8.387 -14.767 -10.956 1.00 0.15 C ATOM 1625 OE1 GLN A 102 -8.059 -15.624 -10.135 1.00 31.14 O ATOM 1626 NE2 GLN A 102 -9.640 -14.615 -11.370 1.00 64.22 N ATOM 0 H GLN A 102 -4.892 -11.882 -9.075 1.00 20.11 H new ATOM 0 HA GLN A 102 -4.993 -12.525 -11.877 1.00 74.13 H new ATOM 0 HB2 GLN A 102 -5.936 -13.890 -9.951 1.00 35.42 H new ATOM 0 HB3 GLN A 102 -7.172 -12.662 -9.761 1.00 35.42 H new ATOM 0 HG2 GLN A 102 -7.868 -13.068 -12.147 1.00 53.35 H new ATOM 0 HG3 GLN A 102 -6.708 -14.380 -12.222 1.00 53.35 H new ATOM 0 HE21 GLN A 102 -9.868 -13.891 -12.052 1.00 64.22 H new ATOM 0 HE22 GLN A 102 -10.375 -15.222 -11.006 1.00 64.22 H new ATOM 1635 N ILE A 103 -6.690 -9.973 -10.696 1.00 30.21 N ATOM 1636 CA ILE A 103 -7.445 -8.787 -11.078 1.00 75.13 C ATOM 1637 C ILE A 103 -6.678 -7.951 -12.097 1.00 0.15 C ATOM 1638 O ILE A 103 -7.233 -7.517 -13.106 1.00 73.43 O ATOM 1639 CB ILE A 103 -7.776 -7.911 -9.856 1.00 5.50 C ATOM 1640 CG1 ILE A 103 -8.614 -8.699 -8.848 1.00 24.05 C ATOM 1641 CG2 ILE A 103 -8.507 -6.649 -10.289 1.00 63.42 C ATOM 1642 CD1 ILE A 103 -8.734 -8.021 -7.501 1.00 1.55 C ATOM 0 H ILE A 103 -6.458 -10.024 -9.704 1.00 30.21 H new ATOM 0 HA ILE A 103 -8.375 -9.137 -11.525 1.00 75.13 H new ATOM 0 HB ILE A 103 -6.843 -7.619 -9.375 1.00 5.50 H new ATOM 0 HG12 ILE A 103 -9.612 -8.853 -9.259 1.00 24.05 H new ATOM 0 HG13 ILE A 103 -8.170 -9.685 -8.711 1.00 24.05 H new ATOM 0 HG21 ILE A 103 -8.734 -6.041 -9.413 1.00 63.42 H new ATOM 0 HG22 ILE A 103 -7.877 -6.080 -10.973 1.00 63.42 H new ATOM 0 HG23 ILE A 103 -9.435 -6.921 -10.792 1.00 63.42 H new ATOM 0 HD11 ILE A 103 -9.341 -8.636 -6.837 1.00 1.55 H new ATOM 0 HD12 ILE A 103 -7.742 -7.892 -7.069 1.00 1.55 H new ATOM 0 HD13 ILE A 103 -9.206 -7.046 -7.625 1.00 1.55 H new ATOM 1654 N VAL A 104 -5.395 -7.730 -11.827 1.00 11.44 N ATOM 1655 CA VAL A 104 -4.549 -6.948 -12.720 1.00 35.25 C ATOM 1656 C VAL A 104 -4.419 -7.621 -14.081 1.00 62.13 C ATOM 1657 O VAL A 104 -4.545 -6.972 -15.120 1.00 63.32 O ATOM 1658 CB VAL A 104 -3.143 -6.742 -12.125 1.00 10.02 C ATOM 1659 CG1 VAL A 104 -2.243 -6.026 -13.119 1.00 25.33 C ATOM 1660 CG2 VAL A 104 -3.227 -5.971 -10.817 1.00 1.34 C ATOM 0 H VAL A 104 -4.919 -8.082 -10.996 1.00 11.44 H new ATOM 0 HA VAL A 104 -5.029 -5.977 -12.842 1.00 35.25 H new ATOM 0 HB VAL A 104 -2.708 -7.719 -11.917 1.00 10.02 H new ATOM 0 HG11 VAL A 104 -1.254 -5.889 -12.681 1.00 25.33 H new ATOM 0 HG12 VAL A 104 -2.158 -6.622 -14.028 1.00 25.33 H new ATOM 0 HG13 VAL A 104 -2.670 -5.053 -13.361 1.00 25.33 H new ATOM 0 HG21 VAL A 104 -2.225 -5.834 -10.410 1.00 1.34 H new ATOM 0 HG22 VAL A 104 -3.681 -4.997 -10.997 1.00 1.34 H new ATOM 0 HG23 VAL A 104 -3.835 -6.529 -10.104 1.00 1.34 H new ATOM 1670 N ARG A 105 -4.168 -8.926 -14.070 1.00 13.25 N ATOM 1671 CA ARG A 105 -4.020 -9.688 -15.304 1.00 12.34 C ATOM 1672 C ARG A 105 -5.278 -9.581 -16.162 1.00 2.43 C ATOM 1673 O ARG A 105 -5.226 -9.115 -17.300 1.00 15.51 O ATOM 1674 CB ARG A 105 -3.726 -11.155 -14.990 1.00 73.50 C ATOM 1675 CG ARG A 105 -3.359 -11.978 -16.214 1.00 73.30 C ATOM 1676 CD ARG A 105 -1.867 -11.921 -16.497 1.00 21.04 C ATOM 1677 NE ARG A 105 -1.129 -12.932 -15.744 1.00 43.24 N ATOM 1678 CZ ARG A 105 0.157 -13.203 -15.943 1.00 2.43 C ATOM 1679 NH1 ARG A 105 0.842 -12.541 -16.865 1.00 21.24 N ATOM 1680 NH2 ARG A 105 0.759 -14.137 -15.218 1.00 1.34 N ATOM 0 H ARG A 105 -4.063 -9.478 -13.219 1.00 13.25 H new ATOM 0 HA ARG A 105 -3.183 -9.269 -15.863 1.00 12.34 H new ATOM 0 HB2 ARG A 105 -2.910 -11.207 -14.270 1.00 73.50 H new ATOM 0 HB3 ARG A 105 -4.600 -11.598 -14.513 1.00 73.50 H new ATOM 0 HG2 ARG A 105 -3.662 -13.014 -16.061 1.00 73.30 H new ATOM 0 HG3 ARG A 105 -3.909 -11.609 -17.080 1.00 73.30 H new ATOM 0 HD2 ARG A 105 -1.694 -12.065 -17.564 1.00 21.04 H new ATOM 0 HD3 ARG A 105 -1.487 -10.931 -16.244 1.00 21.04 H new ATOM 0 HE ARG A 105 -1.628 -13.459 -15.027 1.00 43.24 H new ATOM 0 HH11 ARG A 105 0.382 -11.822 -17.424 1.00 21.24 H new ATOM 0 HH12 ARG A 105 1.829 -12.751 -17.016 1.00 21.24 H new ATOM 0 HH21 ARG A 105 0.235 -14.648 -14.507 1.00 1.34 H new ATOM 0 HH22 ARG A 105 1.746 -14.344 -15.371 1.00 1.34 H new ATOM 1694 N ARG A 106 -6.404 -10.017 -15.608 1.00 62.33 N ATOM 1695 CA ARG A 106 -7.674 -9.973 -16.323 1.00 33.22 C ATOM 1696 C ARG A 106 -7.925 -8.583 -16.900 1.00 44.41 C ATOM 1697 O ARG A 106 -8.261 -8.438 -18.075 1.00 42.31 O ATOM 1698 CB ARG A 106 -8.822 -10.365 -15.391 1.00 1.23 C ATOM 1699 CG ARG A 106 -9.233 -11.824 -15.511 1.00 73.02 C ATOM 1700 CD ARG A 106 -10.234 -12.030 -16.637 1.00 10.42 C ATOM 1701 NE ARG A 106 -9.732 -12.948 -17.655 1.00 51.42 N ATOM 1702 CZ ARG A 106 -10.239 -13.035 -18.880 1.00 53.01 C ATOM 1703 NH1 ARG A 106 -11.258 -12.265 -19.236 1.00 42.53 N ATOM 1704 NH2 ARG A 106 -9.727 -13.895 -19.752 1.00 32.03 N ATOM 0 H ARG A 106 -6.463 -10.405 -14.666 1.00 62.33 H new ATOM 0 HA ARG A 106 -7.624 -10.686 -17.146 1.00 33.22 H new ATOM 0 HB2 ARG A 106 -8.528 -10.163 -14.361 1.00 1.23 H new ATOM 0 HB3 ARG A 106 -9.685 -9.734 -15.606 1.00 1.23 H new ATOM 0 HG2 ARG A 106 -8.351 -12.438 -15.690 1.00 73.02 H new ATOM 0 HG3 ARG A 106 -9.669 -12.159 -14.570 1.00 73.02 H new ATOM 0 HD2 ARG A 106 -11.166 -12.419 -16.227 1.00 10.42 H new ATOM 0 HD3 ARG A 106 -10.464 -11.069 -17.097 1.00 10.42 H new ATOM 0 HE ARG A 106 -8.949 -13.556 -17.413 1.00 51.42 H new ATOM 0 HH11 ARG A 106 -11.655 -11.603 -18.569 1.00 42.53 H new ATOM 0 HH12 ARG A 106 -11.645 -12.334 -20.177 1.00 42.53 H new ATOM 0 HH21 ARG A 106 -8.944 -14.490 -19.482 1.00 32.03 H new ATOM 0 HH22 ARG A 106 -10.117 -13.961 -20.692 1.00 32.03 H new ATOM 1718 N HIS A 107 -7.760 -7.562 -16.064 1.00 25.21 N ATOM 1719 CA HIS A 107 -7.969 -6.182 -16.490 1.00 63.20 C ATOM 1720 C HIS A 107 -7.126 -5.862 -17.722 1.00 5.05 C ATOM 1721 O HIS A 107 -7.541 -4.983 -18.479 1.00 22.13 O ATOM 1722 CB HIS A 107 -7.621 -5.217 -15.356 1.00 32.34 C ATOM 1723 CG HIS A 107 -8.778 -4.913 -14.454 1.00 21.14 C ATOM 1724 ND1 HIS A 107 -10.052 -4.669 -14.920 1.00 24.44 N ATOM 1725 CD2 HIS A 107 -8.847 -4.815 -13.105 1.00 54.23 C ATOM 1726 CE1 HIS A 107 -10.854 -4.433 -13.897 1.00 74.42 C ATOM 1727 NE2 HIS A 107 -10.147 -4.516 -12.785 1.00 73.33 N ATOM 0 H HIS A 107 -7.482 -7.664 -15.088 1.00 25.21 H new ATOM 0 HA HIS A 107 -9.021 -6.062 -16.748 1.00 63.20 H new ATOM 0 HB2 HIS A 107 -6.811 -5.642 -14.764 1.00 32.34 H new ATOM 0 HB3 HIS A 107 -7.249 -4.286 -15.783 1.00 32.34 H new ATOM 0 HD2 HIS A 107 -8.031 -4.948 -12.411 1.00 54.23 H new ATOM 0 HE1 HIS A 107 -11.909 -4.210 -13.960 1.00 74.42 H new ATOM 0 HE2 HIS A 107 -10.509 -4.380 -11.841 1.00 73.33 H new ATOM 1735 N LEU A 108 -5.995 -6.526 -17.935 1.00 62.42 N ATOM 1736 CA LEU A 108 -5.157 -6.255 -19.098 1.00 71.30 C ATOM 1737 C LEU A 108 -5.532 -7.164 -20.264 1.00 72.11 C ATOM 1738 O LEU A 108 -5.704 -6.704 -21.393 1.00 22.54 O ATOM 1739 CB LEU A 108 -3.681 -6.446 -18.742 1.00 41.23 C ATOM 1740 CG LEU A 108 -3.103 -5.461 -17.725 1.00 55.32 C ATOM 1741 CD1 LEU A 108 -1.685 -5.858 -17.343 1.00 71.24 C ATOM 1742 CD2 LEU A 108 -3.130 -4.044 -18.280 1.00 55.33 C ATOM 0 H LEU A 108 -5.637 -7.255 -17.318 1.00 62.42 H new ATOM 0 HA LEU A 108 -5.322 -5.221 -19.401 1.00 71.30 H new ATOM 0 HB2 LEU A 108 -3.549 -7.456 -18.355 1.00 41.23 H new ATOM 0 HB3 LEU A 108 -3.095 -6.377 -19.658 1.00 41.23 H new ATOM 0 HG LEU A 108 -3.721 -5.491 -16.828 1.00 55.32 H new ATOM 0 HD11 LEU A 108 -1.290 -5.146 -16.619 1.00 71.24 H new ATOM 0 HD12 LEU A 108 -1.692 -6.856 -16.904 1.00 71.24 H new ATOM 0 HD13 LEU A 108 -1.055 -5.858 -18.232 1.00 71.24 H new ATOM 0 HD21 LEU A 108 -2.715 -3.357 -17.543 1.00 55.33 H new ATOM 0 HD22 LEU A 108 -2.536 -3.999 -19.193 1.00 55.33 H new ATOM 0 HD23 LEU A 108 -4.159 -3.760 -18.502 1.00 55.33 H new ATOM 1754 N VAL A 109 -5.660 -8.457 -19.982 1.00 63.22 N ATOM 1755 CA VAL A 109 -6.019 -9.430 -21.006 1.00 65.21 C ATOM 1756 C VAL A 109 -7.323 -9.047 -21.697 1.00 32.13 C ATOM 1757 O VAL A 109 -7.527 -9.347 -22.873 1.00 22.04 O ATOM 1758 CB VAL A 109 -6.162 -10.844 -20.411 1.00 75.34 C ATOM 1759 CG1 VAL A 109 -6.427 -11.861 -21.511 1.00 32.42 C ATOM 1760 CG2 VAL A 109 -4.919 -11.216 -19.618 1.00 23.44 C ATOM 0 H VAL A 109 -5.520 -8.854 -19.053 1.00 63.22 H new ATOM 0 HA VAL A 109 -5.211 -9.431 -21.738 1.00 65.21 H new ATOM 0 HB VAL A 109 -7.014 -10.849 -19.731 1.00 75.34 H new ATOM 0 HG11 VAL A 109 -6.525 -12.854 -21.072 1.00 32.42 H new ATOM 0 HG12 VAL A 109 -7.349 -11.602 -22.032 1.00 32.42 H new ATOM 0 HG13 VAL A 109 -5.597 -11.857 -22.218 1.00 32.42 H new ATOM 0 HG21 VAL A 109 -5.037 -12.218 -19.205 1.00 23.44 H new ATOM 0 HG22 VAL A 109 -4.049 -11.194 -20.274 1.00 23.44 H new ATOM 0 HG23 VAL A 109 -4.779 -10.503 -18.806 1.00 23.44 H new ATOM 1770 N ALA A 110 -8.204 -8.380 -20.957 1.00 63.34 N ATOM 1771 CA ALA A 110 -9.487 -7.952 -21.499 1.00 22.13 C ATOM 1772 C ALA A 110 -9.299 -6.929 -22.614 1.00 74.41 C ATOM 1773 O ALA A 110 -9.974 -6.988 -23.642 1.00 72.22 O ATOM 1774 CB ALA A 110 -10.361 -7.377 -20.394 1.00 42.23 C ATOM 0 H ALA A 110 -8.052 -8.125 -19.981 1.00 63.34 H new ATOM 0 HA ALA A 110 -9.983 -8.825 -21.923 1.00 22.13 H new ATOM 0 HB1 ALA A 110 -11.316 -7.061 -20.813 1.00 42.23 H new ATOM 0 HB2 ALA A 110 -10.532 -8.138 -19.633 1.00 42.23 H new ATOM 0 HB3 ALA A 110 -9.861 -6.519 -19.944 1.00 42.23 H new ATOM 1780 N GLU A 111 -8.381 -5.993 -22.403 1.00 65.23 N ATOM 1781 CA GLU A 111 -8.106 -4.957 -23.392 1.00 53.15 C ATOM 1782 C GLU A 111 -7.281 -5.513 -24.549 1.00 1.43 C ATOM 1783 O GLU A 111 -7.455 -5.113 -25.700 1.00 42.45 O ATOM 1784 CB GLU A 111 -7.368 -3.784 -22.742 1.00 53.11 C ATOM 1785 CG GLU A 111 -8.261 -2.589 -22.452 1.00 34.34 C ATOM 1786 CD GLU A 111 -8.659 -1.838 -23.707 1.00 14.43 C ATOM 1787 OE1 GLU A 111 -8.697 -2.466 -24.786 1.00 0.53 O ATOM 1788 OE2 GLU A 111 -8.932 -0.623 -23.611 1.00 3.31 O ATOM 0 H GLU A 111 -7.815 -5.930 -21.557 1.00 65.23 H new ATOM 0 HA GLU A 111 -9.059 -4.605 -23.786 1.00 53.15 H new ATOM 0 HB2 GLU A 111 -6.914 -4.122 -21.811 1.00 53.11 H new ATOM 0 HB3 GLU A 111 -6.555 -3.469 -23.397 1.00 53.11 H new ATOM 0 HG2 GLU A 111 -9.159 -2.929 -21.936 1.00 34.34 H new ATOM 0 HG3 GLU A 111 -7.743 -1.909 -21.776 1.00 34.34 H new ATOM 1795 N THR A 112 -6.380 -6.438 -24.234 1.00 22.10 N ATOM 1796 CA THR A 112 -5.526 -7.048 -25.246 1.00 34.33 C ATOM 1797 C THR A 112 -6.054 -8.418 -25.658 1.00 32.10 C ATOM 1798 O THR A 112 -5.282 -9.323 -25.974 1.00 14.55 O ATOM 1799 CB THR A 112 -4.079 -7.200 -24.742 1.00 2.24 C ATOM 1800 OG1 THR A 112 -3.816 -6.242 -23.710 1.00 73.45 O ATOM 1801 CG2 THR A 112 -3.087 -7.012 -25.880 1.00 22.13 C ATOM 0 H THR A 112 -6.223 -6.781 -23.286 1.00 22.10 H new ATOM 0 HA THR A 112 -5.535 -6.383 -26.109 1.00 34.33 H new ATOM 0 HB THR A 112 -3.961 -8.207 -24.341 1.00 2.24 H new ATOM 0 HG1 THR A 112 -4.314 -6.487 -22.902 1.00 73.45 H new ATOM 0 HG21 THR A 112 -2.072 -7.124 -25.500 1.00 22.13 H new ATOM 0 HG22 THR A 112 -3.271 -7.761 -26.650 1.00 22.13 H new ATOM 0 HG23 THR A 112 -3.207 -6.016 -26.307 1.00 22.13 H new ATOM 1809 N GLY A 113 -7.376 -8.564 -25.653 1.00 54.44 N ATOM 1810 CA GLY A 113 -7.985 -9.826 -26.029 1.00 42.14 C ATOM 1811 C GLY A 113 -9.103 -9.653 -27.039 1.00 11.51 C ATOM 1812 O GLY A 113 -9.997 -10.494 -27.138 1.00 65.04 O ATOM 0 H GLY A 113 -8.036 -7.830 -25.395 1.00 54.44 H new ATOM 0 HA2 GLY A 113 -7.222 -10.484 -26.445 1.00 42.14 H new ATOM 0 HA3 GLY A 113 -8.377 -10.316 -25.138 1.00 42.14 H new ATOM 1816 N THR A 114 -9.056 -8.557 -27.789 1.00 52.35 N ATOM 1817 CA THR A 114 -10.074 -8.273 -28.794 1.00 24.23 C ATOM 1818 C THR A 114 -9.490 -8.337 -30.201 1.00 62.31 C ATOM 1819 O THR A 114 -10.193 -8.653 -31.160 1.00 43.33 O ATOM 1820 CB THR A 114 -10.708 -6.887 -28.576 1.00 44.11 C ATOM 1821 OG1 THR A 114 -11.783 -6.689 -29.500 1.00 33.32 O ATOM 1822 CG2 THR A 114 -9.673 -5.785 -28.751 1.00 51.01 C ATOM 0 H THR A 114 -8.323 -7.851 -27.720 1.00 52.35 H new ATOM 0 HA THR A 114 -10.844 -9.037 -28.688 1.00 24.23 H new ATOM 0 HB THR A 114 -11.093 -6.844 -27.557 1.00 44.11 H new ATOM 0 HG1 THR A 114 -12.182 -5.806 -29.354 1.00 33.32 H new ATOM 0 HG21 THR A 114 -10.144 -4.815 -28.592 1.00 51.01 H new ATOM 0 HG22 THR A 114 -8.870 -5.921 -28.026 1.00 51.01 H new ATOM 0 HG23 THR A 114 -9.262 -5.828 -29.760 1.00 51.01 H new ATOM 1830 N ALA A 115 -8.200 -8.038 -30.316 1.00 35.33 N ATOM 1831 CA ALA A 115 -7.522 -8.064 -31.606 1.00 75.12 C ATOM 1832 C ALA A 115 -7.643 -9.435 -32.261 1.00 61.44 C ATOM 1833 O ALA A 115 -7.591 -9.555 -33.485 1.00 32.10 O ATOM 1834 CB ALA A 115 -6.058 -7.682 -31.440 1.00 73.40 C ATOM 0 H ALA A 115 -7.604 -7.775 -29.531 1.00 35.33 H new ATOM 0 HA ALA A 115 -8.004 -7.335 -32.258 1.00 75.12 H new ATOM 0 HB1 ALA A 115 -5.563 -7.705 -32.411 1.00 73.40 H new ATOM 0 HB2 ALA A 115 -5.989 -6.678 -31.022 1.00 73.40 H new ATOM 0 HB3 ALA A 115 -5.571 -8.389 -30.768 1.00 73.40 H new ATOM 1840 N GLU A 116 -7.803 -10.468 -31.438 1.00 62.21 N ATOM 1841 CA GLU A 116 -7.928 -11.831 -31.940 1.00 22.13 C ATOM 1842 C GLU A 116 -9.224 -12.473 -31.453 1.00 13.35 C ATOM 1843 O GLU A 116 -9.232 -13.619 -31.000 1.00 41.42 O ATOM 1844 CB GLU A 116 -6.730 -12.674 -31.496 1.00 60.05 C ATOM 1845 CG GLU A 116 -6.586 -12.781 -29.988 1.00 74.12 C ATOM 1846 CD GLU A 116 -5.737 -11.669 -29.403 1.00 13.10 C ATOM 1847 OE1 GLU A 116 -5.317 -10.777 -30.171 1.00 33.22 O ATOM 1848 OE2 GLU A 116 -5.493 -11.689 -28.179 1.00 35.44 O ATOM 0 H GLU A 116 -7.849 -10.386 -30.422 1.00 62.21 H new ATOM 0 HA GLU A 116 -7.950 -11.789 -33.029 1.00 22.13 H new ATOM 0 HB2 GLU A 116 -6.826 -13.676 -31.915 1.00 60.05 H new ATOM 0 HB3 GLU A 116 -5.819 -12.241 -31.910 1.00 60.05 H new ATOM 0 HG2 GLU A 116 -7.575 -12.758 -29.530 1.00 74.12 H new ATOM 0 HG3 GLU A 116 -6.141 -13.744 -29.737 1.00 74.12 H new ATOM 1855 N LYS A 117 -10.319 -11.726 -31.546 1.00 73.24 N ATOM 1856 CA LYS A 117 -11.621 -12.221 -31.116 1.00 13.42 C ATOM 1857 C LYS A 117 -12.736 -11.284 -31.573 1.00 11.33 C ATOM 1858 O LYS A 117 -13.677 -11.013 -30.826 1.00 63.42 O ATOM 1859 CB LYS A 117 -11.657 -12.367 -29.593 1.00 60.44 C ATOM 1860 CG LYS A 117 -12.786 -13.251 -29.094 1.00 32.53 C ATOM 1861 CD LYS A 117 -12.924 -13.178 -27.582 1.00 23.43 C ATOM 1862 CE LYS A 117 -14.370 -12.961 -27.163 1.00 75.31 C ATOM 1863 NZ LYS A 117 -14.647 -11.533 -26.845 1.00 54.35 N ATOM 0 H LYS A 117 -10.330 -10.775 -31.915 1.00 73.24 H new ATOM 0 HA LYS A 117 -11.779 -13.198 -31.572 1.00 13.42 H new ATOM 0 HB2 LYS A 117 -10.707 -12.779 -29.253 1.00 60.44 H new ATOM 0 HB3 LYS A 117 -11.755 -11.379 -29.144 1.00 60.44 H new ATOM 0 HG2 LYS A 117 -13.722 -12.945 -29.561 1.00 32.53 H new ATOM 0 HG3 LYS A 117 -12.602 -14.283 -29.394 1.00 32.53 H new ATOM 0 HD2 LYS A 117 -12.550 -14.100 -27.137 1.00 23.43 H new ATOM 0 HD3 LYS A 117 -12.307 -12.365 -27.198 1.00 23.43 H new ATOM 0 HE2 LYS A 117 -15.033 -13.290 -27.963 1.00 75.31 H new ATOM 0 HE3 LYS A 117 -14.592 -13.577 -26.291 1.00 75.31 H new ATOM 0 HZ1 LYS A 117 -15.643 -11.427 -26.564 1.00 54.35 H new ATOM 0 HZ2 LYS A 117 -14.032 -11.226 -26.065 1.00 54.35 H new ATOM 0 HZ3 LYS A 117 -14.460 -10.948 -27.684 1.00 54.35 H new ATOM 1877 N MET A 118 -12.624 -10.795 -32.803 1.00 54.11 N ATOM 1878 CA MET A 118 -13.625 -9.891 -33.360 1.00 11.14 C ATOM 1879 C MET A 118 -14.991 -10.567 -33.424 1.00 52.34 C ATOM 1880 O MET A 118 -15.101 -11.788 -33.534 1.00 13.24 O ATOM 1881 CB MET A 118 -13.205 -9.427 -34.755 1.00 3.11 C ATOM 1882 CG MET A 118 -12.619 -8.025 -34.779 1.00 45.24 C ATOM 1883 SD MET A 118 -12.787 -7.229 -36.389 1.00 34.25 S ATOM 1884 CE MET A 118 -12.642 -5.504 -35.929 1.00 55.31 C ATOM 0 H MET A 118 -11.851 -11.009 -33.433 1.00 54.11 H new ATOM 0 HA MET A 118 -13.700 -9.023 -32.705 1.00 11.14 H new ATOM 0 HB2 MET A 118 -12.470 -10.126 -35.155 1.00 3.11 H new ATOM 0 HB3 MET A 118 -14.071 -9.461 -35.416 1.00 3.11 H new ATOM 0 HG2 MET A 118 -13.114 -7.415 -34.023 1.00 45.24 H new ATOM 0 HG3 MET A 118 -11.564 -8.072 -34.509 1.00 45.24 H new ATOM 0 HE1 MET A 118 -12.726 -4.882 -36.820 1.00 55.31 H new ATOM 0 HE2 MET A 118 -13.437 -5.246 -35.230 1.00 55.31 H new ATOM 0 HE3 MET A 118 -11.674 -5.333 -35.457 1.00 55.31 H new ATOM 1894 N PRO A 119 -16.058 -9.756 -33.357 1.00 2.12 N ATOM 1895 CA PRO A 119 -17.435 -10.253 -33.407 1.00 23.40 C ATOM 1896 C PRO A 119 -17.808 -10.790 -34.785 1.00 71.32 C ATOM 1897 O PRO A 119 -18.435 -11.842 -34.903 1.00 73.43 O ATOM 1898 CB PRO A 119 -18.271 -9.017 -33.070 1.00 35.35 C ATOM 1899 CG PRO A 119 -17.420 -7.863 -33.472 1.00 52.30 C ATOM 1900 CD PRO A 119 -16.000 -8.290 -33.226 1.00 1.21 C ATOM 0 HA PRO A 119 -17.592 -11.089 -32.725 1.00 23.40 H new ATOM 0 HB2 PRO A 119 -19.217 -9.019 -33.612 1.00 35.35 H new ATOM 0 HB3 PRO A 119 -18.512 -8.980 -32.008 1.00 35.35 H new ATOM 0 HG2 PRO A 119 -17.575 -7.610 -34.521 1.00 52.30 H new ATOM 0 HG3 PRO A 119 -17.667 -6.975 -32.890 1.00 52.30 H new ATOM 0 HD2 PRO A 119 -15.316 -7.848 -33.951 1.00 1.21 H new ATOM 0 HD3 PRO A 119 -15.655 -7.988 -32.237 1.00 1.21 H new ATOM 1908 N SER A 120 -17.417 -10.060 -35.825 1.00 12.30 N ATOM 1909 CA SER A 120 -17.714 -10.461 -37.195 1.00 61.02 C ATOM 1910 C SER A 120 -19.216 -10.631 -37.398 1.00 73.42 C ATOM 1911 O SER A 120 -20.011 -10.374 -36.493 1.00 51.43 O ATOM 1912 CB SER A 120 -16.990 -11.764 -37.535 1.00 62.41 C ATOM 1913 OG SER A 120 -15.622 -11.699 -37.171 1.00 21.01 O ATOM 0 H SER A 120 -16.894 -9.188 -35.745 1.00 12.30 H new ATOM 0 HA SER A 120 -17.363 -9.674 -37.862 1.00 61.02 H new ATOM 0 HB2 SER A 120 -17.468 -12.595 -37.016 1.00 62.41 H new ATOM 0 HB3 SER A 120 -17.076 -11.963 -38.603 1.00 62.41 H new ATOM 0 HG SER A 120 -15.183 -12.545 -37.397 1.00 21.01 H new ATOM 1919 N THR A 121 -19.599 -11.069 -38.593 1.00 41.34 N ATOM 1920 CA THR A 121 -21.005 -11.274 -38.918 1.00 1.33 C ATOM 1921 C THR A 121 -21.372 -12.752 -38.864 1.00 52.23 C ATOM 1922 O THR A 121 -20.673 -13.596 -39.426 1.00 3.54 O ATOM 1923 CB THR A 121 -21.345 -10.722 -40.315 1.00 55.12 C ATOM 1924 OG1 THR A 121 -20.282 -11.013 -41.229 1.00 75.02 O ATOM 1925 CG2 THR A 121 -21.578 -9.219 -40.262 1.00 21.11 C ATOM 0 H THR A 121 -18.955 -11.289 -39.352 1.00 41.34 H new ATOM 0 HA THR A 121 -21.584 -10.732 -38.171 1.00 1.33 H new ATOM 0 HB THR A 121 -22.261 -11.203 -40.658 1.00 55.12 H new ATOM 0 HG1 THR A 121 -20.507 -10.660 -42.115 1.00 75.02 H new ATOM 0 HG21 THR A 121 -21.816 -8.852 -41.260 1.00 21.11 H new ATOM 0 HG22 THR A 121 -22.407 -9.003 -39.588 1.00 21.11 H new ATOM 0 HG23 THR A 121 -20.677 -8.724 -39.899 1.00 21.11 H new ATOM 1933 N SER A 122 -22.473 -13.059 -38.187 1.00 22.44 N ATOM 1934 CA SER A 122 -22.932 -14.438 -38.058 1.00 0.22 C ATOM 1935 C SER A 122 -24.456 -14.506 -38.057 1.00 22.02 C ATOM 1936 O SER A 122 -25.111 -13.985 -37.154 1.00 61.43 O ATOM 1937 CB SER A 122 -22.381 -15.063 -36.775 1.00 65.22 C ATOM 1938 OG SER A 122 -21.196 -14.407 -36.356 1.00 32.21 O ATOM 0 H SER A 122 -23.064 -12.372 -37.719 1.00 22.44 H new ATOM 0 HA SER A 122 -22.562 -15.000 -38.916 1.00 0.22 H new ATOM 0 HB2 SER A 122 -23.131 -15.004 -35.987 1.00 65.22 H new ATOM 0 HB3 SER A 122 -22.176 -16.121 -36.941 1.00 65.22 H new ATOM 0 HG SER A 122 -20.865 -14.824 -35.533 1.00 32.21 H new ATOM 1944 N ARG A 123 -25.013 -15.152 -39.076 1.00 35.35 N ATOM 1945 CA ARG A 123 -26.460 -15.288 -39.194 1.00 43.13 C ATOM 1946 C ARG A 123 -27.029 -16.083 -38.023 1.00 20.01 C ATOM 1947 O ARG A 123 -26.324 -16.837 -37.352 1.00 31.11 O ATOM 1948 CB ARG A 123 -26.823 -15.973 -40.514 1.00 2.13 C ATOM 1949 CG ARG A 123 -26.910 -15.017 -41.692 1.00 1.44 C ATOM 1950 CD ARG A 123 -26.982 -15.766 -43.013 1.00 72.35 C ATOM 1951 NE ARG A 123 -25.783 -15.568 -43.822 1.00 71.02 N ATOM 1952 CZ ARG A 123 -25.477 -14.417 -44.413 1.00 22.32 C ATOM 1953 NH1 ARG A 123 -26.278 -13.368 -44.284 1.00 23.23 N ATOM 1954 NH2 ARG A 123 -24.367 -14.315 -45.133 1.00 12.20 N ATOM 0 H ARG A 123 -24.485 -15.589 -39.831 1.00 35.35 H new ATOM 0 HA ARG A 123 -26.896 -14.289 -39.178 1.00 43.13 H new ATOM 0 HB2 ARG A 123 -26.079 -16.739 -40.733 1.00 2.13 H new ATOM 0 HB3 ARG A 123 -27.780 -16.482 -40.398 1.00 2.13 H new ATOM 0 HG2 ARG A 123 -27.790 -14.383 -41.583 1.00 1.44 H new ATOM 0 HG3 ARG A 123 -26.041 -14.359 -41.693 1.00 1.44 H new ATOM 0 HD2 ARG A 123 -27.116 -16.830 -42.819 1.00 72.35 H new ATOM 0 HD3 ARG A 123 -27.856 -15.431 -43.572 1.00 72.35 H new ATOM 0 HE ARG A 123 -25.145 -16.355 -43.940 1.00 71.02 H new ATOM 0 HH11 ARG A 123 -27.131 -13.443 -43.730 1.00 23.23 H new ATOM 0 HH12 ARG A 123 -26.041 -12.486 -44.738 1.00 23.23 H new ATOM 0 HH21 ARG A 123 -23.748 -15.120 -45.233 1.00 12.20 H new ATOM 0 HH22 ARG A 123 -24.133 -13.432 -45.586 1.00 12.20 H new ATOM 1968 N PRO A 124 -28.335 -15.911 -37.770 1.00 33.42 N ATOM 1969 CA PRO A 124 -29.028 -16.605 -36.679 1.00 51.44 C ATOM 1970 C PRO A 124 -29.175 -18.099 -36.943 1.00 75.20 C ATOM 1971 O PRO A 124 -30.132 -18.536 -37.583 1.00 71.41 O ATOM 1972 CB PRO A 124 -30.401 -15.929 -36.646 1.00 53.14 C ATOM 1973 CG PRO A 124 -30.602 -15.410 -38.029 1.00 23.24 C ATOM 1974 CD PRO A 124 -29.236 -15.029 -38.529 1.00 54.42 C ATOM 0 HA PRO A 124 -28.481 -16.536 -35.739 1.00 51.44 H new ATOM 0 HB2 PRO A 124 -31.184 -16.636 -36.371 1.00 53.14 H new ATOM 0 HB3 PRO A 124 -30.428 -15.123 -35.913 1.00 53.14 H new ATOM 0 HG2 PRO A 124 -31.055 -16.168 -38.669 1.00 23.24 H new ATOM 0 HG3 PRO A 124 -31.272 -14.550 -38.030 1.00 23.24 H new ATOM 0 HD2 PRO A 124 -29.143 -15.188 -39.603 1.00 54.42 H new ATOM 0 HD3 PRO A 124 -29.019 -13.977 -38.343 1.00 54.42 H new ATOM 1982 N THR A 125 -28.221 -18.880 -36.446 1.00 12.24 N ATOM 1983 CA THR A 125 -28.245 -20.326 -36.628 1.00 52.04 C ATOM 1984 C THR A 125 -27.673 -21.043 -35.410 1.00 42.41 C ATOM 1985 O THR A 125 -26.952 -22.031 -35.542 1.00 70.34 O ATOM 1986 CB THR A 125 -27.449 -20.748 -37.878 1.00 53.54 C ATOM 1987 OG1 THR A 125 -26.191 -20.064 -37.911 1.00 64.34 O ATOM 1988 CG2 THR A 125 -28.232 -20.440 -39.147 1.00 4.34 C ATOM 0 H THR A 125 -27.422 -18.535 -35.914 1.00 12.24 H new ATOM 0 HA THR A 125 -29.289 -20.611 -36.757 1.00 52.04 H new ATOM 0 HB THR A 125 -27.277 -21.823 -37.827 1.00 53.54 H new ATOM 0 HG1 THR A 125 -25.690 -20.339 -38.707 1.00 64.34 H new ATOM 0 HG21 THR A 125 -27.651 -20.746 -40.017 1.00 4.34 H new ATOM 0 HG22 THR A 125 -29.177 -20.983 -39.132 1.00 4.34 H new ATOM 0 HG23 THR A 125 -28.430 -19.370 -39.202 1.00 4.34 H new ATOM 1996 N ALA A 126 -28.000 -20.539 -34.225 1.00 42.11 N ATOM 1997 CA ALA A 126 -27.520 -21.134 -32.984 1.00 13.42 C ATOM 1998 C ALA A 126 -28.128 -20.437 -31.771 1.00 12.41 C ATOM 1999 O ALA A 126 -27.486 -19.624 -31.105 1.00 71.13 O ATOM 2000 CB ALA A 126 -26.002 -21.075 -32.922 1.00 43.10 C ATOM 0 H ALA A 126 -28.595 -19.720 -34.098 1.00 42.11 H new ATOM 0 HA ALA A 126 -27.832 -22.178 -32.966 1.00 13.42 H new ATOM 0 HB1 ALA A 126 -25.658 -21.523 -31.990 1.00 43.10 H new ATOM 0 HB2 ALA A 126 -25.582 -21.624 -33.765 1.00 43.10 H new ATOM 0 HB3 ALA A 126 -25.676 -20.036 -32.967 1.00 43.10 H new ATOM 2006 N PRO A 127 -29.396 -20.761 -31.475 1.00 21.22 N ATOM 2007 CA PRO A 127 -30.118 -20.177 -30.341 1.00 73.11 C ATOM 2008 C PRO A 127 -29.578 -20.661 -28.999 1.00 11.50 C ATOM 2009 O PRO A 127 -29.337 -19.863 -28.092 1.00 31.30 O ATOM 2010 CB PRO A 127 -31.554 -20.664 -30.545 1.00 55.23 C ATOM 2011 CG PRO A 127 -31.419 -21.919 -31.337 1.00 34.13 C ATOM 2012 CD PRO A 127 -30.222 -21.722 -32.225 1.00 22.34 C ATOM 0 HA PRO A 127 -30.021 -19.092 -30.312 1.00 73.11 H new ATOM 0 HB2 PRO A 127 -32.049 -20.849 -29.591 1.00 55.23 H new ATOM 0 HB3 PRO A 127 -32.152 -19.923 -31.076 1.00 55.23 H new ATOM 0 HG2 PRO A 127 -31.282 -22.780 -30.683 1.00 34.13 H new ATOM 0 HG3 PRO A 127 -32.316 -22.106 -31.927 1.00 34.13 H new ATOM 0 HD2 PRO A 127 -29.692 -22.658 -32.398 1.00 22.34 H new ATOM 0 HD3 PRO A 127 -30.506 -21.331 -33.202 1.00 22.34 H new ATOM 2020 N SER A 128 -29.389 -21.970 -28.880 1.00 30.20 N ATOM 2021 CA SER A 128 -28.881 -22.561 -27.647 1.00 1.43 C ATOM 2022 C SER A 128 -28.610 -24.051 -27.829 1.00 2.54 C ATOM 2023 O SER A 128 -28.967 -24.638 -28.851 1.00 10.32 O ATOM 2024 CB SER A 128 -29.878 -22.347 -26.506 1.00 3.14 C ATOM 2025 OG SER A 128 -29.346 -21.479 -25.520 1.00 54.22 O ATOM 0 H SER A 128 -29.580 -22.643 -29.622 1.00 30.20 H new ATOM 0 HA SER A 128 -27.942 -22.068 -27.397 1.00 1.43 H new ATOM 0 HB2 SER A 128 -30.804 -21.929 -26.901 1.00 3.14 H new ATOM 0 HB3 SER A 128 -30.129 -23.306 -26.053 1.00 3.14 H new ATOM 0 HG SER A 128 -29.139 -20.611 -25.925 1.00 54.22 H new ATOM 2031 N SER A 129 -27.976 -24.657 -26.830 1.00 1.21 N ATOM 2032 CA SER A 129 -27.653 -26.078 -26.881 1.00 34.15 C ATOM 2033 C SER A 129 -27.895 -26.739 -25.527 1.00 2.23 C ATOM 2034 O SER A 129 -27.226 -27.708 -25.169 1.00 61.35 O ATOM 2035 CB SER A 129 -26.198 -26.277 -27.306 1.00 44.31 C ATOM 2036 OG SER A 129 -25.943 -25.663 -28.557 1.00 10.41 O ATOM 0 H SER A 129 -27.676 -24.186 -25.976 1.00 1.21 H new ATOM 0 HA SER A 129 -28.306 -26.548 -27.617 1.00 34.15 H new ATOM 0 HB2 SER A 129 -25.535 -25.858 -26.550 1.00 44.31 H new ATOM 0 HB3 SER A 129 -25.977 -27.342 -27.369 1.00 44.31 H new ATOM 0 HG SER A 129 -25.005 -25.803 -28.805 1.00 10.41 H new ATOM 2042 N GLU A 130 -28.854 -26.205 -24.777 1.00 70.30 N ATOM 2043 CA GLU A 130 -29.183 -26.742 -23.462 1.00 41.51 C ATOM 2044 C GLU A 130 -27.946 -26.795 -22.571 1.00 40.23 C ATOM 2045 O GLU A 130 -27.211 -27.783 -22.567 1.00 11.24 O ATOM 2046 CB GLU A 130 -29.790 -28.139 -23.594 1.00 23.41 C ATOM 2047 CG GLU A 130 -31.274 -28.131 -23.919 1.00 32.34 C ATOM 2048 CD GLU A 130 -31.574 -28.681 -25.299 1.00 44.42 C ATOM 2049 OE1 GLU A 130 -30.736 -28.493 -26.207 1.00 11.51 O ATOM 2050 OE2 GLU A 130 -32.645 -29.300 -25.473 1.00 44.32 O ATOM 0 H GLU A 130 -29.416 -25.402 -25.057 1.00 70.30 H new ATOM 0 HA GLU A 130 -29.914 -26.079 -23.000 1.00 41.51 H new ATOM 0 HB2 GLU A 130 -29.259 -28.684 -24.374 1.00 23.41 H new ATOM 0 HB3 GLU A 130 -29.634 -28.683 -22.662 1.00 23.41 H new ATOM 0 HG2 GLU A 130 -31.808 -28.720 -23.174 1.00 32.34 H new ATOM 0 HG3 GLU A 130 -31.651 -27.111 -23.849 1.00 32.34 H new ATOM 2057 N LYS A 131 -27.720 -25.723 -21.818 1.00 23.54 N ATOM 2058 CA LYS A 131 -26.573 -25.646 -20.922 1.00 4.01 C ATOM 2059 C LYS A 131 -27.009 -25.267 -19.509 1.00 72.34 C ATOM 2060 O LYS A 131 -28.001 -24.563 -19.325 1.00 1.25 O ATOM 2061 CB LYS A 131 -25.559 -24.625 -21.444 1.00 11.12 C ATOM 2062 CG LYS A 131 -26.173 -23.277 -21.782 1.00 23.25 C ATOM 2063 CD LYS A 131 -25.138 -22.319 -22.349 1.00 61.12 C ATOM 2064 CE LYS A 131 -25.536 -20.869 -22.119 1.00 31.30 C ATOM 2065 NZ LYS A 131 -24.399 -19.938 -22.360 1.00 2.04 N ATOM 0 H LYS A 131 -28.317 -24.896 -21.811 1.00 23.54 H new ATOM 0 HA LYS A 131 -26.105 -26.630 -20.888 1.00 4.01 H new ATOM 0 HB2 LYS A 131 -24.780 -24.483 -20.695 1.00 11.12 H new ATOM 0 HB3 LYS A 131 -25.075 -25.028 -22.334 1.00 11.12 H new ATOM 0 HG2 LYS A 131 -26.978 -23.414 -22.504 1.00 23.25 H new ATOM 0 HG3 LYS A 131 -26.619 -22.844 -20.886 1.00 23.25 H new ATOM 0 HD2 LYS A 131 -24.171 -22.510 -21.884 1.00 61.12 H new ATOM 0 HD3 LYS A 131 -25.020 -22.500 -23.417 1.00 61.12 H new ATOM 0 HE2 LYS A 131 -26.364 -20.610 -22.779 1.00 31.30 H new ATOM 0 HE3 LYS A 131 -25.894 -20.748 -21.097 1.00 31.30 H new ATOM 0 HZ1 LYS A 131 -24.710 -18.960 -22.193 1.00 2.04 H new ATOM 0 HZ2 LYS A 131 -23.618 -20.168 -21.713 1.00 2.04 H new ATOM 0 HZ3 LYS A 131 -24.073 -20.035 -23.343 1.00 2.04 H new ATOM 2079 N GLY A 132 -26.262 -25.739 -18.517 1.00 23.42 N ATOM 2080 CA GLY A 132 -26.587 -25.439 -17.135 1.00 71.54 C ATOM 2081 C GLY A 132 -25.582 -26.023 -16.162 1.00 40.53 C ATOM 2082 O GLY A 132 -24.875 -26.976 -16.487 1.00 2.43 O ATOM 0 H GLY A 132 -25.437 -26.324 -18.645 1.00 23.42 H new ATOM 0 HA2 GLY A 132 -26.631 -24.358 -17.002 1.00 71.54 H new ATOM 0 HA3 GLY A 132 -27.579 -25.829 -16.906 1.00 71.54 H new ATOM 2086 N GLY A 133 -25.517 -25.449 -14.964 1.00 54.31 N ATOM 2087 CA GLY A 133 -24.587 -25.930 -13.961 1.00 4.23 C ATOM 2088 C GLY A 133 -23.190 -25.374 -14.150 1.00 51.33 C ATOM 2089 O GLY A 133 -22.636 -25.429 -15.248 1.00 32.43 O ATOM 0 H GLY A 133 -26.092 -24.659 -14.671 1.00 54.31 H new ATOM 0 HA2 GLY A 133 -24.952 -25.657 -12.971 1.00 4.23 H new ATOM 0 HA3 GLY A 133 -24.549 -27.019 -13.998 1.00 4.23 H new ATOM 2093 N ASN A 134 -22.619 -24.834 -13.078 1.00 41.54 N ATOM 2094 CA ASN A 134 -21.278 -24.263 -13.133 1.00 64.00 C ATOM 2095 C ASN A 134 -20.387 -24.863 -12.050 1.00 43.41 C ATOM 2096 O ASN A 134 -19.442 -24.224 -11.585 1.00 22.21 O ATOM 2097 CB ASN A 134 -21.341 -22.743 -12.972 1.00 52.44 C ATOM 2098 CG ASN A 134 -20.034 -22.067 -13.338 1.00 41.51 C ATOM 2099 OD1 ASN A 134 -19.372 -22.451 -14.303 1.00 71.35 O ATOM 2100 ND2 ASN A 134 -19.655 -21.055 -12.566 1.00 50.32 N ATOM 0 H ASN A 134 -23.064 -24.780 -12.162 1.00 41.54 H new ATOM 0 HA ASN A 134 -20.848 -24.501 -14.106 1.00 64.00 H new ATOM 0 HB2 ASN A 134 -22.140 -22.347 -13.599 1.00 52.44 H new ATOM 0 HB3 ASN A 134 -21.596 -22.500 -11.940 1.00 52.44 H new ATOM 0 HD21 ASN A 134 -18.784 -20.562 -12.763 1.00 50.32 H new ATOM 0 HD22 ASN A 134 -20.235 -20.771 -11.777 1.00 50.32 H new ATOM 2107 N TYR A 135 -20.692 -26.093 -11.655 1.00 31.25 N ATOM 2108 CA TYR A 135 -19.921 -26.780 -10.625 1.00 13.53 C ATOM 2109 C TYR A 135 -19.831 -25.935 -9.357 1.00 42.15 C ATOM 2110 O TYR A 135 -20.726 -25.131 -9.104 1.00 34.21 O ATOM 2111 CB TYR A 135 -18.516 -27.099 -11.139 1.00 1.32 C ATOM 2112 CG TYR A 135 -18.385 -28.488 -11.719 1.00 61.31 C ATOM 2113 CD1 TYR A 135 -18.365 -29.607 -10.895 1.00 3.22 C ATOM 2114 CD2 TYR A 135 -18.279 -28.684 -13.091 1.00 32.13 C ATOM 2115 CE1 TYR A 135 -18.245 -30.880 -11.420 1.00 43.52 C ATOM 2116 CE2 TYR A 135 -18.160 -29.953 -13.624 1.00 53.21 C ATOM 2117 CZ TYR A 135 -18.143 -31.047 -12.785 1.00 41.45 C ATOM 2118 OH TYR A 135 -18.023 -32.312 -13.313 1.00 3.51 O ATOM 0 H TYR A 135 -21.469 -26.636 -12.032 1.00 31.25 H new ATOM 0 HA TYR A 135 -20.433 -27.711 -10.384 1.00 13.53 H new ATOM 0 HB2 TYR A 135 -18.242 -26.369 -11.901 1.00 1.32 H new ATOM 0 HB3 TYR A 135 -17.805 -26.987 -10.321 1.00 1.32 H new ATOM 0 HD1 TYR A 135 -18.445 -29.480 -9.825 1.00 3.22 H new ATOM 0 HD2 TYR A 135 -18.290 -27.830 -13.752 1.00 32.13 H new ATOM 0 HE1 TYR A 135 -18.231 -31.739 -10.765 1.00 43.52 H new ATOM 0 HE2 TYR A 135 -18.081 -30.087 -14.693 1.00 53.21 H new ATOM 0 HH TYR A 135 -17.963 -32.255 -14.289 1.00 3.51 H new TER 2128 TYR A 135 HETATM 2129 C1 MYR A 1 7.142 11.541 0.059 1.00 14.32 C HETATM 2130 O2 MYR A 1 8.084 12.293 -0.189 1.00 53.22 O HETATM 2131 C2 MYR A 1 6.831 10.414 -0.928 1.00 2.43 C HETATM 2132 C3 MYR A 1 7.789 9.204 -0.844 1.00 5.35 C HETATM 2133 C4 MYR A 1 7.542 8.188 -1.974 1.00 30.42 C HETATM 2134 C5 MYR A 1 6.289 7.328 -1.716 1.00 52.24 C HETATM 2135 C6 MYR A 1 6.561 5.827 -1.928 1.00 54.01 C HETATM 2136 C7 MYR A 1 5.618 5.207 -2.978 1.00 62.23 C HETATM 2137 C8 MYR A 1 4.428 4.473 -2.332 1.00 4.44 C HETATM 2138 C9 MYR A 1 3.908 3.320 -3.211 1.00 55.52 C HETATM 2139 C10 MYR A 1 2.466 3.567 -3.705 1.00 4.35 C HETATM 2140 C11 MYR A 1 1.371 3.041 -2.753 1.00 13.41 C HETATM 2141 C12 MYR A 1 1.583 3.417 -1.272 1.00 32.35 C HETATM 2142 C13 MYR A 1 0.374 3.041 -0.397 1.00 33.10 C HETATM 2143 C14 MYR A 1 0.076 1.536 -0.452 1.00 14.12 C HETATM 0 H143 MYR A 1 -0.142 1.246 -1.480 1.00 14.12 H new HETATM 0 H142 MYR A 1 0.943 0.980 -0.094 1.00 14.12 H new HETATM 0 H141 MYR A 1 -0.784 1.312 0.179 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.566 3.336 0.635 1.00 33.10 H new HETATM 0 H131 MYR A 1 -0.502 3.597 -0.730 1.00 33.10 H new HETATM 0 H122 MYR A 1 2.473 2.913 -0.895 1.00 32.35 H new HETATM 0 H121 MYR A 1 1.766 4.489 -1.194 1.00 32.35 H new HETATM 0 H112 MYR A 1 0.406 3.428 -3.079 1.00 13.41 H new HETATM 0 H111 MYR A 1 1.324 1.955 -2.837 1.00 13.41 H new HETATM 0 H102 MYR A 1 2.322 4.638 -3.849 1.00 4.35 H new HETATM 0 H101 MYR A 1 2.342 3.094 -4.679 1.00 4.35 H new HETATM 0 H92 MYR A 1 4.568 3.194 -4.070 1.00 55.52 H new HETATM 0 H91 MYR A 1 3.942 2.390 -2.644 1.00 55.52 H new HETATM 0 H82 MYR A 1 4.730 4.080 -1.361 1.00 4.44 H new HETATM 0 H81 MYR A 1 3.620 5.183 -2.152 1.00 4.44 H new HETATM 0 H72 MYR A 1 5.245 5.991 -3.636 1.00 62.23 H new HETATM 0 H71 MYR A 1 6.179 4.509 -3.600 1.00 62.23 H new HETATM 0 H62 MYR A 1 7.595 5.688 -2.244 1.00 54.01 H new HETATM 0 H61 MYR A 1 6.443 5.301 -0.981 1.00 54.01 H new HETATM 0 H52 MYR A 1 5.941 7.492 -0.696 1.00 52.24 H new HETATM 0 H51 MYR A 1 5.487 7.648 -2.382 1.00 52.24 H new HETATM 0 H42 MYR A 1 7.429 8.718 -2.920 1.00 30.42 H new HETATM 0 H41 MYR A 1 8.412 7.539 -2.074 1.00 30.42 H new HETATM 0 H32 MYR A 1 8.820 9.555 -0.892 1.00 5.35 H new HETATM 0 H31 MYR A 1 7.665 8.710 0.120 1.00 5.35 H new HETATM 0 H22 MYR A 1 5.812 10.067 -0.754 1.00 2.43 H new HETATM 0 H21 MYR A 1 6.862 10.816 -1.941 1.00 2.43 H new HETATM 2171 P1 PBU A 300 9.771 -11.555 2.539 1.00 12.23 P HETATM 2172 P4 PBU A 300 5.108 -16.557 -2.934 1.00 62.41 P HETATM 2173 P5 PBU A 300 8.379 -15.068 -4.289 1.00 34.23 P HETATM 2174 C3' PBU A 300 11.768 -10.937 1.149 1.00 73.32 C HETATM 2175 C2' PBU A 300 11.647 -9.463 0.691 1.00 60.24 C HETATM 2176 O2' PBU A 300 11.193 -9.444 -0.653 1.00 21.43 O HETATM 2177 C1' PBU A 300 13.001 -8.717 0.775 1.00 22.04 C HETATM 2178 O1' PBU A 300 13.842 -9.160 -0.270 1.00 42.32 O HETATM 2179 C1 PBU A 300 8.309 -13.093 0.514 1.00 31.23 C HETATM 2180 O1 PBU A 300 9.520 -12.738 1.387 1.00 65.14 O HETATM 2181 C2 PBU A 300 7.111 -13.764 1.270 1.00 51.03 C HETATM 2182 O2 PBU A 300 7.486 -14.942 1.978 1.00 3.41 O HETATM 2183 C3 PBU A 300 5.973 -14.110 0.283 1.00 14.15 C HETATM 2184 O3 PBU A 300 4.914 -14.724 1.034 1.00 42.22 O HETATM 2185 C4 PBU A 300 6.487 -15.041 -0.882 1.00 0.11 C HETATM 2186 O4 PBU A 300 5.350 -15.314 -1.850 1.00 71.23 O HETATM 2187 C5 PBU A 300 7.688 -14.321 -1.615 1.00 53.30 C HETATM 2188 O5 PBU A 300 8.203 -15.212 -2.656 1.00 71.42 O HETATM 2189 C6 PBU A 300 8.840 -13.954 -0.647 1.00 12.25 C HETATM 2190 O6 PBU A 300 9.875 -13.197 -1.293 1.00 42.23 O HETATM 2191 C7 PBU A 300 9.806 -9.625 -0.876 1.00 10.42 C HETATM 2192 O7 PBU A 300 9.397 -10.630 -1.413 1.00 33.22 O HETATM 2193 C8 PBU A 300 8.812 -8.543 -0.418 1.00 21.11 C HETATM 2194 C9 PBU A 300 7.670 -8.402 -1.442 1.00 24.21 C HETATM 2195 C10 PBU A 300 6.541 -9.389 -1.089 1.00 52.42 C HETATM 2196 C11 PBU A 300 14.893 -10.072 -0.049 1.00 2.44 C HETATM 2197 O11 PBU A 300 14.960 -11.181 -0.544 1.00 43.35 O HETATM 2198 C12 PBU A 300 15.985 -9.600 0.952 1.00 32.13 C HETATM 2199 C13 PBU A 300 16.334 -8.108 0.818 1.00 70.12 C HETATM 2200 C14 PBU A 300 17.858 -7.893 0.814 1.00 34.44 C HETATM 2201 O41 PBU A 300 4.065 -17.349 -2.150 1.00 13.10 O HETATM 2202 O42 PBU A 300 4.588 -15.906 -4.186 1.00 2.34 O HETATM 2203 O43 PBU A 300 6.421 -17.279 -3.193 1.00 40.21 O HETATM 2204 O51 PBU A 300 8.410 -16.530 -4.689 1.00 53.54 O HETATM 2205 O52 PBU A 300 7.165 -14.252 -4.702 1.00 42.52 O HETATM 2206 O53 PBU A 300 9.704 -14.355 -4.433 1.00 22.21 O HETATM 2207 OP1 PBU A 300 11.206 -11.130 2.430 1.00 21.11 O HETATM 2208 OP2 PBU A 300 8.773 -10.465 2.141 1.00 53.11 O HETATM 2209 OP3 PBU A 300 9.530 -12.265 3.845 1.00 4.15 O HETATM 0 H3'2 PBU A 300 11.267 -11.585 0.430 1.00 73.32 H new HETATM 0 H3'1 PBU A 300 12.818 -11.229 1.164 1.00 73.32 H new HETATM 0 H143 PBU A 300 18.281 -8.267 1.747 1.00 34.44 H new HETATM 0 H142 PBU A 300 18.299 -8.430 -0.026 1.00 34.44 H new HETATM 0 H141 PBU A 300 18.075 -6.829 0.718 1.00 34.44 H new HETATM 0 H132 PBU A 300 15.906 -7.713 -0.103 1.00 70.12 H new HETATM 0 H131 PBU A 300 15.887 -7.552 1.642 1.00 70.12 H new HETATM 0 H122 PBU A 300 15.644 -9.796 1.969 1.00 32.13 H new HETATM 0 H121 PBU A 300 16.888 -10.192 0.799 1.00 32.13 H new HETATM 0 H1'2 PBU A 300 12.842 -7.641 0.699 1.00 22.04 H new HETATM 0 H1'1 PBU A 300 13.472 -8.902 1.740 1.00 22.04 H new HETATM 0 H92 PBU A 300 7.289 -7.381 -1.440 1.00 24.21 H new HETATM 0 H91 PBU A 300 8.041 -8.602 -2.447 1.00 24.21 H new HETATM 0 H82 PBU A 300 8.404 -8.803 0.559 1.00 21.11 H new HETATM 0 H81 PBU A 300 9.328 -7.590 -0.304 1.00 21.11 H new HETATM 0 H6 PBU A 300 9.249 -14.899 -0.290 1.00 12.25 H new HETATM 0 H5 PBU A 300 7.310 -13.391 -2.040 1.00 53.30 H new HETATM 0 H4 PBU A 300 6.834 -15.994 -0.483 1.00 0.11 H new HETATM 0 H3 PBU A 300 5.603 -13.205 -0.199 1.00 14.15 H new HETATM 0 H2' PBU A 300 10.945 -8.956 1.353 1.00 60.24 H new HETATM 0 H2 PBU A 300 6.769 -13.033 2.003 1.00 51.03 H new HETATM 0 H13 PBU A 300 6.928 -10.408 -1.113 1.00 52.42 H new HETATM 0 H12 PBU A 300 6.163 -9.168 -0.091 1.00 52.42 H new HETATM 0 H11 PBU A 300 5.732 -9.290 -1.813 1.00 52.42 H new HETATM 0 H1 PBU A 300 7.857 -12.170 0.151 1.00 31.23 H new HETATM 0 H06 PBU A 300 9.574 -12.927 -2.186 1.00 42.23 H new HETATM 0 H03 PBU A 300 4.176 -14.953 0.431 1.00 42.22 H new HETATM 0 H02 PBU A 300 6.689 -15.483 2.158 1.00 3.41 H new