USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1025 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot -58:sc= 1.13 USER MOD Set 1.2: A 83 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 3 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Set 2.2: A 74 LYS NZ :NH3+ -130:sc= -0.26 (180deg=-0.67) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= -0.137 (180deg=-0.531) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 10 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : A 11 THR OG1 : rot -160:sc= -0.273 USER MOD Single : A 13 ASN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.0236 K(o=0.024,f=-0.71) USER MOD Single : A 27 THR OG1 : rot 75:sc= 1.31 USER MOD Single : A 29 SER OG : rot -23:sc= 1.16 USER MOD Single : A 37 LYS NZ :NH3+ -114:sc= -1.54 (180deg=-3.16!) USER MOD Single : A 38 TYR OH : rot -102:sc= -0.0801 USER MOD Single : A 39 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.43) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.4!) USER MOD Single : A 57 SER OG : rot 130:sc= -0.596 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.688) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0928 X(o=-0.093,f=-0.093) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.848 X(o=-0.85,f=-1.3) USER MOD Single : A 79 SER OG : rot -84:sc= 0.687 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.0007) USER MOD Single : A 84 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 87 MET CE :methyl -105:sc= -0.364 (180deg=-1.11) USER MOD Single : A 88 THR OG1 : rot 97:sc= 1.28 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.17) USER MOD Single : A 94 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 96 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.0073) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.118 -8.061 -2.952 1.00 63.22 N ATOM 2 CA MET A 1 1.415 -7.785 -4.200 1.00 21.33 C ATOM 3 C MET A 1 0.406 -6.656 -4.017 1.00 21.03 C ATOM 4 O MET A 1 -0.743 -6.764 -4.445 1.00 3.33 O ATOM 5 CB MET A 1 0.704 -9.045 -4.698 1.00 51.33 C ATOM 6 CG MET A 1 1.655 -10.160 -5.103 1.00 15.33 C ATOM 7 SD MET A 1 0.951 -11.800 -4.846 1.00 13.24 S ATOM 8 CE MET A 1 2.226 -12.563 -3.846 1.00 1.42 C ATOM 0 H1 MET A 1 3.099 -7.722 -3.024 1.00 63.22 H new ATOM 0 H2 MET A 1 1.639 -7.572 -2.169 1.00 63.22 H new ATOM 0 H3 MET A 1 2.118 -9.085 -2.773 1.00 63.22 H new ATOM 0 HA MET A 1 2.150 -7.474 -4.942 1.00 21.33 H new ATOM 0 HB2 MET A 1 0.040 -9.411 -3.915 1.00 51.33 H new ATOM 0 HB3 MET A 1 0.077 -8.785 -5.551 1.00 51.33 H new ATOM 0 HG2 MET A 1 1.920 -10.043 -6.154 1.00 15.33 H new ATOM 0 HG3 MET A 1 2.578 -10.071 -4.530 1.00 15.33 H new ATOM 0 HE1 MET A 1 1.936 -13.585 -3.604 1.00 1.42 H new ATOM 0 HE2 MET A 1 3.165 -12.574 -4.400 1.00 1.42 H new ATOM 0 HE3 MET A 1 2.355 -11.995 -2.925 1.00 1.42 H new ATOM 18 N GLN A 2 0.843 -5.575 -3.379 1.00 24.34 N ATOM 19 CA GLN A 2 -0.023 -4.427 -3.139 1.00 32.41 C ATOM 20 C GLN A 2 -0.185 -3.594 -4.406 1.00 14.12 C ATOM 21 O GLN A 2 -1.275 -3.103 -4.704 1.00 63.51 O ATOM 22 CB GLN A 2 0.543 -3.561 -2.013 1.00 1.51 C ATOM 23 CG GLN A 2 0.246 -4.099 -0.623 1.00 11.34 C ATOM 24 CD GLN A 2 0.947 -3.314 0.469 1.00 71.31 C ATOM 25 OE1 GLN A 2 1.058 -2.090 0.396 1.00 63.20 O ATOM 26 NE2 GLN A 2 1.424 -4.017 1.490 1.00 42.13 N ATOM 0 H GLN A 2 1.792 -5.470 -3.019 1.00 24.34 H new ATOM 0 HA GLN A 2 -1.004 -4.799 -2.843 1.00 32.41 H new ATOM 0 HB2 GLN A 2 1.623 -3.477 -2.138 1.00 1.51 H new ATOM 0 HB3 GLN A 2 0.133 -2.555 -2.099 1.00 1.51 H new ATOM 0 HG2 GLN A 2 -0.830 -4.074 -0.450 1.00 11.34 H new ATOM 0 HG3 GLN A 2 0.553 -5.143 -0.569 1.00 11.34 H new ATOM 0 HE21 GLN A 2 1.309 -5.030 1.509 1.00 42.13 H new ATOM 0 HE22 GLN A 2 1.905 -3.543 2.255 1.00 42.13 H new ATOM 35 N LYS A 3 0.905 -3.437 -5.148 1.00 41.33 N ATOM 36 CA LYS A 3 0.885 -2.663 -6.384 1.00 71.22 C ATOM 37 C LYS A 3 1.468 -3.470 -7.540 1.00 54.23 C ATOM 38 O LYS A 3 1.744 -4.661 -7.402 1.00 50.40 O ATOM 39 CB LYS A 3 1.671 -1.362 -6.209 1.00 23.23 C ATOM 40 CG LYS A 3 1.171 -0.499 -5.064 1.00 13.51 C ATOM 41 CD LYS A 3 0.289 0.634 -5.564 1.00 20.42 C ATOM 42 CE LYS A 3 -0.276 1.451 -4.412 1.00 24.43 C ATOM 43 NZ LYS A 3 -1.663 1.036 -4.066 1.00 15.22 N ATOM 0 H LYS A 3 1.815 -3.836 -4.915 1.00 41.33 H new ATOM 0 HA LYS A 3 -0.153 -2.424 -6.617 1.00 71.22 H new ATOM 0 HB2 LYS A 3 2.721 -1.601 -6.041 1.00 23.23 H new ATOM 0 HB3 LYS A 3 1.619 -0.789 -7.135 1.00 23.23 H new ATOM 0 HG2 LYS A 3 0.610 -1.115 -4.361 1.00 13.51 H new ATOM 0 HG3 LYS A 3 2.021 -0.087 -4.520 1.00 13.51 H new ATOM 0 HD2 LYS A 3 0.867 1.283 -6.222 1.00 20.42 H new ATOM 0 HD3 LYS A 3 -0.529 0.225 -6.157 1.00 20.42 H new ATOM 0 HE2 LYS A 3 0.365 1.338 -3.538 1.00 24.43 H new ATOM 0 HE3 LYS A 3 -0.269 2.508 -4.679 1.00 24.43 H new ATOM 0 HZ1 LYS A 3 -2.006 1.605 -3.266 1.00 15.22 H new ATOM 0 HZ2 LYS A 3 -2.284 1.183 -4.887 1.00 15.22 H new ATOM 0 HZ3 LYS A 3 -1.669 0.030 -3.803 1.00 15.22 H new ATOM 57 N GLY A 4 1.653 -2.812 -8.681 1.00 2.11 N ATOM 58 CA GLY A 4 2.203 -3.484 -9.844 1.00 4.33 C ATOM 59 C GLY A 4 1.127 -4.027 -10.763 1.00 2.51 C ATOM 60 O GLY A 4 1.381 -4.926 -11.565 1.00 42.13 O ATOM 0 H GLY A 4 1.432 -1.826 -8.820 1.00 2.11 H new ATOM 0 HA2 GLY A 4 2.832 -2.788 -10.398 1.00 4.33 H new ATOM 0 HA3 GLY A 4 2.844 -4.303 -9.517 1.00 4.33 H new ATOM 64 N LEU A 5 -0.079 -3.481 -10.646 1.00 25.41 N ATOM 65 CA LEU A 5 -1.199 -3.918 -11.472 1.00 42.43 C ATOM 66 C LEU A 5 -1.949 -2.721 -12.049 1.00 2.15 C ATOM 67 O LEU A 5 -1.803 -1.597 -11.570 1.00 52.30 O ATOM 68 CB LEU A 5 -2.155 -4.787 -10.653 1.00 5.41 C ATOM 69 CG LEU A 5 -1.883 -6.291 -10.679 1.00 74.24 C ATOM 70 CD1 LEU A 5 -1.969 -6.824 -12.101 1.00 73.21 C ATOM 71 CD2 LEU A 5 -0.521 -6.598 -10.074 1.00 75.50 C ATOM 0 H LEU A 5 -0.306 -2.736 -9.988 1.00 25.41 H new ATOM 0 HA LEU A 5 -0.801 -4.507 -12.298 1.00 42.43 H new ATOM 0 HB2 LEU A 5 -2.123 -4.450 -9.617 1.00 5.41 H new ATOM 0 HB3 LEU A 5 -3.169 -4.615 -11.013 1.00 5.41 H new ATOM 0 HG LEU A 5 -2.645 -6.789 -10.079 1.00 74.24 H new ATOM 0 HD11 LEU A 5 -1.773 -7.896 -12.100 1.00 73.21 H new ATOM 0 HD12 LEU A 5 -2.966 -6.638 -12.500 1.00 73.21 H new ATOM 0 HD13 LEU A 5 -1.230 -6.320 -12.724 1.00 73.21 H new ATOM 0 HD21 LEU A 5 -0.345 -7.673 -10.101 1.00 75.50 H new ATOM 0 HD22 LEU A 5 0.254 -6.089 -10.646 1.00 75.50 H new ATOM 0 HD23 LEU A 5 -0.496 -6.252 -9.041 1.00 75.50 H new ATOM 83 N GLU A 6 -2.753 -2.972 -13.077 1.00 64.12 N ATOM 84 CA GLU A 6 -3.526 -1.915 -13.717 1.00 55.20 C ATOM 85 C GLU A 6 -4.924 -1.821 -13.112 1.00 32.12 C ATOM 86 O GLU A 6 -5.652 -2.812 -13.049 1.00 32.23 O ATOM 87 CB GLU A 6 -3.627 -2.166 -15.223 1.00 42.31 C ATOM 88 CG GLU A 6 -2.336 -2.676 -15.842 1.00 54.45 C ATOM 89 CD GLU A 6 -2.401 -4.149 -16.195 1.00 41.13 C ATOM 90 OE1 GLU A 6 -2.669 -4.965 -15.289 1.00 61.34 O ATOM 91 OE2 GLU A 6 -2.183 -4.485 -17.378 1.00 55.04 O ATOM 0 H GLU A 6 -2.886 -3.898 -13.484 1.00 64.12 H new ATOM 0 HA GLU A 6 -3.010 -0.970 -13.547 1.00 55.20 H new ATOM 0 HB2 GLU A 6 -4.421 -2.889 -15.410 1.00 42.31 H new ATOM 0 HB3 GLU A 6 -3.917 -1.240 -15.719 1.00 42.31 H new ATOM 0 HG2 GLU A 6 -2.116 -2.100 -16.741 1.00 54.45 H new ATOM 0 HG3 GLU A 6 -1.513 -2.509 -15.147 1.00 54.45 H new ATOM 98 N ILE A 7 -5.291 -0.624 -12.668 1.00 11.23 N ATOM 99 CA ILE A 7 -6.601 -0.400 -12.068 1.00 63.32 C ATOM 100 C ILE A 7 -7.171 0.952 -12.482 1.00 74.22 C ATOM 101 O ILE A 7 -6.432 1.916 -12.677 1.00 23.15 O ATOM 102 CB ILE A 7 -6.535 -0.468 -10.531 1.00 31.31 C ATOM 103 CG1 ILE A 7 -5.197 0.079 -10.031 1.00 43.31 C ATOM 104 CG2 ILE A 7 -6.739 -1.899 -10.055 1.00 14.32 C ATOM 105 CD1 ILE A 7 -4.113 -0.972 -9.931 1.00 54.41 C ATOM 0 H ILE A 7 -4.700 0.206 -12.712 1.00 11.23 H new ATOM 0 HA ILE A 7 -7.254 -1.193 -12.431 1.00 63.32 H new ATOM 0 HB ILE A 7 -7.334 0.149 -10.120 1.00 31.31 H new ATOM 0 HG12 ILE A 7 -4.864 0.870 -10.702 1.00 43.31 H new ATOM 0 HG13 ILE A 7 -5.343 0.533 -9.051 1.00 43.31 H new ATOM 0 HG21 ILE A 7 -6.690 -1.931 -8.967 1.00 14.32 H new ATOM 0 HG22 ILE A 7 -7.714 -2.257 -10.385 1.00 14.32 H new ATOM 0 HG23 ILE A 7 -5.959 -2.536 -10.472 1.00 14.32 H new ATOM 0 HD11 ILE A 7 -3.193 -0.512 -9.570 1.00 54.41 H new ATOM 0 HD12 ILE A 7 -4.425 -1.752 -9.237 1.00 54.41 H new ATOM 0 HD13 ILE A 7 -3.939 -1.410 -10.914 1.00 54.41 H new ATOM 117 N ALA A 8 -8.492 1.015 -12.614 1.00 14.24 N ATOM 118 CA ALA A 8 -9.163 2.250 -13.000 1.00 52.15 C ATOM 119 C ALA A 8 -10.083 2.747 -11.890 1.00 24.41 C ATOM 120 O ALA A 8 -10.704 1.953 -11.184 1.00 33.45 O ATOM 121 CB ALA A 8 -9.950 2.043 -14.286 1.00 64.04 C ATOM 0 H ALA A 8 -9.119 0.225 -12.459 1.00 14.24 H new ATOM 0 HA ALA A 8 -8.400 3.010 -13.171 1.00 52.15 H new ATOM 0 HB1 ALA A 8 -10.446 2.973 -14.563 1.00 64.04 H new ATOM 0 HB2 ALA A 8 -9.271 1.743 -15.084 1.00 64.04 H new ATOM 0 HB3 ALA A 8 -10.698 1.265 -14.134 1.00 64.04 H new ATOM 127 N PHE A 9 -10.164 4.065 -11.740 1.00 60.43 N ATOM 128 CA PHE A 9 -11.007 4.667 -10.714 1.00 24.11 C ATOM 129 C PHE A 9 -11.891 5.759 -11.308 1.00 73.13 C ATOM 130 O PHE A 9 -11.442 6.556 -12.131 1.00 62.23 O ATOM 131 CB PHE A 9 -10.144 5.248 -9.592 1.00 43.41 C ATOM 132 CG PHE A 9 -10.943 5.856 -8.475 1.00 23.44 C ATOM 133 CD1 PHE A 9 -11.758 5.066 -7.680 1.00 2.14 C ATOM 134 CD2 PHE A 9 -10.878 7.216 -8.219 1.00 32.23 C ATOM 135 CE1 PHE A 9 -12.495 5.623 -6.651 1.00 64.42 C ATOM 136 CE2 PHE A 9 -11.612 7.778 -7.191 1.00 74.13 C ATOM 137 CZ PHE A 9 -12.421 6.980 -6.406 1.00 21.10 C ATOM 0 H PHE A 9 -9.656 4.736 -12.316 1.00 60.43 H new ATOM 0 HA PHE A 9 -11.649 3.888 -10.303 1.00 24.11 H new ATOM 0 HB2 PHE A 9 -9.510 4.460 -9.187 1.00 43.41 H new ATOM 0 HB3 PHE A 9 -9.482 6.007 -10.009 1.00 43.41 H new ATOM 0 HD1 PHE A 9 -11.818 4.004 -7.866 1.00 2.14 H new ATOM 0 HD2 PHE A 9 -10.247 7.844 -8.830 1.00 32.23 H new ATOM 0 HE1 PHE A 9 -13.128 4.997 -6.039 1.00 64.42 H new ATOM 0 HE2 PHE A 9 -11.553 8.840 -7.002 1.00 74.13 H new ATOM 0 HZ PHE A 9 -12.995 7.417 -5.602 1.00 21.10 H new ATOM 147 N GLN A 10 -13.151 5.787 -10.885 1.00 41.31 N ATOM 148 CA GLN A 10 -14.099 6.780 -11.376 1.00 51.04 C ATOM 149 C GLN A 10 -14.201 7.959 -10.414 1.00 20.42 C ATOM 150 O GLN A 10 -13.859 7.844 -9.236 1.00 53.21 O ATOM 151 CB GLN A 10 -15.477 6.146 -11.573 1.00 54.31 C ATOM 152 CG GLN A 10 -15.938 5.311 -10.389 1.00 45.21 C ATOM 153 CD GLN A 10 -17.377 5.589 -10.003 1.00 40.13 C ATOM 154 OE1 GLN A 10 -18.249 5.718 -10.863 1.00 45.45 O ATOM 155 NE2 GLN A 10 -17.634 5.682 -8.704 1.00 14.31 N ATOM 0 H GLN A 10 -13.539 5.134 -10.204 1.00 41.31 H new ATOM 0 HA GLN A 10 -13.736 7.149 -12.335 1.00 51.04 H new ATOM 0 HB2 GLN A 10 -16.207 6.934 -11.757 1.00 54.31 H new ATOM 0 HB3 GLN A 10 -15.455 5.518 -12.463 1.00 54.31 H new ATOM 0 HG2 GLN A 10 -15.829 4.254 -10.631 1.00 45.21 H new ATOM 0 HG3 GLN A 10 -15.292 5.511 -9.535 1.00 45.21 H new ATOM 0 HE21 GLN A 10 -16.881 5.568 -8.026 1.00 14.31 H new ATOM 0 HE22 GLN A 10 -18.585 5.867 -8.384 1.00 14.31 H new ATOM 164 N THR A 11 -14.673 9.093 -10.922 1.00 71.32 N ATOM 165 CA THR A 11 -14.819 10.293 -10.108 1.00 65.05 C ATOM 166 C THR A 11 -15.688 11.331 -10.810 1.00 24.44 C ATOM 167 O THR A 11 -15.641 11.469 -12.032 1.00 44.23 O ATOM 168 CB THR A 11 -13.450 10.921 -9.784 1.00 61.00 C ATOM 169 OG1 THR A 11 -13.629 12.240 -9.256 1.00 21.11 O ATOM 170 CG2 THR A 11 -12.574 10.981 -11.026 1.00 40.23 C ATOM 0 H THR A 11 -14.961 9.205 -11.894 1.00 71.32 H new ATOM 0 HA THR A 11 -15.300 9.989 -9.179 1.00 65.05 H new ATOM 0 HB THR A 11 -12.955 10.296 -9.040 1.00 61.00 H new ATOM 0 HG1 THR A 11 -12.794 12.745 -9.348 1.00 21.11 H new ATOM 0 HG21 THR A 11 -11.613 11.428 -10.772 1.00 40.23 H new ATOM 0 HG22 THR A 11 -12.415 9.973 -11.408 1.00 40.23 H new ATOM 0 HG23 THR A 11 -13.065 11.585 -11.789 1.00 40.23 H new ATOM 178 N ILE A 12 -16.479 12.058 -10.029 1.00 33.45 N ATOM 179 CA ILE A 12 -17.358 13.084 -10.576 1.00 4.24 C ATOM 180 C ILE A 12 -17.266 14.374 -9.767 1.00 61.03 C ATOM 181 O ILE A 12 -16.972 15.438 -10.309 1.00 44.43 O ATOM 182 CB ILE A 12 -18.824 12.613 -10.605 1.00 43.42 C ATOM 183 CG1 ILE A 12 -18.893 11.104 -10.849 1.00 2.42 C ATOM 184 CG2 ILE A 12 -19.600 13.364 -11.677 1.00 4.51 C ATOM 185 CD1 ILE A 12 -18.905 10.287 -9.576 1.00 71.11 C ATOM 0 H ILE A 12 -16.529 11.956 -9.015 1.00 33.45 H new ATOM 0 HA ILE A 12 -17.026 13.273 -11.597 1.00 4.24 H new ATOM 0 HB ILE A 12 -19.278 12.827 -9.638 1.00 43.42 H new ATOM 0 HG12 ILE A 12 -19.790 10.878 -11.425 1.00 2.42 H new ATOM 0 HG13 ILE A 12 -18.040 10.803 -11.457 1.00 2.42 H new ATOM 0 HG21 ILE A 12 -20.634 13.020 -11.685 1.00 4.51 H new ATOM 0 HG22 ILE A 12 -19.574 14.433 -11.463 1.00 4.51 H new ATOM 0 HG23 ILE A 12 -19.148 13.178 -12.651 1.00 4.51 H new ATOM 0 HD11 ILE A 12 -18.955 9.227 -9.825 1.00 71.11 H new ATOM 0 HD12 ILE A 12 -17.996 10.484 -9.008 1.00 71.11 H new ATOM 0 HD13 ILE A 12 -19.773 10.560 -8.976 1.00 71.11 H new ATOM 197 N ASN A 13 -17.518 14.270 -8.467 1.00 34.04 N ATOM 198 CA ASN A 13 -17.463 15.428 -7.582 1.00 50.32 C ATOM 199 C ASN A 13 -17.587 15.004 -6.122 1.00 3.21 C ATOM 200 O ASN A 13 -17.566 13.815 -5.806 1.00 14.51 O ATOM 201 CB ASN A 13 -18.576 16.418 -7.934 1.00 22.15 C ATOM 202 CG ASN A 13 -18.066 17.841 -8.059 1.00 21.41 C ATOM 203 OD1 ASN A 13 -18.432 18.715 -7.273 1.00 74.31 O ATOM 204 ND2 ASN A 13 -17.216 18.079 -9.051 1.00 2.11 N ATOM 0 H ASN A 13 -17.762 13.396 -8.002 1.00 34.04 H new ATOM 0 HA ASN A 13 -16.497 15.913 -7.719 1.00 50.32 H new ATOM 0 HB2 ASN A 13 -19.042 16.118 -8.873 1.00 22.15 H new ATOM 0 HB3 ASN A 13 -19.350 16.378 -7.167 1.00 22.15 H new ATOM 0 HD21 ASN A 13 -16.839 19.017 -9.185 1.00 2.11 H new ATOM 0 HD22 ASN A 13 -16.940 17.324 -9.679 1.00 2.11 H new ATOM 211 N GLY A 14 -17.716 15.986 -5.235 1.00 5.42 N ATOM 212 CA GLY A 14 -17.841 15.695 -3.819 1.00 12.13 C ATOM 213 C GLY A 14 -16.501 15.435 -3.159 1.00 74.32 C ATOM 214 O GLY A 14 -15.780 16.370 -2.810 1.00 52.44 O ATOM 0 H GLY A 14 -17.736 16.978 -5.472 1.00 5.42 H new ATOM 0 HA2 GLY A 14 -18.331 16.532 -3.321 1.00 12.13 H new ATOM 0 HA3 GLY A 14 -18.483 14.824 -3.686 1.00 12.13 H new ATOM 218 N LEU A 15 -16.167 14.161 -2.986 1.00 21.22 N ATOM 219 CA LEU A 15 -14.905 13.779 -2.362 1.00 3.33 C ATOM 220 C LEU A 15 -14.016 13.027 -3.347 1.00 21.54 C ATOM 221 O LEU A 15 -12.811 12.890 -3.132 1.00 34.32 O ATOM 222 CB LEU A 15 -15.164 12.914 -1.127 1.00 55.03 C ATOM 223 CG LEU A 15 -16.432 13.237 -0.336 1.00 11.33 C ATOM 224 CD1 LEU A 15 -16.504 12.391 0.926 1.00 71.23 C ATOM 225 CD2 LEU A 15 -16.482 14.718 0.010 1.00 3.42 C ATOM 0 H LEU A 15 -16.752 13.375 -3.269 1.00 21.22 H new ATOM 0 HA LEU A 15 -14.389 14.690 -2.058 1.00 3.33 H new ATOM 0 HB2 LEU A 15 -15.212 11.871 -1.442 1.00 55.03 H new ATOM 0 HB3 LEU A 15 -14.309 13.006 -0.458 1.00 55.03 H new ATOM 0 HG LEU A 15 -17.295 13.000 -0.958 1.00 11.33 H new ATOM 0 HD11 LEU A 15 -17.413 12.635 1.476 1.00 71.23 H new ATOM 0 HD12 LEU A 15 -16.515 11.335 0.656 1.00 71.23 H new ATOM 0 HD13 LEU A 15 -15.635 12.596 1.552 1.00 71.23 H new ATOM 0 HD21 LEU A 15 -17.391 14.930 0.573 1.00 3.42 H new ATOM 0 HD22 LEU A 15 -15.613 14.980 0.613 1.00 3.42 H new ATOM 0 HD23 LEU A 15 -16.478 15.306 -0.908 1.00 3.42 H new ATOM 237 N ASP A 16 -14.618 12.542 -4.427 1.00 45.45 N ATOM 238 CA ASP A 16 -13.880 11.806 -5.448 1.00 12.22 C ATOM 239 C ASP A 16 -12.686 12.615 -5.945 1.00 23.35 C ATOM 240 O ASP A 16 -11.563 12.114 -5.992 1.00 44.21 O ATOM 241 CB ASP A 16 -14.799 11.458 -6.620 1.00 10.01 C ATOM 242 CG ASP A 16 -16.134 10.903 -6.164 1.00 12.21 C ATOM 243 OD1 ASP A 16 -16.201 10.368 -5.037 1.00 52.12 O ATOM 244 OD2 ASP A 16 -17.112 11.005 -6.933 1.00 74.01 O ATOM 0 H ASP A 16 -15.615 12.645 -4.619 1.00 45.45 H new ATOM 0 HA ASP A 16 -13.510 10.884 -5.000 1.00 12.22 H new ATOM 0 HB2 ASP A 16 -14.967 12.350 -7.224 1.00 10.01 H new ATOM 0 HB3 ASP A 16 -14.305 10.728 -7.261 1.00 10.01 H new ATOM 249 N GLU A 17 -12.937 13.867 -6.314 1.00 73.43 N ATOM 250 CA GLU A 17 -11.882 14.743 -6.809 1.00 72.13 C ATOM 251 C GLU A 17 -10.706 14.780 -5.838 1.00 42.40 C ATOM 252 O GLU A 17 -9.551 14.638 -6.239 1.00 42.45 O ATOM 253 CB GLU A 17 -12.424 16.157 -7.027 1.00 4.54 C ATOM 254 CG GLU A 17 -13.576 16.223 -8.015 1.00 44.12 C ATOM 255 CD GLU A 17 -13.114 16.129 -9.456 1.00 43.14 C ATOM 256 OE1 GLU A 17 -11.955 16.505 -9.733 1.00 53.32 O ATOM 257 OE2 GLU A 17 -13.910 15.680 -10.307 1.00 63.01 O ATOM 0 H GLU A 17 -13.861 14.297 -6.280 1.00 73.43 H new ATOM 0 HA GLU A 17 -11.531 14.346 -7.761 1.00 72.13 H new ATOM 0 HB2 GLU A 17 -12.754 16.562 -6.070 1.00 4.54 H new ATOM 0 HB3 GLU A 17 -11.615 16.796 -7.382 1.00 4.54 H new ATOM 0 HG2 GLU A 17 -14.275 15.412 -7.808 1.00 44.12 H new ATOM 0 HG3 GLU A 17 -14.120 17.157 -7.872 1.00 44.12 H new ATOM 264 N SER A 18 -11.009 14.973 -4.558 1.00 45.22 N ATOM 265 CA SER A 18 -9.977 15.034 -3.529 1.00 41.14 C ATOM 266 C SER A 18 -9.170 13.740 -3.492 1.00 63.13 C ATOM 267 O SER A 18 -7.944 13.762 -3.375 1.00 2.14 O ATOM 268 CB SER A 18 -10.607 15.295 -2.160 1.00 72.20 C ATOM 269 OG SER A 18 -11.017 14.084 -1.548 1.00 61.03 O ATOM 0 H SER A 18 -11.960 15.090 -4.209 1.00 45.22 H new ATOM 0 HA SER A 18 -9.303 15.855 -3.773 1.00 41.14 H new ATOM 0 HB2 SER A 18 -9.890 15.806 -1.518 1.00 72.20 H new ATOM 0 HB3 SER A 18 -11.465 15.958 -2.271 1.00 72.20 H new ATOM 0 HG SER A 18 -11.652 13.621 -2.133 1.00 61.03 H new ATOM 275 N LEU A 19 -9.866 12.613 -3.593 1.00 41.13 N ATOM 276 CA LEU A 19 -9.215 11.307 -3.572 1.00 15.44 C ATOM 277 C LEU A 19 -8.374 11.097 -4.826 1.00 53.05 C ATOM 278 O LEU A 19 -7.307 10.485 -4.776 1.00 52.30 O ATOM 279 CB LEU A 19 -10.261 10.197 -3.452 1.00 62.04 C ATOM 280 CG LEU A 19 -9.718 8.770 -3.371 1.00 23.14 C ATOM 281 CD1 LEU A 19 -9.444 8.222 -4.763 1.00 1.43 C ATOM 282 CD2 LEU A 19 -8.456 8.727 -2.521 1.00 41.40 C ATOM 0 H LEU A 19 -10.881 12.577 -3.690 1.00 41.13 H new ATOM 0 HA LEU A 19 -8.555 11.271 -2.706 1.00 15.44 H new ATOM 0 HB2 LEU A 19 -10.863 10.387 -2.563 1.00 62.04 H new ATOM 0 HB3 LEU A 19 -10.930 10.262 -4.310 1.00 62.04 H new ATOM 0 HG LEU A 19 -10.473 8.142 -2.898 1.00 23.14 H new ATOM 0 HD11 LEU A 19 -9.058 7.206 -4.684 1.00 1.43 H new ATOM 0 HD12 LEU A 19 -10.369 8.216 -5.340 1.00 1.43 H new ATOM 0 HD13 LEU A 19 -8.708 8.852 -5.264 1.00 1.43 H new ATOM 0 HD21 LEU A 19 -8.083 7.704 -2.474 1.00 41.40 H new ATOM 0 HD22 LEU A 19 -7.696 9.370 -2.965 1.00 41.40 H new ATOM 0 HD23 LEU A 19 -8.684 9.077 -1.514 1.00 41.40 H new ATOM 294 N VAL A 20 -8.861 11.610 -5.952 1.00 12.10 N ATOM 295 CA VAL A 20 -8.153 11.482 -7.220 1.00 21.41 C ATOM 296 C VAL A 20 -6.819 12.218 -7.181 1.00 41.43 C ATOM 297 O VAL A 20 -5.770 11.637 -7.459 1.00 11.35 O ATOM 298 CB VAL A 20 -8.994 12.026 -8.390 1.00 63.41 C ATOM 299 CG1 VAL A 20 -8.219 11.928 -9.695 1.00 44.43 C ATOM 300 CG2 VAL A 20 -10.315 11.279 -8.488 1.00 74.24 C ATOM 0 H VAL A 20 -9.743 12.118 -6.011 1.00 12.10 H new ATOM 0 HA VAL A 20 -7.973 10.418 -7.376 1.00 21.41 H new ATOM 0 HB VAL A 20 -9.210 13.078 -8.202 1.00 63.41 H new ATOM 0 HG11 VAL A 20 -8.829 12.317 -10.510 1.00 44.43 H new ATOM 0 HG12 VAL A 20 -7.301 12.511 -9.618 1.00 44.43 H new ATOM 0 HG13 VAL A 20 -7.970 10.885 -9.893 1.00 44.43 H new ATOM 0 HG21 VAL A 20 -10.897 11.676 -9.320 1.00 74.24 H new ATOM 0 HG22 VAL A 20 -10.122 10.219 -8.653 1.00 74.24 H new ATOM 0 HG23 VAL A 20 -10.874 11.406 -7.561 1.00 74.24 H new ATOM 310 N GLN A 21 -6.867 13.501 -6.835 1.00 72.31 N ATOM 311 CA GLN A 21 -5.661 14.317 -6.760 1.00 54.24 C ATOM 312 C GLN A 21 -4.723 13.804 -5.673 1.00 61.03 C ATOM 313 O GLN A 21 -3.512 13.718 -5.875 1.00 50.10 O ATOM 314 CB GLN A 21 -6.025 15.778 -6.489 1.00 33.13 C ATOM 315 CG GLN A 21 -6.923 16.389 -7.552 1.00 52.22 C ATOM 316 CD GLN A 21 -6.139 16.999 -8.698 1.00 34.32 C ATOM 317 OE1 GLN A 21 -5.422 16.301 -9.415 1.00 23.21 O ATOM 318 NE2 GLN A 21 -6.273 18.308 -8.876 1.00 61.24 N ATOM 0 H GLN A 21 -7.727 13.997 -6.602 1.00 72.31 H new ATOM 0 HA GLN A 21 -5.147 14.250 -7.719 1.00 54.24 H new ATOM 0 HB2 GLN A 21 -6.523 15.846 -5.522 1.00 33.13 H new ATOM 0 HB3 GLN A 21 -5.109 16.365 -6.418 1.00 33.13 H new ATOM 0 HG2 GLN A 21 -7.592 15.622 -7.942 1.00 52.22 H new ATOM 0 HG3 GLN A 21 -7.549 17.156 -7.096 1.00 52.22 H new ATOM 0 HE21 GLN A 21 -6.878 18.847 -8.257 1.00 61.24 H new ATOM 0 HE22 GLN A 21 -5.770 18.774 -9.631 1.00 61.24 H new ATOM 327 N ALA A 22 -5.290 13.464 -4.521 1.00 13.55 N ATOM 328 CA ALA A 22 -4.504 12.958 -3.402 1.00 54.22 C ATOM 329 C ALA A 22 -3.764 11.681 -3.785 1.00 35.12 C ATOM 330 O ALA A 22 -2.551 11.576 -3.602 1.00 21.43 O ATOM 331 CB ALA A 22 -5.400 12.711 -2.197 1.00 62.11 C ATOM 0 H ALA A 22 -6.291 13.530 -4.338 1.00 13.55 H new ATOM 0 HA ALA A 22 -3.762 13.712 -3.140 1.00 54.22 H new ATOM 0 HB1 ALA A 22 -4.800 12.333 -1.369 1.00 62.11 H new ATOM 0 HB2 ALA A 22 -5.879 13.645 -1.902 1.00 62.11 H new ATOM 0 HB3 ALA A 22 -6.164 11.978 -2.456 1.00 62.11 H new ATOM 337 N LEU A 23 -4.502 10.712 -4.316 1.00 40.22 N ATOM 338 CA LEU A 23 -3.915 9.440 -4.724 1.00 55.45 C ATOM 339 C LEU A 23 -2.933 9.638 -5.874 1.00 43.11 C ATOM 340 O LEU A 23 -1.948 8.909 -5.995 1.00 15.34 O ATOM 341 CB LEU A 23 -5.014 8.460 -5.140 1.00 65.10 C ATOM 342 CG LEU A 23 -5.385 8.458 -6.623 1.00 75.02 C ATOM 343 CD1 LEU A 23 -4.479 7.515 -7.400 1.00 13.24 C ATOM 344 CD2 LEU A 23 -6.845 8.069 -6.806 1.00 52.05 C ATOM 0 H LEU A 23 -5.507 10.783 -4.474 1.00 40.22 H new ATOM 0 HA LEU A 23 -3.372 9.028 -3.873 1.00 55.45 H new ATOM 0 HB2 LEU A 23 -4.699 7.454 -4.863 1.00 65.10 H new ATOM 0 HB3 LEU A 23 -5.911 8.684 -4.562 1.00 65.10 H new ATOM 0 HG LEU A 23 -5.246 9.466 -7.014 1.00 75.02 H new ATOM 0 HD11 LEU A 23 -4.759 7.527 -8.453 1.00 13.24 H new ATOM 0 HD12 LEU A 23 -3.443 7.838 -7.296 1.00 13.24 H new ATOM 0 HD13 LEU A 23 -4.585 6.503 -7.008 1.00 13.24 H new ATOM 0 HD21 LEU A 23 -7.092 8.073 -7.868 1.00 52.05 H new ATOM 0 HD22 LEU A 23 -7.010 7.072 -6.399 1.00 52.05 H new ATOM 0 HD23 LEU A 23 -7.480 8.784 -6.283 1.00 52.05 H new ATOM 356 N ALA A 24 -3.206 10.630 -6.715 1.00 42.13 N ATOM 357 CA ALA A 24 -2.344 10.927 -7.853 1.00 24.55 C ATOM 358 C ALA A 24 -0.967 11.394 -7.391 1.00 15.20 C ATOM 359 O ALA A 24 0.057 10.893 -7.853 1.00 35.31 O ATOM 360 CB ALA A 24 -2.989 11.977 -8.744 1.00 44.31 C ATOM 0 H ALA A 24 -4.018 11.242 -6.630 1.00 42.13 H new ATOM 0 HA ALA A 24 -2.214 10.010 -8.428 1.00 24.55 H new ATOM 0 HB1 ALA A 24 -2.334 12.189 -9.589 1.00 44.31 H new ATOM 0 HB2 ALA A 24 -3.946 11.605 -9.110 1.00 44.31 H new ATOM 0 HB3 ALA A 24 -3.150 12.891 -8.172 1.00 44.31 H new ATOM 366 N GLY A 25 -0.951 12.359 -6.477 1.00 12.45 N ATOM 367 CA GLY A 25 0.305 12.879 -5.969 1.00 30.04 C ATOM 368 C GLY A 25 1.053 11.866 -5.125 1.00 33.21 C ATOM 369 O GLY A 25 2.251 11.654 -5.312 1.00 72.05 O ATOM 0 H GLY A 25 -1.785 12.790 -6.079 1.00 12.45 H new ATOM 0 HA2 GLY A 25 0.933 13.185 -6.806 1.00 30.04 H new ATOM 0 HA3 GLY A 25 0.111 13.771 -5.373 1.00 30.04 H new ATOM 373 N VAL A 26 0.345 11.238 -4.191 1.00 0.32 N ATOM 374 CA VAL A 26 0.949 10.242 -3.314 1.00 43.12 C ATOM 375 C VAL A 26 1.543 9.091 -4.118 1.00 31.30 C ATOM 376 O VAL A 26 2.704 8.724 -3.935 1.00 3.12 O ATOM 377 CB VAL A 26 -0.077 9.679 -2.313 1.00 1.31 C ATOM 378 CG1 VAL A 26 0.552 8.588 -1.460 1.00 70.13 C ATOM 379 CG2 VAL A 26 -0.636 10.793 -1.441 1.00 3.34 C ATOM 0 H VAL A 26 -0.648 11.402 -4.022 1.00 0.32 H new ATOM 0 HA VAL A 26 1.744 10.745 -2.763 1.00 43.12 H new ATOM 0 HB VAL A 26 -0.902 9.238 -2.873 1.00 1.31 H new ATOM 0 HG11 VAL A 26 -0.188 8.202 -0.759 1.00 70.13 H new ATOM 0 HG12 VAL A 26 0.900 7.779 -2.102 1.00 70.13 H new ATOM 0 HG13 VAL A 26 1.396 9.000 -0.907 1.00 70.13 H new ATOM 0 HG21 VAL A 26 -1.359 10.378 -0.739 1.00 3.34 H new ATOM 0 HG22 VAL A 26 0.176 11.265 -0.888 1.00 3.34 H new ATOM 0 HG23 VAL A 26 -1.126 11.536 -2.070 1.00 3.34 H new ATOM 389 N THR A 27 0.738 8.523 -5.011 1.00 22.52 N ATOM 390 CA THR A 27 1.183 7.412 -5.843 1.00 60.10 C ATOM 391 C THR A 27 2.354 7.823 -6.728 1.00 23.51 C ATOM 392 O THR A 27 3.410 7.191 -6.709 1.00 23.14 O ATOM 393 CB THR A 27 0.042 6.885 -6.733 1.00 72.23 C ATOM 394 OG1 THR A 27 -1.064 6.475 -5.921 1.00 22.21 O ATOM 395 CG2 THR A 27 0.515 5.715 -7.583 1.00 34.10 C ATOM 0 H THR A 27 -0.225 8.814 -5.176 1.00 22.52 H new ATOM 0 HA THR A 27 1.503 6.619 -5.167 1.00 60.10 H new ATOM 0 HB THR A 27 -0.274 7.691 -7.396 1.00 72.23 H new ATOM 0 HG1 THR A 27 -1.538 7.266 -5.591 1.00 22.21 H new ATOM 0 HG21 THR A 27 -0.308 5.360 -8.203 1.00 34.10 H new ATOM 0 HG22 THR A 27 1.337 6.038 -8.221 1.00 34.10 H new ATOM 0 HG23 THR A 27 0.855 4.908 -6.934 1.00 34.10 H new ATOM 403 N ALA A 28 2.161 8.885 -7.503 1.00 33.14 N ATOM 404 CA ALA A 28 3.203 9.381 -8.393 1.00 13.43 C ATOM 405 C ALA A 28 4.474 9.714 -7.618 1.00 54.24 C ATOM 406 O ALA A 28 5.583 9.495 -8.104 1.00 41.13 O ATOM 407 CB ALA A 28 2.710 10.604 -9.152 1.00 54.12 C ATOM 0 H ALA A 28 1.292 9.419 -7.532 1.00 33.14 H new ATOM 0 HA ALA A 28 3.441 8.594 -9.109 1.00 13.43 H new ATOM 0 HB1 ALA A 28 3.498 10.964 -9.813 1.00 54.12 H new ATOM 0 HB2 ALA A 28 1.834 10.337 -9.744 1.00 54.12 H new ATOM 0 HB3 ALA A 28 2.444 11.389 -8.444 1.00 54.12 H new ATOM 413 N SER A 29 4.304 10.245 -6.412 1.00 11.22 N ATOM 414 CA SER A 29 5.438 10.613 -5.572 1.00 31.30 C ATOM 415 C SER A 29 6.092 9.373 -4.970 1.00 64.11 C ATOM 416 O SER A 29 7.297 9.354 -4.718 1.00 64.34 O ATOM 417 CB SER A 29 4.988 11.558 -4.457 1.00 4.44 C ATOM 418 OG SER A 29 4.196 10.878 -3.499 1.00 74.44 O ATOM 0 H SER A 29 3.392 10.430 -5.994 1.00 11.22 H new ATOM 0 HA SER A 29 6.171 11.123 -6.197 1.00 31.30 H new ATOM 0 HB2 SER A 29 5.861 11.992 -3.969 1.00 4.44 H new ATOM 0 HB3 SER A 29 4.419 12.384 -4.884 1.00 4.44 H new ATOM 0 HG SER A 29 3.799 10.081 -3.909 1.00 74.44 H new ATOM 424 N ASP A 30 5.289 8.340 -4.742 1.00 23.41 N ATOM 425 CA ASP A 30 5.789 7.094 -4.171 1.00 10.45 C ATOM 426 C ASP A 30 6.434 6.224 -5.244 1.00 42.15 C ATOM 427 O ASP A 30 7.178 5.292 -4.939 1.00 31.23 O ATOM 428 CB ASP A 30 4.653 6.329 -3.490 1.00 61.43 C ATOM 429 CG ASP A 30 4.434 6.771 -2.057 1.00 14.20 C ATOM 430 OD1 ASP A 30 4.358 7.995 -1.818 1.00 73.14 O ATOM 431 OD2 ASP A 30 4.337 5.894 -1.174 1.00 34.21 O ATOM 0 H ASP A 30 4.289 8.340 -4.944 1.00 23.41 H new ATOM 0 HA ASP A 30 6.547 7.342 -3.428 1.00 10.45 H new ATOM 0 HB2 ASP A 30 3.732 6.472 -4.056 1.00 61.43 H new ATOM 0 HB3 ASP A 30 4.876 5.262 -3.508 1.00 61.43 H new ATOM 436 N PHE A 31 6.144 6.534 -6.504 1.00 14.24 N ATOM 437 CA PHE A 31 6.694 5.779 -7.623 1.00 54.13 C ATOM 438 C PHE A 31 7.459 6.695 -8.573 1.00 43.43 C ATOM 439 O PHE A 31 7.137 6.815 -9.756 1.00 22.34 O ATOM 440 CB PHE A 31 5.575 5.061 -8.381 1.00 14.14 C ATOM 441 CG PHE A 31 4.832 4.058 -7.544 1.00 43.42 C ATOM 442 CD1 PHE A 31 5.510 3.244 -6.651 1.00 51.13 C ATOM 443 CD2 PHE A 31 3.457 3.930 -7.651 1.00 72.14 C ATOM 444 CE1 PHE A 31 4.830 2.321 -5.880 1.00 32.51 C ATOM 445 CE2 PHE A 31 2.771 3.009 -6.882 1.00 64.43 C ATOM 446 CZ PHE A 31 3.459 2.202 -5.996 1.00 52.14 C ATOM 0 H PHE A 31 5.531 7.303 -6.775 1.00 14.24 H new ATOM 0 HA PHE A 31 7.386 5.038 -7.223 1.00 54.13 H new ATOM 0 HB2 PHE A 31 4.870 5.801 -8.758 1.00 14.14 H new ATOM 0 HB3 PHE A 31 6.000 4.555 -9.248 1.00 14.14 H new ATOM 0 HD1 PHE A 31 6.582 3.332 -6.557 1.00 51.13 H new ATOM 0 HD2 PHE A 31 2.915 4.557 -8.343 1.00 72.14 H new ATOM 0 HE1 PHE A 31 5.370 1.693 -5.187 1.00 32.51 H new ATOM 0 HE2 PHE A 31 1.699 2.920 -6.973 1.00 64.43 H new ATOM 0 HZ PHE A 31 2.926 1.480 -5.396 1.00 52.14 H new ATOM 456 N PRO A 32 8.498 7.359 -8.045 1.00 41.50 N ATOM 457 CA PRO A 32 9.332 8.277 -8.827 1.00 73.15 C ATOM 458 C PRO A 32 10.194 7.546 -9.852 1.00 15.53 C ATOM 459 O PRO A 32 10.366 8.013 -10.978 1.00 13.11 O ATOM 460 CB PRO A 32 10.211 8.947 -7.769 1.00 44.11 C ATOM 461 CG PRO A 32 10.269 7.967 -6.649 1.00 21.04 C ATOM 462 CD PRO A 32 8.939 7.265 -6.643 1.00 41.42 C ATOM 0 HA PRO A 32 8.733 8.978 -9.408 1.00 73.15 H new ATOM 0 HB2 PRO A 32 11.206 9.162 -8.159 1.00 44.11 H new ATOM 0 HB3 PRO A 32 9.785 9.896 -7.443 1.00 44.11 H new ATOM 0 HG2 PRO A 32 11.084 7.258 -6.793 1.00 21.04 H new ATOM 0 HG3 PRO A 32 10.449 8.470 -5.699 1.00 21.04 H new ATOM 0 HD2 PRO A 32 9.033 6.228 -6.320 1.00 41.42 H new ATOM 0 HD3 PRO A 32 8.233 7.747 -5.966 1.00 41.42 H new ATOM 470 N ASP A 33 10.732 6.399 -9.454 1.00 3.21 N ATOM 471 CA ASP A 33 11.575 5.603 -10.338 1.00 44.24 C ATOM 472 C ASP A 33 10.812 4.396 -10.875 1.00 44.45 C ATOM 473 O ASP A 33 11.263 3.728 -11.807 1.00 53.01 O ATOM 474 CB ASP A 33 12.832 5.140 -9.600 1.00 1.33 C ATOM 475 CG ASP A 33 13.451 6.243 -8.763 1.00 63.24 C ATOM 476 OD1 ASP A 33 13.931 7.235 -9.351 1.00 10.32 O ATOM 477 OD2 ASP A 33 13.456 6.114 -7.522 1.00 34.35 O ATOM 0 H ASP A 33 10.599 5.999 -8.525 1.00 3.21 H new ATOM 0 HA ASP A 33 11.868 6.229 -11.180 1.00 44.24 H new ATOM 0 HB2 ASP A 33 12.582 4.296 -8.957 1.00 1.33 H new ATOM 0 HB3 ASP A 33 13.564 4.783 -10.324 1.00 1.33 H new ATOM 482 N LEU A 34 9.656 4.122 -10.282 1.00 21.01 N ATOM 483 CA LEU A 34 8.830 2.994 -10.700 1.00 2.42 C ATOM 484 C LEU A 34 8.175 3.270 -12.049 1.00 52.13 C ATOM 485 O LEU A 34 7.562 2.384 -12.645 1.00 51.34 O ATOM 486 CB LEU A 34 7.757 2.705 -9.648 1.00 43.55 C ATOM 487 CG LEU A 34 7.978 1.460 -8.789 1.00 74.13 C ATOM 488 CD1 LEU A 34 8.513 1.845 -7.419 1.00 33.42 C ATOM 489 CD2 LEU A 34 6.685 0.668 -8.656 1.00 52.32 C ATOM 0 H LEU A 34 9.269 4.665 -9.510 1.00 21.01 H new ATOM 0 HA LEU A 34 9.474 2.121 -10.802 1.00 2.42 H new ATOM 0 HB2 LEU A 34 7.682 3.569 -8.988 1.00 43.55 H new ATOM 0 HB3 LEU A 34 6.797 2.607 -10.155 1.00 43.55 H new ATOM 0 HG LEU A 34 8.718 0.829 -9.281 1.00 74.13 H new ATOM 0 HD11 LEU A 34 8.664 0.946 -6.822 1.00 33.42 H new ATOM 0 HD12 LEU A 34 9.462 2.369 -7.533 1.00 33.42 H new ATOM 0 HD13 LEU A 34 7.797 2.497 -6.919 1.00 33.42 H new ATOM 0 HD21 LEU A 34 6.861 -0.215 -8.041 1.00 52.32 H new ATOM 0 HD22 LEU A 34 5.923 1.291 -8.187 1.00 52.32 H new ATOM 0 HD23 LEU A 34 6.344 0.360 -9.644 1.00 52.32 H new ATOM 501 N ASP A 35 8.310 4.503 -12.526 1.00 21.31 N ATOM 502 CA ASP A 35 7.734 4.895 -13.807 1.00 21.40 C ATOM 503 C ASP A 35 6.278 4.452 -13.906 1.00 73.42 C ATOM 504 O ASP A 35 5.940 3.566 -14.692 1.00 65.14 O ATOM 505 CB ASP A 35 8.542 4.295 -14.959 1.00 22.44 C ATOM 506 CG ASP A 35 9.601 5.246 -15.480 1.00 52.24 C ATOM 507 OD1 ASP A 35 9.248 6.392 -15.830 1.00 43.24 O ATOM 508 OD2 ASP A 35 10.782 4.845 -15.538 1.00 12.31 O ATOM 0 H ASP A 35 8.813 5.248 -12.045 1.00 21.31 H new ATOM 0 HA ASP A 35 7.770 5.982 -13.876 1.00 21.40 H new ATOM 0 HB2 ASP A 35 9.018 3.374 -14.624 1.00 22.44 H new ATOM 0 HB3 ASP A 35 7.867 4.027 -15.772 1.00 22.44 H new ATOM 513 N ILE A 36 5.420 5.072 -13.104 1.00 12.44 N ATOM 514 CA ILE A 36 4.000 4.742 -13.101 1.00 62.15 C ATOM 515 C ILE A 36 3.322 5.220 -14.381 1.00 4.31 C ATOM 516 O ILE A 36 3.608 6.310 -14.878 1.00 63.35 O ATOM 517 CB ILE A 36 3.280 5.362 -11.890 1.00 33.45 C ATOM 518 CG1 ILE A 36 1.770 5.137 -11.997 1.00 10.05 C ATOM 519 CG2 ILE A 36 3.594 6.847 -11.789 1.00 60.30 C ATOM 520 CD1 ILE A 36 1.026 5.408 -10.708 1.00 11.03 C ATOM 0 H ILE A 36 5.683 5.806 -12.447 1.00 12.44 H new ATOM 0 HA ILE A 36 3.929 3.656 -13.038 1.00 62.15 H new ATOM 0 HB ILE A 36 3.638 4.873 -10.984 1.00 33.45 H new ATOM 0 HG12 ILE A 36 1.370 5.780 -12.780 1.00 10.05 H new ATOM 0 HG13 ILE A 36 1.585 4.108 -12.304 1.00 10.05 H new ATOM 0 HG21 ILE A 36 3.077 7.270 -10.928 1.00 60.30 H new ATOM 0 HG22 ILE A 36 4.669 6.984 -11.671 1.00 60.30 H new ATOM 0 HG23 ILE A 36 3.261 7.352 -12.696 1.00 60.30 H new ATOM 0 HD11 ILE A 36 -0.039 5.228 -10.858 1.00 11.03 H new ATOM 0 HD12 ILE A 36 1.399 4.746 -9.926 1.00 11.03 H new ATOM 0 HD13 ILE A 36 1.180 6.445 -10.410 1.00 11.03 H new ATOM 532 N LYS A 37 2.421 4.399 -14.909 1.00 12.52 N ATOM 533 CA LYS A 37 1.698 4.739 -16.129 1.00 63.40 C ATOM 534 C LYS A 37 0.242 5.072 -15.824 1.00 15.42 C ATOM 535 O LYS A 37 -0.671 4.375 -16.268 1.00 12.43 O ATOM 536 CB LYS A 37 1.769 3.580 -17.127 1.00 11.23 C ATOM 537 CG LYS A 37 3.067 3.534 -17.915 1.00 14.44 C ATOM 538 CD LYS A 37 4.257 3.255 -17.013 1.00 20.33 C ATOM 539 CE LYS A 37 4.035 2.010 -16.167 1.00 2.21 C ATOM 540 NZ LYS A 37 3.635 0.840 -16.996 1.00 72.02 N ATOM 0 H LYS A 37 2.174 3.493 -14.511 1.00 12.52 H new ATOM 0 HA LYS A 37 2.169 5.619 -16.568 1.00 63.40 H new ATOM 0 HB2 LYS A 37 1.647 2.640 -16.589 1.00 11.23 H new ATOM 0 HB3 LYS A 37 0.934 3.659 -17.823 1.00 11.23 H new ATOM 0 HG2 LYS A 37 3.001 2.762 -18.681 1.00 14.44 H new ATOM 0 HG3 LYS A 37 3.215 4.483 -18.431 1.00 14.44 H new ATOM 0 HD2 LYS A 37 5.153 3.129 -17.620 1.00 20.33 H new ATOM 0 HD3 LYS A 37 4.431 4.112 -16.362 1.00 20.33 H new ATOM 0 HE2 LYS A 37 4.949 1.773 -15.622 1.00 2.21 H new ATOM 0 HE3 LYS A 37 3.263 2.209 -15.424 1.00 2.21 H new ATOM 0 HZ1 LYS A 37 2.660 0.564 -16.760 1.00 72.02 H new ATOM 0 HZ2 LYS A 37 3.689 1.094 -18.003 1.00 72.02 H new ATOM 0 HZ3 LYS A 37 4.276 0.044 -16.805 1.00 72.02 H new ATOM 554 N TYR A 38 0.031 6.142 -15.065 1.00 41.34 N ATOM 555 CA TYR A 38 -1.315 6.568 -14.700 1.00 60.34 C ATOM 556 C TYR A 38 -1.597 7.978 -15.208 1.00 40.44 C ATOM 557 O TYR A 38 -0.694 8.678 -15.664 1.00 64.04 O ATOM 558 CB TYR A 38 -1.495 6.515 -13.182 1.00 73.34 C ATOM 559 CG TYR A 38 -1.092 7.791 -12.480 1.00 12.52 C ATOM 560 CD1 TYR A 38 0.213 8.262 -12.548 1.00 4.34 C ATOM 561 CD2 TYR A 38 -2.016 8.526 -11.748 1.00 13.44 C ATOM 562 CE1 TYR A 38 0.587 9.428 -11.907 1.00 35.13 C ATOM 563 CE2 TYR A 38 -1.652 9.694 -11.105 1.00 35.21 C ATOM 564 CZ TYR A 38 -0.350 10.140 -11.187 1.00 50.32 C ATOM 565 OH TYR A 38 0.017 11.302 -10.547 1.00 73.11 O ATOM 0 H TYR A 38 0.775 6.730 -14.690 1.00 41.34 H new ATOM 0 HA TYR A 38 -2.024 5.885 -15.167 1.00 60.34 H new ATOM 0 HB2 TYR A 38 -2.539 6.300 -12.956 1.00 73.34 H new ATOM 0 HB3 TYR A 38 -0.906 5.689 -12.783 1.00 73.34 H new ATOM 0 HD1 TYR A 38 0.948 7.707 -13.112 1.00 4.34 H new ATOM 0 HD2 TYR A 38 -3.036 8.179 -11.680 1.00 13.44 H new ATOM 0 HE1 TYR A 38 1.606 9.780 -11.969 1.00 35.13 H new ATOM 0 HE2 TYR A 38 -2.383 10.254 -10.541 1.00 35.21 H new ATOM 0 HH TYR A 38 0.139 11.125 -9.591 1.00 73.11 H new ATOM 575 N ASN A 39 -2.858 8.389 -15.125 1.00 13.21 N ATOM 576 CA ASN A 39 -3.261 9.716 -15.576 1.00 13.44 C ATOM 577 C ASN A 39 -4.748 9.949 -15.322 1.00 64.10 C ATOM 578 O ASN A 39 -5.480 9.023 -14.971 1.00 2.33 O ATOM 579 CB ASN A 39 -2.954 9.887 -17.065 1.00 4.44 C ATOM 580 CG ASN A 39 -3.009 8.574 -17.821 1.00 2.11 C ATOM 581 OD1 ASN A 39 -4.047 7.914 -17.866 1.00 51.21 O ATOM 582 ND2 ASN A 39 -1.888 8.189 -18.419 1.00 63.43 N ATOM 0 H ASN A 39 -3.618 7.822 -14.750 1.00 13.21 H new ATOM 0 HA ASN A 39 -2.693 10.453 -15.008 1.00 13.44 H new ATOM 0 HB2 ASN A 39 -3.668 10.585 -17.502 1.00 4.44 H new ATOM 0 HB3 ASN A 39 -1.964 10.329 -17.181 1.00 4.44 H new ATOM 0 HD21 ASN A 39 -1.864 7.314 -18.942 1.00 63.43 H new ATOM 0 HD22 ASN A 39 -1.051 8.768 -18.355 1.00 63.43 H new ATOM 589 N ILE A 40 -5.186 11.190 -15.503 1.00 40.12 N ATOM 590 CA ILE A 40 -6.585 11.544 -15.296 1.00 22.52 C ATOM 591 C ILE A 40 -7.163 12.242 -16.522 1.00 60.41 C ATOM 592 O ILE A 40 -6.612 13.232 -17.003 1.00 71.15 O ATOM 593 CB ILE A 40 -6.758 12.458 -14.069 1.00 15.11 C ATOM 594 CG1 ILE A 40 -5.396 12.793 -13.459 1.00 10.54 C ATOM 595 CG2 ILE A 40 -7.658 11.795 -13.037 1.00 33.30 C ATOM 596 CD1 ILE A 40 -5.485 13.662 -12.223 1.00 44.25 C ATOM 0 H ILE A 40 -4.592 11.967 -15.793 1.00 40.12 H new ATOM 0 HA ILE A 40 -7.124 10.613 -15.124 1.00 22.52 H new ATOM 0 HB ILE A 40 -7.229 13.387 -14.390 1.00 15.11 H new ATOM 0 HG12 ILE A 40 -4.883 11.866 -13.205 1.00 10.54 H new ATOM 0 HG13 ILE A 40 -4.787 13.300 -14.207 1.00 10.54 H new ATOM 0 HG21 ILE A 40 -7.771 12.453 -12.176 1.00 33.30 H new ATOM 0 HG22 ILE A 40 -8.636 11.603 -13.477 1.00 33.30 H new ATOM 0 HG23 ILE A 40 -7.213 10.853 -12.718 1.00 33.30 H new ATOM 0 HD11 ILE A 40 -4.482 13.860 -11.844 1.00 44.25 H new ATOM 0 HD12 ILE A 40 -5.970 14.605 -12.475 1.00 44.25 H new ATOM 0 HD13 ILE A 40 -6.067 13.148 -11.458 1.00 44.25 H new ATOM 608 N PHE A 41 -8.278 11.720 -17.022 1.00 71.23 N ATOM 609 CA PHE A 41 -8.933 12.293 -18.193 1.00 4.35 C ATOM 610 C PHE A 41 -10.418 12.522 -17.928 1.00 21.53 C ATOM 611 O PHE A 41 -11.064 11.737 -17.231 1.00 41.24 O ATOM 612 CB PHE A 41 -8.754 11.376 -19.404 1.00 30.21 C ATOM 613 CG PHE A 41 -8.816 9.914 -19.063 1.00 44.32 C ATOM 614 CD1 PHE A 41 -10.034 9.260 -18.977 1.00 51.25 C ATOM 615 CD2 PHE A 41 -7.655 9.194 -18.829 1.00 52.42 C ATOM 616 CE1 PHE A 41 -10.093 7.916 -18.663 1.00 75.43 C ATOM 617 CE2 PHE A 41 -7.708 7.849 -18.515 1.00 13.40 C ATOM 618 CZ PHE A 41 -8.929 7.209 -18.433 1.00 52.10 C ATOM 0 H PHE A 41 -8.747 10.901 -16.635 1.00 71.23 H new ATOM 0 HA PHE A 41 -8.467 13.256 -18.404 1.00 4.35 H new ATOM 0 HB2 PHE A 41 -9.527 11.603 -20.139 1.00 30.21 H new ATOM 0 HB3 PHE A 41 -7.794 11.591 -19.874 1.00 30.21 H new ATOM 0 HD1 PHE A 41 -10.948 9.807 -19.157 1.00 51.25 H new ATOM 0 HD2 PHE A 41 -6.698 9.690 -18.893 1.00 52.42 H new ATOM 0 HE1 PHE A 41 -11.049 7.418 -18.597 1.00 75.43 H new ATOM 0 HE2 PHE A 41 -6.796 7.299 -18.334 1.00 13.40 H new ATOM 0 HZ PHE A 41 -8.974 6.158 -18.190 1.00 52.10 H new ATOM 628 N LEU A 42 -10.953 13.601 -18.487 1.00 72.13 N ATOM 629 CA LEU A 42 -12.363 13.934 -18.312 1.00 44.21 C ATOM 630 C LEU A 42 -13.166 13.578 -19.559 1.00 65.11 C ATOM 631 O LEU A 42 -12.905 14.093 -20.646 1.00 42.04 O ATOM 632 CB LEU A 42 -12.520 15.423 -17.999 1.00 3.23 C ATOM 633 CG LEU A 42 -13.954 15.950 -17.943 1.00 72.21 C ATOM 634 CD1 LEU A 42 -14.452 16.291 -19.339 1.00 31.10 C ATOM 635 CD2 LEU A 42 -14.871 14.931 -17.282 1.00 70.10 C ATOM 0 H LEU A 42 -10.433 14.261 -19.065 1.00 72.13 H new ATOM 0 HA LEU A 42 -12.748 13.350 -17.476 1.00 44.21 H new ATOM 0 HB2 LEU A 42 -12.043 15.624 -17.040 1.00 3.23 H new ATOM 0 HB3 LEU A 42 -11.975 15.991 -18.752 1.00 3.23 H new ATOM 0 HG LEU A 42 -13.963 16.860 -17.344 1.00 72.21 H new ATOM 0 HD11 LEU A 42 -15.474 16.664 -19.279 1.00 31.10 H new ATOM 0 HD12 LEU A 42 -13.811 17.056 -19.777 1.00 31.10 H new ATOM 0 HD13 LEU A 42 -14.428 15.397 -19.962 1.00 31.10 H new ATOM 0 HD21 LEU A 42 -15.888 15.323 -17.251 1.00 70.10 H new ATOM 0 HD22 LEU A 42 -14.857 14.004 -17.855 1.00 70.10 H new ATOM 0 HD23 LEU A 42 -14.526 14.736 -16.267 1.00 70.10 H new ATOM 647 N VAL A 43 -14.145 12.695 -19.394 1.00 30.43 N ATOM 648 CA VAL A 43 -14.989 12.272 -20.505 1.00 22.20 C ATOM 649 C VAL A 43 -16.341 12.974 -20.466 1.00 53.24 C ATOM 650 O VAL A 43 -16.977 13.062 -19.416 1.00 32.32 O ATOM 651 CB VAL A 43 -15.214 10.748 -20.491 1.00 5.10 C ATOM 652 CG1 VAL A 43 -14.004 10.035 -19.905 1.00 51.25 C ATOM 653 CG2 VAL A 43 -16.474 10.403 -19.713 1.00 14.01 C ATOM 0 H VAL A 43 -14.374 12.258 -18.501 1.00 30.43 H new ATOM 0 HA VAL A 43 -14.466 12.546 -21.421 1.00 22.20 H new ATOM 0 HB VAL A 43 -15.344 10.408 -21.518 1.00 5.10 H new ATOM 0 HG11 VAL A 43 -14.181 8.959 -19.903 1.00 51.25 H new ATOM 0 HG12 VAL A 43 -13.124 10.257 -20.508 1.00 51.25 H new ATOM 0 HG13 VAL A 43 -13.839 10.377 -18.883 1.00 51.25 H new ATOM 0 HG21 VAL A 43 -16.617 9.322 -19.713 1.00 14.01 H new ATOM 0 HG22 VAL A 43 -16.376 10.756 -18.686 1.00 14.01 H new ATOM 0 HG23 VAL A 43 -17.333 10.883 -20.181 1.00 14.01 H new ATOM 663 N ASP A 44 -16.776 13.473 -21.618 1.00 44.24 N ATOM 664 CA ASP A 44 -18.054 14.167 -21.717 1.00 53.25 C ATOM 665 C ASP A 44 -18.831 13.703 -22.946 1.00 44.40 C ATOM 666 O ASP A 44 -18.505 14.072 -24.075 1.00 41.23 O ATOM 667 CB ASP A 44 -17.835 15.680 -21.779 1.00 25.43 C ATOM 668 CG ASP A 44 -19.069 16.426 -22.245 1.00 32.32 C ATOM 669 OD1 ASP A 44 -20.190 15.990 -21.906 1.00 24.24 O ATOM 670 OD2 ASP A 44 -18.915 17.446 -22.948 1.00 33.11 O ATOM 0 H ASP A 44 -16.262 13.410 -22.497 1.00 44.24 H new ATOM 0 HA ASP A 44 -18.638 13.928 -20.828 1.00 53.25 H new ATOM 0 HB2 ASP A 44 -17.546 16.043 -20.793 1.00 25.43 H new ATOM 0 HB3 ASP A 44 -17.007 15.897 -22.454 1.00 25.43 H new ATOM 675 N LEU A 45 -19.858 12.892 -22.719 1.00 3.12 N ATOM 676 CA LEU A 45 -20.681 12.376 -23.807 1.00 44.34 C ATOM 677 C LEU A 45 -22.115 12.147 -23.344 1.00 34.44 C ATOM 678 O LEU A 45 -22.378 12.011 -22.148 1.00 70.33 O ATOM 679 CB LEU A 45 -20.091 11.071 -24.344 1.00 41.15 C ATOM 680 CG LEU A 45 -19.423 10.161 -23.313 1.00 13.55 C ATOM 681 CD1 LEU A 45 -18.069 10.721 -22.905 1.00 60.40 C ATOM 682 CD2 LEU A 45 -20.319 9.989 -22.095 1.00 33.32 C ATOM 0 H LEU A 45 -20.141 12.577 -21.791 1.00 3.12 H new ATOM 0 HA LEU A 45 -20.691 13.118 -24.605 1.00 44.34 H new ATOM 0 HB2 LEU A 45 -20.888 10.510 -24.832 1.00 41.15 H new ATOM 0 HB3 LEU A 45 -19.357 11.316 -25.112 1.00 41.15 H new ATOM 0 HG LEU A 45 -19.267 9.182 -23.767 1.00 13.55 H new ATOM 0 HD11 LEU A 45 -17.608 10.060 -22.171 1.00 60.40 H new ATOM 0 HD12 LEU A 45 -17.426 10.793 -23.782 1.00 60.40 H new ATOM 0 HD13 LEU A 45 -18.201 11.711 -22.469 1.00 60.40 H new ATOM 0 HD21 LEU A 45 -19.828 9.338 -21.371 1.00 33.32 H new ATOM 0 HD22 LEU A 45 -20.506 10.962 -21.640 1.00 33.32 H new ATOM 0 HD23 LEU A 45 -21.266 9.543 -22.400 1.00 33.32 H new ATOM 694 N TYR A 46 -23.040 12.102 -24.297 1.00 4.24 N ATOM 695 CA TYR A 46 -24.448 11.889 -23.986 1.00 32.21 C ATOM 696 C TYR A 46 -24.974 12.984 -23.063 1.00 34.52 C ATOM 697 O TYR A 46 -25.860 12.747 -22.242 1.00 61.02 O ATOM 698 CB TYR A 46 -24.647 10.519 -23.336 1.00 23.45 C ATOM 699 CG TYR A 46 -24.491 9.363 -24.298 1.00 42.11 C ATOM 700 CD1 TYR A 46 -23.240 8.821 -24.568 1.00 11.53 C ATOM 701 CD2 TYR A 46 -25.595 8.812 -24.937 1.00 42.23 C ATOM 702 CE1 TYR A 46 -23.093 7.766 -25.447 1.00 51.30 C ATOM 703 CE2 TYR A 46 -25.457 7.756 -25.817 1.00 74.11 C ATOM 704 CZ TYR A 46 -24.205 7.237 -26.069 1.00 24.10 C ATOM 705 OH TYR A 46 -24.063 6.185 -26.944 1.00 65.25 O ATOM 0 H TYR A 46 -22.839 12.210 -25.291 1.00 4.24 H new ATOM 0 HA TYR A 46 -25.009 11.926 -24.920 1.00 32.21 H new ATOM 0 HB2 TYR A 46 -23.929 10.404 -22.524 1.00 23.45 H new ATOM 0 HB3 TYR A 46 -25.641 10.479 -22.891 1.00 23.45 H new ATOM 0 HD1 TYR A 46 -22.368 9.232 -24.082 1.00 11.53 H new ATOM 0 HD2 TYR A 46 -26.577 9.216 -24.742 1.00 42.23 H new ATOM 0 HE1 TYR A 46 -22.113 7.358 -25.646 1.00 51.30 H new ATOM 0 HE2 TYR A 46 -26.326 7.339 -26.305 1.00 74.11 H new ATOM 0 HH TYR A 46 -24.942 5.930 -27.295 1.00 65.25 H new ATOM 715 N GLY A 47 -24.422 14.185 -23.205 1.00 23.44 N ATOM 716 CA GLY A 47 -24.847 15.299 -22.378 1.00 51.12 C ATOM 717 C GLY A 47 -24.525 15.090 -20.912 1.00 33.32 C ATOM 718 O GLY A 47 -25.072 15.773 -20.047 1.00 2.42 O ATOM 0 H GLY A 47 -23.688 14.406 -23.878 1.00 23.44 H new ATOM 0 HA2 GLY A 47 -24.363 16.211 -22.726 1.00 51.12 H new ATOM 0 HA3 GLY A 47 -25.921 15.444 -22.494 1.00 51.12 H new ATOM 722 N GLN A 48 -23.637 14.141 -20.632 1.00 55.01 N ATOM 723 CA GLN A 48 -23.246 13.842 -19.260 1.00 13.35 C ATOM 724 C GLN A 48 -21.741 14.003 -19.075 1.00 40.42 C ATOM 725 O GLN A 48 -20.953 13.588 -19.925 1.00 5.13 O ATOM 726 CB GLN A 48 -23.669 12.421 -18.884 1.00 62.13 C ATOM 727 CG GLN A 48 -25.157 12.163 -19.058 1.00 62.52 C ATOM 728 CD GLN A 48 -25.708 11.203 -18.021 1.00 43.54 C ATOM 729 OE1 GLN A 48 -25.380 10.017 -18.021 1.00 21.43 O ATOM 730 NE2 GLN A 48 -26.550 11.714 -17.131 1.00 21.02 N ATOM 0 H GLN A 48 -23.175 13.567 -21.337 1.00 55.01 H new ATOM 0 HA GLN A 48 -23.752 14.549 -18.603 1.00 13.35 H new ATOM 0 HB2 GLN A 48 -23.112 11.711 -19.495 1.00 62.13 H new ATOM 0 HB3 GLN A 48 -23.395 12.232 -17.846 1.00 62.13 H new ATOM 0 HG2 GLN A 48 -25.696 13.108 -18.995 1.00 62.52 H new ATOM 0 HG3 GLN A 48 -25.338 11.759 -20.054 1.00 62.52 H new ATOM 0 HE21 GLN A 48 -26.794 12.704 -17.169 1.00 21.02 H new ATOM 0 HE22 GLN A 48 -26.953 11.117 -16.409 1.00 21.02 H new ATOM 739 N LYS A 49 -21.348 14.609 -17.960 1.00 10.50 N ATOM 740 CA LYS A 49 -19.937 14.825 -17.662 1.00 51.43 C ATOM 741 C LYS A 49 -19.465 13.887 -16.556 1.00 43.51 C ATOM 742 O LYS A 49 -20.112 13.762 -15.517 1.00 15.14 O ATOM 743 CB LYS A 49 -19.699 16.279 -17.249 1.00 44.51 C ATOM 744 CG LYS A 49 -20.088 17.287 -18.317 1.00 21.00 C ATOM 745 CD LYS A 49 -21.476 17.853 -18.070 1.00 73.20 C ATOM 746 CE LYS A 49 -21.447 19.369 -17.951 1.00 32.10 C ATOM 747 NZ LYS A 49 -22.594 19.885 -17.153 1.00 60.32 N ATOM 0 H LYS A 49 -21.988 14.960 -17.247 1.00 10.50 H new ATOM 0 HA LYS A 49 -19.364 14.612 -18.564 1.00 51.43 H new ATOM 0 HB2 LYS A 49 -20.265 16.487 -16.341 1.00 44.51 H new ATOM 0 HB3 LYS A 49 -18.645 16.410 -17.004 1.00 44.51 H new ATOM 0 HG2 LYS A 49 -19.361 18.099 -18.335 1.00 21.00 H new ATOM 0 HG3 LYS A 49 -20.057 16.810 -19.297 1.00 21.00 H new ATOM 0 HD2 LYS A 49 -22.138 17.564 -18.886 1.00 73.20 H new ATOM 0 HD3 LYS A 49 -21.888 17.423 -17.157 1.00 73.20 H new ATOM 0 HE2 LYS A 49 -20.512 19.679 -17.485 1.00 32.10 H new ATOM 0 HE3 LYS A 49 -21.469 19.812 -18.947 1.00 32.10 H new ATOM 0 HZ1 LYS A 49 -22.538 20.922 -17.095 1.00 60.32 H new ATOM 0 HZ2 LYS A 49 -23.487 19.611 -17.611 1.00 60.32 H new ATOM 0 HZ3 LYS A 49 -22.559 19.483 -16.195 1.00 60.32 H new ATOM 761 N TYR A 50 -18.332 13.232 -16.786 1.00 13.20 N ATOM 762 CA TYR A 50 -17.774 12.305 -15.809 1.00 1.10 C ATOM 763 C TYR A 50 -16.256 12.228 -15.937 1.00 24.11 C ATOM 764 O TYR A 50 -15.713 12.235 -17.042 1.00 3.41 O ATOM 765 CB TYR A 50 -18.383 10.914 -15.989 1.00 33.33 C ATOM 766 CG TYR A 50 -19.864 10.858 -15.689 1.00 33.11 C ATOM 767 CD1 TYR A 50 -20.344 11.100 -14.408 1.00 25.05 C ATOM 768 CD2 TYR A 50 -20.784 10.564 -16.688 1.00 15.02 C ATOM 769 CE1 TYR A 50 -21.696 11.049 -14.129 1.00 44.32 C ATOM 770 CE2 TYR A 50 -22.139 10.513 -16.419 1.00 24.41 C ATOM 771 CZ TYR A 50 -22.589 10.755 -15.138 1.00 51.40 C ATOM 772 OH TYR A 50 -23.937 10.705 -14.865 1.00 41.41 O ATOM 0 H TYR A 50 -17.783 13.326 -17.640 1.00 13.20 H new ATOM 0 HA TYR A 50 -18.019 12.675 -14.813 1.00 1.10 H new ATOM 0 HB2 TYR A 50 -18.216 10.583 -17.014 1.00 33.33 H new ATOM 0 HB3 TYR A 50 -17.862 10.212 -15.338 1.00 33.33 H new ATOM 0 HD1 TYR A 50 -19.648 11.332 -13.616 1.00 25.05 H new ATOM 0 HD2 TYR A 50 -20.434 10.372 -17.692 1.00 15.02 H new ATOM 0 HE1 TYR A 50 -22.051 11.238 -13.127 1.00 44.32 H new ATOM 0 HE2 TYR A 50 -22.841 10.285 -17.207 1.00 24.41 H new ATOM 0 HH TYR A 50 -24.429 10.487 -15.684 1.00 41.41 H new ATOM 782 N PHE A 51 -15.576 12.153 -14.798 1.00 5.24 N ATOM 783 CA PHE A 51 -14.119 12.075 -14.780 1.00 75.12 C ATOM 784 C PHE A 51 -13.655 10.656 -14.467 1.00 21.44 C ATOM 785 O PHE A 51 -14.135 10.028 -13.522 1.00 50.43 O ATOM 786 CB PHE A 51 -13.547 13.050 -13.749 1.00 54.35 C ATOM 787 CG PHE A 51 -13.800 14.493 -14.084 1.00 73.51 C ATOM 788 CD1 PHE A 51 -15.067 15.037 -13.949 1.00 73.15 C ATOM 789 CD2 PHE A 51 -12.771 15.304 -14.534 1.00 20.20 C ATOM 790 CE1 PHE A 51 -15.303 16.364 -14.256 1.00 74.22 C ATOM 791 CE2 PHE A 51 -13.001 16.631 -14.842 1.00 0.42 C ATOM 792 CZ PHE A 51 -14.269 17.162 -14.704 1.00 21.31 C ATOM 0 H PHE A 51 -16.010 12.145 -13.875 1.00 5.24 H new ATOM 0 HA PHE A 51 -13.753 12.348 -15.770 1.00 75.12 H new ATOM 0 HB2 PHE A 51 -13.980 12.830 -12.773 1.00 54.35 H new ATOM 0 HB3 PHE A 51 -12.472 12.888 -13.664 1.00 54.35 H new ATOM 0 HD1 PHE A 51 -15.880 14.417 -13.600 1.00 73.15 H new ATOM 0 HD2 PHE A 51 -11.778 14.894 -14.645 1.00 20.20 H new ATOM 0 HE1 PHE A 51 -16.295 16.776 -14.146 1.00 74.22 H new ATOM 0 HE2 PHE A 51 -12.190 17.253 -15.191 1.00 0.42 H new ATOM 0 HZ PHE A 51 -14.451 18.199 -14.946 1.00 21.31 H new ATOM 802 N ARG A 52 -12.718 10.156 -15.266 1.00 31.10 N ATOM 803 CA ARG A 52 -12.189 8.811 -15.076 1.00 35.43 C ATOM 804 C ARG A 52 -10.664 8.825 -15.048 1.00 61.24 C ATOM 805 O ARG A 52 -10.027 9.551 -15.811 1.00 44.35 O ATOM 806 CB ARG A 52 -12.682 7.884 -16.189 1.00 2.01 C ATOM 807 CG ARG A 52 -14.170 8.010 -16.473 1.00 23.24 C ATOM 808 CD ARG A 52 -15.000 7.302 -15.414 1.00 35.12 C ATOM 809 NE ARG A 52 -15.848 8.231 -14.671 1.00 5.11 N ATOM 810 CZ ARG A 52 -16.941 7.863 -14.012 1.00 41.14 C ATOM 811 NH1 ARG A 52 -17.318 6.592 -14.004 1.00 65.13 N ATOM 812 NH2 ARG A 52 -17.660 8.768 -13.360 1.00 22.52 N ATOM 0 H ARG A 52 -12.309 10.663 -16.051 1.00 31.10 H new ATOM 0 HA ARG A 52 -12.549 8.438 -14.117 1.00 35.43 H new ATOM 0 HB2 ARG A 52 -12.127 8.100 -17.102 1.00 2.01 H new ATOM 0 HB3 ARG A 52 -12.459 6.852 -15.916 1.00 2.01 H new ATOM 0 HG2 ARG A 52 -14.447 9.064 -16.510 1.00 23.24 H new ATOM 0 HG3 ARG A 52 -14.392 7.588 -17.453 1.00 23.24 H new ATOM 0 HD2 ARG A 52 -15.622 6.544 -15.889 1.00 35.12 H new ATOM 0 HD3 ARG A 52 -14.337 6.783 -14.721 1.00 35.12 H new ATOM 0 HE ARG A 52 -15.586 9.217 -14.658 1.00 5.11 H new ATOM 0 HH11 ARG A 52 -16.768 5.894 -14.505 1.00 65.13 H new ATOM 0 HH12 ARG A 52 -18.158 6.312 -13.497 1.00 65.13 H new ATOM 0 HH21 ARG A 52 -17.373 9.747 -13.365 1.00 22.52 H new ATOM 0 HH22 ARG A 52 -18.499 8.485 -12.854 1.00 22.52 H new ATOM 826 N ILE A 53 -10.086 8.018 -14.165 1.00 4.31 N ATOM 827 CA ILE A 53 -8.636 7.938 -14.039 1.00 43.11 C ATOM 828 C ILE A 53 -8.134 6.532 -14.350 1.00 41.00 C ATOM 829 O ILE A 53 -8.732 5.540 -13.930 1.00 51.44 O ATOM 830 CB ILE A 53 -8.170 8.336 -12.626 1.00 53.30 C ATOM 831 CG1 ILE A 53 -7.981 7.091 -11.758 1.00 32.32 C ATOM 832 CG2 ILE A 53 -9.171 9.287 -11.987 1.00 15.00 C ATOM 833 CD1 ILE A 53 -6.625 6.441 -11.920 1.00 43.23 C ATOM 0 H ILE A 53 -10.599 7.410 -13.526 1.00 4.31 H new ATOM 0 HA ILE A 53 -8.218 8.639 -14.761 1.00 43.11 H new ATOM 0 HB ILE A 53 -7.211 8.848 -12.706 1.00 53.30 H new ATOM 0 HG12 ILE A 53 -8.122 7.363 -10.712 1.00 32.32 H new ATOM 0 HG13 ILE A 53 -8.755 6.365 -12.006 1.00 32.32 H new ATOM 0 HG21 ILE A 53 -8.828 9.559 -10.989 1.00 15.00 H new ATOM 0 HG22 ILE A 53 -9.260 10.185 -12.598 1.00 15.00 H new ATOM 0 HG23 ILE A 53 -10.143 8.798 -11.916 1.00 15.00 H new ATOM 0 HD11 ILE A 53 -6.562 5.565 -11.275 1.00 43.23 H new ATOM 0 HD12 ILE A 53 -6.489 6.138 -12.958 1.00 43.23 H new ATOM 0 HD13 ILE A 53 -5.846 7.151 -11.644 1.00 43.23 H new ATOM 845 N LEU A 54 -7.031 6.453 -15.086 1.00 71.14 N ATOM 846 CA LEU A 54 -6.446 5.168 -15.453 1.00 32.44 C ATOM 847 C LEU A 54 -5.041 5.025 -14.876 1.00 71.25 C ATOM 848 O LEU A 54 -4.187 5.889 -15.075 1.00 23.12 O ATOM 849 CB LEU A 54 -6.403 5.020 -16.975 1.00 32.35 C ATOM 850 CG LEU A 54 -6.517 3.593 -17.514 1.00 5.33 C ATOM 851 CD1 LEU A 54 -6.337 3.578 -19.024 1.00 24.43 C ATOM 852 CD2 LEU A 54 -5.494 2.687 -16.843 1.00 52.04 C ATOM 0 H LEU A 54 -6.524 7.264 -15.441 1.00 71.14 H new ATOM 0 HA LEU A 54 -7.072 4.379 -15.036 1.00 32.44 H new ATOM 0 HB2 LEU A 54 -7.212 5.614 -17.401 1.00 32.35 H new ATOM 0 HB3 LEU A 54 -5.468 5.450 -17.336 1.00 32.35 H new ATOM 0 HG LEU A 54 -7.513 3.215 -17.284 1.00 5.33 H new ATOM 0 HD11 LEU A 54 -6.421 2.555 -19.390 1.00 24.43 H new ATOM 0 HD12 LEU A 54 -7.107 4.194 -19.488 1.00 24.43 H new ATOM 0 HD13 LEU A 54 -5.354 3.974 -19.277 1.00 24.43 H new ATOM 0 HD21 LEU A 54 -5.589 1.676 -17.238 1.00 52.04 H new ATOM 0 HD22 LEU A 54 -4.490 3.062 -17.042 1.00 52.04 H new ATOM 0 HD23 LEU A 54 -5.669 2.674 -15.767 1.00 52.04 H new ATOM 864 N PHE A 55 -4.808 3.928 -14.164 1.00 70.40 N ATOM 865 CA PHE A 55 -3.506 3.670 -13.560 1.00 1.50 C ATOM 866 C PHE A 55 -2.987 2.290 -13.953 1.00 10.42 C ATOM 867 O PHE A 55 -3.618 1.274 -13.664 1.00 2.04 O ATOM 868 CB PHE A 55 -3.596 3.779 -12.036 1.00 54.14 C ATOM 869 CG PHE A 55 -2.498 3.050 -11.317 1.00 62.02 C ATOM 870 CD1 PHE A 55 -1.191 3.114 -11.774 1.00 12.14 C ATOM 871 CD2 PHE A 55 -2.772 2.300 -10.185 1.00 22.12 C ATOM 872 CE1 PHE A 55 -0.178 2.445 -11.114 1.00 23.41 C ATOM 873 CE2 PHE A 55 -1.763 1.629 -9.521 1.00 25.23 C ATOM 874 CZ PHE A 55 -0.464 1.700 -9.986 1.00 51.25 C ATOM 0 H PHE A 55 -5.504 3.203 -13.991 1.00 70.40 H new ATOM 0 HA PHE A 55 -2.807 4.420 -13.930 1.00 1.50 H new ATOM 0 HB2 PHE A 55 -3.569 4.831 -11.753 1.00 54.14 H new ATOM 0 HB3 PHE A 55 -4.558 3.385 -11.708 1.00 54.14 H new ATOM 0 HD1 PHE A 55 -0.962 3.693 -12.656 1.00 12.14 H new ATOM 0 HD2 PHE A 55 -3.786 2.239 -9.817 1.00 22.12 H new ATOM 0 HE1 PHE A 55 0.837 2.504 -11.480 1.00 23.41 H new ATOM 0 HE2 PHE A 55 -1.990 1.049 -8.639 1.00 25.23 H new ATOM 0 HZ PHE A 55 0.326 1.175 -9.469 1.00 51.25 H new ATOM 884 N GLN A 56 -1.834 2.264 -14.614 1.00 13.32 N ATOM 885 CA GLN A 56 -1.231 1.010 -15.048 1.00 32.44 C ATOM 886 C GLN A 56 0.213 0.905 -14.569 1.00 11.45 C ATOM 887 O GLN A 56 0.923 1.907 -14.485 1.00 45.15 O ATOM 888 CB GLN A 56 -1.285 0.894 -16.572 1.00 21.30 C ATOM 889 CG GLN A 56 -0.416 -0.223 -17.128 1.00 52.12 C ATOM 890 CD GLN A 56 -0.930 -0.758 -18.450 1.00 63.33 C ATOM 891 OE1 GLN A 56 -2.122 -0.676 -18.746 1.00 13.34 O ATOM 892 NE2 GLN A 56 -0.030 -1.311 -19.255 1.00 22.41 N ATOM 0 H GLN A 56 -1.299 3.097 -14.860 1.00 13.32 H new ATOM 0 HA GLN A 56 -1.801 0.191 -14.608 1.00 32.44 H new ATOM 0 HB2 GLN A 56 -2.317 0.727 -16.879 1.00 21.30 H new ATOM 0 HB3 GLN A 56 -0.971 1.841 -17.012 1.00 21.30 H new ATOM 0 HG2 GLN A 56 0.602 0.145 -17.260 1.00 52.12 H new ATOM 0 HG3 GLN A 56 -0.370 -1.037 -16.404 1.00 52.12 H new ATOM 0 HE21 GLN A 56 0.948 -1.358 -18.970 1.00 22.41 H new ATOM 0 HE22 GLN A 56 -0.317 -1.688 -20.158 1.00 22.41 H new ATOM 901 N SER A 57 0.640 -0.313 -14.254 1.00 24.20 N ATOM 902 CA SER A 57 1.999 -0.548 -13.779 1.00 11.22 C ATOM 903 C SER A 57 2.857 -1.173 -14.875 1.00 4.45 C ATOM 904 O SER A 57 2.381 -1.435 -15.979 1.00 44.43 O ATOM 905 CB SER A 57 1.982 -1.457 -12.548 1.00 53.42 C ATOM 906 OG SER A 57 2.424 -0.762 -11.395 1.00 11.10 O ATOM 0 H SER A 57 0.065 -1.153 -14.319 1.00 24.20 H new ATOM 0 HA SER A 57 2.433 0.414 -13.506 1.00 11.22 H new ATOM 0 HB2 SER A 57 0.972 -1.834 -12.384 1.00 53.42 H new ATOM 0 HB3 SER A 57 2.621 -2.322 -12.722 1.00 53.42 H new ATOM 0 HG SER A 57 1.781 -0.893 -10.667 1.00 11.10 H new ATOM 912 N LYS A 58 4.127 -1.409 -14.560 1.00 54.13 N ATOM 913 CA LYS A 58 5.054 -2.004 -15.515 1.00 53.04 C ATOM 914 C LYS A 58 5.185 -3.506 -15.283 1.00 1.31 C ATOM 915 O LYS A 58 5.370 -4.277 -16.225 1.00 1.31 O ATOM 916 CB LYS A 58 6.427 -1.338 -15.407 1.00 23.23 C ATOM 917 CG LYS A 58 7.458 -1.910 -16.365 1.00 30.03 C ATOM 918 CD LYS A 58 7.971 -0.853 -17.328 1.00 10.30 C ATOM 919 CE LYS A 58 6.985 -0.605 -18.460 1.00 4.54 C ATOM 920 NZ LYS A 58 7.308 -1.418 -19.664 1.00 71.24 N ATOM 0 H LYS A 58 4.537 -1.197 -13.650 1.00 54.13 H new ATOM 0 HA LYS A 58 4.657 -1.843 -16.517 1.00 53.04 H new ATOM 0 HB2 LYS A 58 6.319 -0.270 -15.598 1.00 23.23 H new ATOM 0 HB3 LYS A 58 6.794 -1.444 -14.386 1.00 23.23 H new ATOM 0 HG2 LYS A 58 8.293 -2.323 -15.799 1.00 30.03 H new ATOM 0 HG3 LYS A 58 7.016 -2.733 -16.928 1.00 30.03 H new ATOM 0 HD2 LYS A 58 8.148 0.077 -16.788 1.00 10.30 H new ATOM 0 HD3 LYS A 58 8.929 -1.170 -17.741 1.00 10.30 H new ATOM 0 HE2 LYS A 58 5.976 -0.842 -18.122 1.00 4.54 H new ATOM 0 HE3 LYS A 58 6.993 0.453 -18.723 1.00 4.54 H new ATOM 0 HZ1 LYS A 58 6.614 -1.221 -20.413 1.00 71.24 H new ATOM 0 HZ2 LYS A 58 8.261 -1.174 -20.002 1.00 71.24 H new ATOM 0 HZ3 LYS A 58 7.276 -2.428 -19.420 1.00 71.24 H new ATOM 934 N LYS A 59 5.087 -3.915 -14.023 1.00 30.52 N ATOM 935 CA LYS A 59 5.192 -5.325 -13.666 1.00 31.33 C ATOM 936 C LYS A 59 3.860 -6.039 -13.873 1.00 21.54 C ATOM 937 O LYS A 59 3.766 -7.258 -13.716 1.00 44.33 O ATOM 938 CB LYS A 59 5.641 -5.472 -12.210 1.00 54.10 C ATOM 939 CG LYS A 59 7.106 -5.841 -12.060 1.00 4.44 C ATOM 940 CD LYS A 59 7.971 -4.611 -11.837 1.00 52.25 C ATOM 941 CE LYS A 59 7.955 -3.692 -13.050 1.00 22.33 C ATOM 942 NZ LYS A 59 9.320 -3.206 -13.395 1.00 72.40 N ATOM 0 H LYS A 59 4.935 -3.290 -13.231 1.00 30.52 H new ATOM 0 HA LYS A 59 5.936 -5.785 -14.317 1.00 31.33 H new ATOM 0 HB2 LYS A 59 5.455 -4.535 -11.685 1.00 54.10 H new ATOM 0 HB3 LYS A 59 5.031 -6.235 -11.726 1.00 54.10 H new ATOM 0 HG2 LYS A 59 7.225 -6.528 -11.222 1.00 4.44 H new ATOM 0 HG3 LYS A 59 7.443 -6.367 -12.953 1.00 4.44 H new ATOM 0 HD2 LYS A 59 7.614 -4.067 -10.962 1.00 52.25 H new ATOM 0 HD3 LYS A 59 8.995 -4.918 -11.625 1.00 52.25 H new ATOM 0 HE2 LYS A 59 7.532 -4.223 -13.903 1.00 22.33 H new ATOM 0 HE3 LYS A 59 7.305 -2.840 -12.851 1.00 22.33 H new ATOM 0 HZ1 LYS A 59 9.252 -2.272 -13.847 1.00 72.40 H new ATOM 0 HZ2 LYS A 59 9.891 -3.131 -12.529 1.00 72.40 H new ATOM 0 HZ3 LYS A 59 9.772 -3.875 -14.050 1.00 72.40 H new ATOM 956 N LEU A 60 2.833 -5.275 -14.226 1.00 32.00 N ATOM 957 CA LEU A 60 1.506 -5.835 -14.456 1.00 74.41 C ATOM 958 C LEU A 60 1.592 -7.127 -15.263 1.00 43.22 C ATOM 959 O LEU A 60 2.285 -7.191 -16.279 1.00 1.44 O ATOM 960 CB LEU A 60 0.622 -4.822 -15.187 1.00 24.34 C ATOM 961 CG LEU A 60 0.983 -4.548 -16.647 1.00 53.30 C ATOM 962 CD1 LEU A 60 2.485 -4.372 -16.802 1.00 43.21 C ATOM 963 CD2 LEU A 60 0.480 -5.672 -17.541 1.00 24.33 C ATOM 0 H LEU A 60 2.893 -4.266 -14.359 1.00 32.00 H new ATOM 0 HA LEU A 60 1.062 -6.062 -13.487 1.00 74.41 H new ATOM 0 HB2 LEU A 60 -0.409 -5.175 -15.148 1.00 24.34 H new ATOM 0 HB3 LEU A 60 0.657 -3.879 -14.642 1.00 24.34 H new ATOM 0 HG LEU A 60 0.497 -3.622 -16.954 1.00 53.30 H new ATOM 0 HD11 LEU A 60 2.723 -4.178 -17.848 1.00 43.21 H new ATOM 0 HD12 LEU A 60 2.818 -3.532 -16.192 1.00 43.21 H new ATOM 0 HD13 LEU A 60 2.993 -5.280 -16.477 1.00 43.21 H new ATOM 0 HD21 LEU A 60 0.746 -5.460 -18.577 1.00 24.33 H new ATOM 0 HD22 LEU A 60 0.937 -6.613 -17.234 1.00 24.33 H new ATOM 0 HD23 LEU A 60 -0.604 -5.749 -17.453 1.00 24.33 H new ATOM 975 N SER A 61 0.883 -8.153 -14.806 1.00 34.34 N ATOM 976 CA SER A 61 0.880 -9.444 -15.484 1.00 64.01 C ATOM 977 C SER A 61 -0.480 -9.724 -16.115 1.00 33.03 C ATOM 978 O SER A 61 -1.514 -9.305 -15.595 1.00 73.43 O ATOM 979 CB SER A 61 1.240 -10.561 -14.502 1.00 54.20 C ATOM 980 OG SER A 61 2.639 -10.781 -14.469 1.00 41.53 O ATOM 0 H SER A 61 0.302 -8.116 -13.968 1.00 34.34 H new ATOM 0 HA SER A 61 1.628 -9.412 -16.276 1.00 64.01 H new ATOM 0 HB2 SER A 61 0.886 -10.300 -13.505 1.00 54.20 H new ATOM 0 HB3 SER A 61 0.731 -11.481 -14.790 1.00 54.20 H new ATOM 0 HG SER A 61 2.842 -11.498 -13.833 1.00 41.53 H new ATOM 986 N GLU A 62 -0.470 -10.435 -17.238 1.00 11.11 N ATOM 987 CA GLU A 62 -1.703 -10.770 -17.940 1.00 72.32 C ATOM 988 C GLU A 62 -2.480 -11.849 -17.191 1.00 13.55 C ATOM 989 O GLU A 62 -3.707 -11.791 -17.093 1.00 21.41 O ATOM 990 CB GLU A 62 -1.394 -11.244 -19.362 1.00 21.32 C ATOM 991 CG GLU A 62 -1.605 -10.174 -20.420 1.00 23.23 C ATOM 992 CD GLU A 62 -1.951 -10.756 -21.777 1.00 3.52 C ATOM 993 OE1 GLU A 62 -1.982 -11.998 -21.900 1.00 51.43 O ATOM 994 OE2 GLU A 62 -2.190 -9.967 -22.715 1.00 74.35 O ATOM 0 H GLU A 62 0.378 -10.790 -17.681 1.00 11.11 H new ATOM 0 HA GLU A 62 -2.318 -9.871 -17.989 1.00 72.32 H new ATOM 0 HB2 GLU A 62 -0.360 -11.587 -19.405 1.00 21.32 H new ATOM 0 HB3 GLU A 62 -2.024 -12.102 -19.595 1.00 21.32 H new ATOM 0 HG2 GLU A 62 -2.405 -9.505 -20.101 1.00 23.23 H new ATOM 0 HG3 GLU A 62 -0.701 -9.571 -20.507 1.00 23.23 H new ATOM 1001 N LEU A 63 -1.758 -12.831 -16.663 1.00 52.12 N ATOM 1002 CA LEU A 63 -2.379 -13.924 -15.922 1.00 44.32 C ATOM 1003 C LEU A 63 -2.187 -13.741 -14.420 1.00 53.30 C ATOM 1004 O LEU A 63 -1.774 -12.675 -13.961 1.00 73.14 O ATOM 1005 CB LEU A 63 -1.789 -15.265 -16.363 1.00 52.43 C ATOM 1006 CG LEU A 63 -1.743 -15.514 -17.871 1.00 42.23 C ATOM 1007 CD1 LEU A 63 -3.005 -14.989 -18.538 1.00 60.10 C ATOM 1008 CD2 LEU A 63 -0.507 -14.868 -18.481 1.00 13.31 C ATOM 0 H LEU A 63 -0.742 -12.893 -16.734 1.00 52.12 H new ATOM 0 HA LEU A 63 -3.448 -13.915 -16.137 1.00 44.32 H new ATOM 0 HB2 LEU A 63 -0.774 -15.339 -15.971 1.00 52.43 H new ATOM 0 HB3 LEU A 63 -2.368 -16.064 -15.900 1.00 52.43 H new ATOM 0 HG LEU A 63 -1.688 -16.589 -18.040 1.00 42.23 H new ATOM 0 HD11 LEU A 63 -2.954 -15.175 -19.611 1.00 60.10 H new ATOM 0 HD12 LEU A 63 -3.875 -15.498 -18.122 1.00 60.10 H new ATOM 0 HD13 LEU A 63 -3.092 -13.917 -18.360 1.00 60.10 H new ATOM 0 HD21 LEU A 63 -0.491 -15.055 -19.555 1.00 13.31 H new ATOM 0 HD22 LEU A 63 -0.532 -13.793 -18.301 1.00 13.31 H new ATOM 0 HD23 LEU A 63 0.388 -15.292 -18.025 1.00 13.31 H new ATOM 1020 N HIS A 64 -2.488 -14.788 -13.658 1.00 52.24 N ATOM 1021 CA HIS A 64 -2.346 -14.744 -12.207 1.00 55.43 C ATOM 1022 C HIS A 64 -3.320 -13.740 -11.597 1.00 1.12 C ATOM 1023 O HIS A 64 -2.947 -12.630 -11.216 1.00 14.01 O ATOM 1024 CB HIS A 64 -0.912 -14.378 -11.825 1.00 30.13 C ATOM 1025 CG HIS A 64 0.125 -15.135 -12.596 1.00 50.11 C ATOM 1026 ND1 HIS A 64 0.154 -16.512 -12.668 1.00 54.41 N ATOM 1027 CD2 HIS A 64 1.173 -14.699 -13.333 1.00 64.21 C ATOM 1028 CE1 HIS A 64 1.176 -16.890 -13.415 1.00 33.14 C ATOM 1029 NE2 HIS A 64 1.810 -15.809 -13.831 1.00 25.22 N ATOM 0 H HIS A 64 -2.832 -15.677 -14.021 1.00 52.24 H new ATOM 0 HA HIS A 64 -2.577 -15.734 -11.813 1.00 55.43 H new ATOM 0 HB2 HIS A 64 -0.764 -13.310 -11.984 1.00 30.13 H new ATOM 0 HB3 HIS A 64 -0.769 -14.564 -10.761 1.00 30.13 H new ATOM 0 HD2 HIS A 64 1.456 -13.670 -13.499 1.00 64.21 H new ATOM 0 HE1 HIS A 64 1.447 -17.910 -13.646 1.00 33.14 H new ATOM 0 HE2 HIS A 64 2.639 -15.800 -14.426 1.00 25.22 H new ATOM 1037 N PRO A 65 -4.598 -14.137 -11.501 1.00 44.34 N ATOM 1038 CA PRO A 65 -5.651 -13.286 -10.938 1.00 64.42 C ATOM 1039 C PRO A 65 -5.496 -13.092 -9.434 1.00 31.23 C ATOM 1040 O PRO A 65 -6.200 -12.285 -8.828 1.00 44.40 O ATOM 1041 CB PRO A 65 -6.935 -14.060 -11.249 1.00 3.45 C ATOM 1042 CG PRO A 65 -6.503 -15.481 -11.363 1.00 42.33 C ATOM 1043 CD PRO A 65 -5.113 -15.446 -11.935 1.00 63.15 C ATOM 0 HA PRO A 65 -5.631 -12.280 -11.357 1.00 64.42 H new ATOM 0 HB2 PRO A 65 -7.675 -13.933 -10.459 1.00 3.45 H new ATOM 0 HB3 PRO A 65 -7.394 -13.710 -12.174 1.00 3.45 H new ATOM 0 HG2 PRO A 65 -6.512 -15.971 -10.389 1.00 42.33 H new ATOM 0 HG3 PRO A 65 -7.177 -16.043 -12.009 1.00 42.33 H new ATOM 0 HD2 PRO A 65 -4.501 -16.264 -11.555 1.00 63.15 H new ATOM 0 HD3 PRO A 65 -5.123 -15.534 -13.021 1.00 63.15 H new ATOM 1051 N GLU A 66 -4.571 -13.838 -8.837 1.00 40.42 N ATOM 1052 CA GLU A 66 -4.326 -13.746 -7.403 1.00 24.43 C ATOM 1053 C GLU A 66 -3.878 -12.340 -7.016 1.00 3.13 C ATOM 1054 O GLU A 66 -4.362 -11.771 -6.038 1.00 4.11 O ATOM 1055 CB GLU A 66 -3.266 -14.766 -6.978 1.00 54.31 C ATOM 1056 CG GLU A 66 -3.688 -15.626 -5.799 1.00 22.12 C ATOM 1057 CD GLU A 66 -4.101 -17.025 -6.215 1.00 44.41 C ATOM 1058 OE1 GLU A 66 -3.220 -17.802 -6.638 1.00 73.44 O ATOM 1059 OE2 GLU A 66 -5.305 -17.341 -6.117 1.00 2.11 O ATOM 0 H GLU A 66 -3.980 -14.512 -9.324 1.00 40.42 H new ATOM 0 HA GLU A 66 -5.260 -13.966 -6.886 1.00 24.43 H new ATOM 0 HB2 GLU A 66 -3.036 -15.413 -7.825 1.00 54.31 H new ATOM 0 HB3 GLU A 66 -2.348 -14.238 -6.721 1.00 54.31 H new ATOM 0 HG2 GLU A 66 -2.864 -15.691 -5.088 1.00 22.12 H new ATOM 0 HG3 GLU A 66 -4.518 -15.145 -5.282 1.00 22.12 H new ATOM 1066 N GLU A 67 -2.950 -11.786 -7.790 1.00 61.44 N ATOM 1067 CA GLU A 67 -2.436 -10.447 -7.528 1.00 23.52 C ATOM 1068 C GLU A 67 -3.454 -9.385 -7.932 1.00 4.22 C ATOM 1069 O GLU A 67 -3.557 -8.335 -7.296 1.00 63.43 O ATOM 1070 CB GLU A 67 -1.123 -10.224 -8.281 1.00 62.32 C ATOM 1071 CG GLU A 67 -1.228 -10.476 -9.776 1.00 33.31 C ATOM 1072 CD GLU A 67 -0.227 -11.504 -10.266 1.00 40.04 C ATOM 1073 OE1 GLU A 67 0.008 -12.495 -9.545 1.00 25.33 O ATOM 1074 OE2 GLU A 67 0.321 -11.316 -11.373 1.00 30.31 O ATOM 0 H GLU A 67 -2.539 -12.244 -8.603 1.00 61.44 H new ATOM 0 HA GLU A 67 -2.251 -10.360 -6.457 1.00 23.52 H new ATOM 0 HB2 GLU A 67 -0.789 -9.200 -8.116 1.00 62.32 H new ATOM 0 HB3 GLU A 67 -0.359 -10.879 -7.863 1.00 62.32 H new ATOM 0 HG2 GLU A 67 -2.237 -10.814 -10.014 1.00 33.31 H new ATOM 0 HG3 GLU A 67 -1.072 -9.539 -10.310 1.00 33.31 H new ATOM 1081 N ARG A 68 -4.203 -9.665 -8.993 1.00 42.22 N ATOM 1082 CA ARG A 68 -5.211 -8.733 -9.484 1.00 33.23 C ATOM 1083 C ARG A 68 -6.252 -8.442 -8.407 1.00 11.14 C ATOM 1084 O ARG A 68 -6.569 -7.285 -8.130 1.00 43.43 O ATOM 1085 CB ARG A 68 -5.896 -9.299 -10.730 1.00 4.44 C ATOM 1086 CG ARG A 68 -4.924 -9.844 -11.763 1.00 70.24 C ATOM 1087 CD ARG A 68 -5.625 -10.155 -13.077 1.00 22.53 C ATOM 1088 NE ARG A 68 -6.950 -10.733 -12.867 1.00 25.24 N ATOM 1089 CZ ARG A 68 -7.902 -10.744 -13.793 1.00 1.34 C ATOM 1090 NH1 ARG A 68 -7.677 -10.211 -14.986 1.00 21.12 N ATOM 1091 NH2 ARG A 68 -9.082 -11.288 -13.526 1.00 71.40 N ATOM 0 H ARG A 68 -4.131 -10.530 -9.529 1.00 42.22 H new ATOM 0 HA ARG A 68 -4.711 -7.800 -9.744 1.00 33.23 H new ATOM 0 HB2 ARG A 68 -6.578 -10.094 -10.430 1.00 4.44 H new ATOM 0 HB3 ARG A 68 -6.501 -8.517 -11.189 1.00 4.44 H new ATOM 0 HG2 ARG A 68 -4.130 -9.118 -11.936 1.00 70.24 H new ATOM 0 HG3 ARG A 68 -4.451 -10.748 -11.378 1.00 70.24 H new ATOM 0 HD2 ARG A 68 -5.717 -9.241 -13.664 1.00 22.53 H new ATOM 0 HD3 ARG A 68 -5.016 -10.847 -13.658 1.00 22.53 H new ATOM 0 HE ARG A 68 -7.155 -11.151 -11.960 1.00 25.24 H new ATOM 0 HH11 ARG A 68 -6.771 -9.791 -15.194 1.00 21.12 H new ATOM 0 HH12 ARG A 68 -8.410 -10.221 -15.695 1.00 21.12 H new ATOM 0 HH21 ARG A 68 -9.259 -11.698 -12.609 1.00 71.40 H new ATOM 0 HH22 ARG A 68 -9.813 -11.296 -14.238 1.00 71.40 H new ATOM 1105 N LYS A 69 -6.782 -9.500 -7.802 1.00 2.34 N ATOM 1106 CA LYS A 69 -7.786 -9.359 -6.754 1.00 74.32 C ATOM 1107 C LYS A 69 -7.191 -8.701 -5.514 1.00 22.13 C ATOM 1108 O LYS A 69 -7.833 -7.871 -4.870 1.00 22.14 O ATOM 1109 CB LYS A 69 -8.367 -10.727 -6.390 1.00 34.34 C ATOM 1110 CG LYS A 69 -7.332 -11.709 -5.870 1.00 64.10 C ATOM 1111 CD LYS A 69 -7.948 -13.067 -5.577 1.00 43.14 C ATOM 1112 CE LYS A 69 -8.831 -13.023 -4.340 1.00 75.13 C ATOM 1113 NZ LYS A 69 -8.108 -13.490 -3.125 1.00 52.21 N ATOM 0 H LYS A 69 -6.533 -10.465 -8.020 1.00 2.34 H new ATOM 0 HA LYS A 69 -8.584 -8.721 -7.133 1.00 74.32 H new ATOM 0 HB2 LYS A 69 -9.141 -10.594 -5.634 1.00 34.34 H new ATOM 0 HB3 LYS A 69 -8.850 -11.153 -7.270 1.00 34.34 H new ATOM 0 HG2 LYS A 69 -6.535 -11.821 -6.605 1.00 64.10 H new ATOM 0 HG3 LYS A 69 -6.876 -11.312 -4.963 1.00 64.10 H new ATOM 0 HD2 LYS A 69 -8.537 -13.393 -6.434 1.00 43.14 H new ATOM 0 HD3 LYS A 69 -7.157 -13.803 -5.435 1.00 43.14 H new ATOM 0 HE2 LYS A 69 -9.185 -12.004 -4.183 1.00 75.13 H new ATOM 0 HE3 LYS A 69 -9.712 -13.645 -4.500 1.00 75.13 H new ATOM 0 HZ1 LYS A 69 -8.744 -13.445 -2.304 1.00 52.21 H new ATOM 0 HZ2 LYS A 69 -7.792 -14.471 -3.265 1.00 52.21 H new ATOM 0 HZ3 LYS A 69 -7.282 -12.881 -2.957 1.00 52.21 H new ATOM 1127 N LYS A 70 -5.959 -9.076 -5.184 1.00 53.45 N ATOM 1128 CA LYS A 70 -5.275 -8.520 -4.023 1.00 20.21 C ATOM 1129 C LYS A 70 -5.211 -6.998 -4.105 1.00 70.42 C ATOM 1130 O LYS A 70 -5.614 -6.299 -3.176 1.00 4.14 O ATOM 1131 CB LYS A 70 -3.861 -9.096 -3.915 1.00 10.52 C ATOM 1132 CG LYS A 70 -3.192 -8.820 -2.579 1.00 55.52 C ATOM 1133 CD LYS A 70 -3.716 -9.743 -1.492 1.00 54.30 C ATOM 1134 CE LYS A 70 -3.304 -11.186 -1.740 1.00 10.35 C ATOM 1135 NZ LYS A 70 -3.458 -12.024 -0.518 1.00 43.22 N ATOM 0 H LYS A 70 -5.414 -9.763 -5.705 1.00 53.45 H new ATOM 0 HA LYS A 70 -5.842 -8.794 -3.133 1.00 20.21 H new ATOM 0 HB2 LYS A 70 -3.903 -10.173 -4.075 1.00 10.52 H new ATOM 0 HB3 LYS A 70 -3.246 -8.679 -4.713 1.00 10.52 H new ATOM 0 HG2 LYS A 70 -2.114 -8.948 -2.678 1.00 55.52 H new ATOM 0 HG3 LYS A 70 -3.365 -7.783 -2.292 1.00 55.52 H new ATOM 0 HD2 LYS A 70 -3.338 -9.417 -0.523 1.00 54.30 H new ATOM 0 HD3 LYS A 70 -4.803 -9.676 -1.449 1.00 54.30 H new ATOM 0 HE2 LYS A 70 -3.909 -11.603 -2.545 1.00 10.35 H new ATOM 0 HE3 LYS A 70 -2.266 -11.216 -2.072 1.00 10.35 H new ATOM 0 HZ1 LYS A 70 -3.167 -13.000 -0.728 1.00 43.22 H new ATOM 0 HZ2 LYS A 70 -2.862 -11.641 0.243 1.00 43.22 H new ATOM 0 HZ3 LYS A 70 -4.453 -12.017 -0.215 1.00 43.22 H new ATOM 1149 N VAL A 71 -4.704 -6.492 -5.225 1.00 3.45 N ATOM 1150 CA VAL A 71 -4.590 -5.052 -5.429 1.00 62.52 C ATOM 1151 C VAL A 71 -5.964 -4.402 -5.536 1.00 74.01 C ATOM 1152 O VAL A 71 -6.160 -3.266 -5.105 1.00 1.34 O ATOM 1153 CB VAL A 71 -3.780 -4.729 -6.699 1.00 55.50 C ATOM 1154 CG1 VAL A 71 -2.363 -5.267 -6.581 1.00 21.31 C ATOM 1155 CG2 VAL A 71 -4.473 -5.293 -7.930 1.00 53.32 C ATOM 0 H VAL A 71 -4.366 -7.057 -6.004 1.00 3.45 H new ATOM 0 HA VAL A 71 -4.068 -4.649 -4.561 1.00 62.52 H new ATOM 0 HB VAL A 71 -3.723 -3.646 -6.806 1.00 55.50 H new ATOM 0 HG11 VAL A 71 -1.807 -5.029 -7.488 1.00 21.31 H new ATOM 0 HG12 VAL A 71 -1.871 -4.810 -5.723 1.00 21.31 H new ATOM 0 HG13 VAL A 71 -2.394 -6.348 -6.448 1.00 21.31 H new ATOM 0 HG21 VAL A 71 -3.887 -5.056 -8.818 1.00 53.32 H new ATOM 0 HG22 VAL A 71 -4.563 -6.375 -7.833 1.00 53.32 H new ATOM 0 HG23 VAL A 71 -5.466 -4.853 -8.022 1.00 53.32 H new ATOM 1165 N ARG A 72 -6.914 -5.130 -6.113 1.00 73.45 N ATOM 1166 CA ARG A 72 -8.272 -4.624 -6.278 1.00 25.11 C ATOM 1167 C ARG A 72 -8.863 -4.208 -4.934 1.00 40.23 C ATOM 1168 O ARG A 72 -9.344 -3.086 -4.779 1.00 33.14 O ATOM 1169 CB ARG A 72 -9.159 -5.685 -6.931 1.00 61.30 C ATOM 1170 CG ARG A 72 -9.729 -5.260 -8.274 1.00 63.14 C ATOM 1171 CD ARG A 72 -8.667 -5.285 -9.363 1.00 31.11 C ATOM 1172 NE ARG A 72 -9.142 -4.679 -10.604 1.00 64.32 N ATOM 1173 CZ ARG A 72 -9.976 -5.282 -11.444 1.00 11.11 C ATOM 1174 NH1 ARG A 72 -10.426 -6.500 -11.176 1.00 52.15 N ATOM 1175 NH2 ARG A 72 -10.362 -4.666 -12.554 1.00 14.53 N ATOM 0 H ARG A 72 -6.769 -6.073 -6.474 1.00 73.45 H new ATOM 0 HA ARG A 72 -8.231 -3.748 -6.925 1.00 25.11 H new ATOM 0 HB2 ARG A 72 -8.580 -6.599 -7.065 1.00 61.30 H new ATOM 0 HB3 ARG A 72 -9.981 -5.924 -6.256 1.00 61.30 H new ATOM 0 HG2 ARG A 72 -10.549 -5.923 -8.549 1.00 63.14 H new ATOM 0 HG3 ARG A 72 -10.145 -4.256 -8.193 1.00 63.14 H new ATOM 0 HD2 ARG A 72 -7.780 -4.754 -9.017 1.00 31.11 H new ATOM 0 HD3 ARG A 72 -8.368 -6.316 -9.554 1.00 31.11 H new ATOM 0 HE ARG A 72 -8.816 -3.742 -10.839 1.00 64.32 H new ATOM 0 HH11 ARG A 72 -10.132 -6.976 -10.323 1.00 52.15 H new ATOM 0 HH12 ARG A 72 -11.066 -6.961 -11.823 1.00 52.15 H new ATOM 0 HH21 ARG A 72 -10.018 -3.729 -12.763 1.00 14.53 H new ATOM 0 HH22 ARG A 72 -11.002 -5.130 -13.198 1.00 14.53 H new ATOM 1189 N GLU A 73 -8.823 -5.120 -3.968 1.00 13.21 N ATOM 1190 CA GLU A 73 -9.357 -4.847 -2.639 1.00 3.15 C ATOM 1191 C GLU A 73 -8.484 -3.837 -1.899 1.00 23.33 C ATOM 1192 O GLU A 73 -8.988 -2.924 -1.246 1.00 12.44 O ATOM 1193 CB GLU A 73 -9.456 -6.141 -1.829 1.00 32.50 C ATOM 1194 CG GLU A 73 -8.135 -6.879 -1.696 1.00 24.21 C ATOM 1195 CD GLU A 73 -8.282 -8.219 -1.001 1.00 63.01 C ATOM 1196 OE1 GLU A 73 -9.060 -9.061 -1.496 1.00 14.21 O ATOM 1197 OE2 GLU A 73 -7.619 -8.426 0.037 1.00 51.32 O ATOM 0 H GLU A 73 -8.427 -6.053 -4.081 1.00 13.21 H new ATOM 0 HA GLU A 73 -10.354 -4.423 -2.756 1.00 3.15 H new ATOM 0 HB2 GLU A 73 -9.834 -5.908 -0.834 1.00 32.50 H new ATOM 0 HB3 GLU A 73 -10.185 -6.800 -2.301 1.00 32.50 H new ATOM 0 HG2 GLU A 73 -7.708 -7.033 -2.687 1.00 24.21 H new ATOM 0 HG3 GLU A 73 -7.432 -6.260 -1.139 1.00 24.21 H new ATOM 1204 N LYS A 74 -7.171 -4.009 -2.005 1.00 64.44 N ATOM 1205 CA LYS A 74 -6.225 -3.115 -1.348 1.00 53.43 C ATOM 1206 C LYS A 74 -6.466 -1.667 -1.765 1.00 34.21 C ATOM 1207 O LYS A 74 -6.627 -0.786 -0.920 1.00 75.21 O ATOM 1208 CB LYS A 74 -4.789 -3.521 -1.685 1.00 3.32 C ATOM 1209 CG LYS A 74 -3.817 -3.332 -0.532 1.00 54.44 C ATOM 1210 CD LYS A 74 -3.822 -1.898 -0.029 1.00 1.01 C ATOM 1211 CE LYS A 74 -3.316 -0.933 -1.090 1.00 53.22 C ATOM 1212 NZ LYS A 74 -1.871 -1.138 -1.383 1.00 4.02 N ATOM 0 H LYS A 74 -6.737 -4.761 -2.541 1.00 64.44 H new ATOM 0 HA LYS A 74 -6.375 -3.195 -0.271 1.00 53.43 H new ATOM 0 HB2 LYS A 74 -4.778 -4.567 -1.991 1.00 3.32 H new ATOM 0 HB3 LYS A 74 -4.446 -2.936 -2.538 1.00 3.32 H new ATOM 0 HG2 LYS A 74 -4.082 -4.006 0.283 1.00 54.44 H new ATOM 0 HG3 LYS A 74 -2.811 -3.602 -0.854 1.00 54.44 H new ATOM 0 HD2 LYS A 74 -4.833 -1.618 0.266 1.00 1.01 H new ATOM 0 HD3 LYS A 74 -3.198 -1.821 0.861 1.00 1.01 H new ATOM 0 HE2 LYS A 74 -3.894 -1.064 -2.005 1.00 53.22 H new ATOM 0 HE3 LYS A 74 -3.477 0.092 -0.755 1.00 53.22 H new ATOM 0 HZ1 LYS A 74 -1.375 -0.225 -1.340 1.00 4.02 H new ATOM 0 HZ2 LYS A 74 -1.463 -1.787 -0.680 1.00 4.02 H new ATOM 0 HZ3 LYS A 74 -1.764 -1.545 -2.334 1.00 4.02 H new ATOM 1226 N PHE A 75 -6.492 -1.429 -3.072 1.00 45.10 N ATOM 1227 CA PHE A 75 -6.714 -0.088 -3.601 1.00 22.15 C ATOM 1228 C PHE A 75 -8.124 0.397 -3.277 1.00 41.13 C ATOM 1229 O PHE A 75 -8.346 1.586 -3.049 1.00 3.33 O ATOM 1230 CB PHE A 75 -6.491 -0.070 -5.114 1.00 45.01 C ATOM 1231 CG PHE A 75 -7.747 0.163 -5.903 1.00 35.32 C ATOM 1232 CD1 PHE A 75 -8.220 1.448 -6.115 1.00 33.35 C ATOM 1233 CD2 PHE A 75 -8.456 -0.904 -6.432 1.00 15.32 C ATOM 1234 CE1 PHE A 75 -9.376 1.665 -6.840 1.00 55.41 C ATOM 1235 CE2 PHE A 75 -9.613 -0.692 -7.159 1.00 21.25 C ATOM 1236 CZ PHE A 75 -10.074 0.594 -7.362 1.00 31.21 C ATOM 0 H PHE A 75 -6.362 -2.147 -3.785 1.00 45.10 H new ATOM 0 HA PHE A 75 -5.999 0.585 -3.128 1.00 22.15 H new ATOM 0 HB2 PHE A 75 -5.769 0.709 -5.357 1.00 45.01 H new ATOM 0 HB3 PHE A 75 -6.051 -1.019 -5.419 1.00 45.01 H new ATOM 0 HD1 PHE A 75 -7.679 2.290 -5.709 1.00 33.35 H new ATOM 0 HD2 PHE A 75 -8.101 -1.912 -6.275 1.00 15.32 H new ATOM 0 HE1 PHE A 75 -9.733 2.672 -6.998 1.00 55.41 H new ATOM 0 HE2 PHE A 75 -10.156 -1.531 -7.568 1.00 21.25 H new ATOM 0 HZ PHE A 75 -10.979 0.762 -7.928 1.00 31.21 H new ATOM 1246 N ASP A 76 -9.073 -0.532 -3.261 1.00 13.01 N ATOM 1247 CA ASP A 76 -10.462 -0.201 -2.965 1.00 54.54 C ATOM 1248 C ASP A 76 -10.581 0.480 -1.605 1.00 72.12 C ATOM 1249 O ASP A 76 -11.173 1.552 -1.487 1.00 74.02 O ATOM 1250 CB ASP A 76 -11.327 -1.461 -2.996 1.00 75.51 C ATOM 1251 CG ASP A 76 -12.307 -1.463 -4.153 1.00 34.31 C ATOM 1252 OD1 ASP A 76 -12.849 -0.385 -4.472 1.00 55.23 O ATOM 1253 OD2 ASP A 76 -12.533 -2.543 -4.738 1.00 61.43 O ATOM 0 H ASP A 76 -8.906 -1.520 -3.450 1.00 13.01 H new ATOM 0 HA ASP A 76 -10.815 0.491 -3.729 1.00 54.54 H new ATOM 0 HB2 ASP A 76 -10.684 -2.338 -3.067 1.00 75.51 H new ATOM 0 HB3 ASP A 76 -11.876 -1.544 -2.058 1.00 75.51 H new ATOM 1258 N GLU A 77 -10.015 -0.152 -0.582 1.00 10.34 N ATOM 1259 CA GLU A 77 -10.060 0.393 0.770 1.00 21.33 C ATOM 1260 C GLU A 77 -9.203 1.651 0.879 1.00 71.21 C ATOM 1261 O GLU A 77 -9.628 2.656 1.447 1.00 45.23 O ATOM 1262 CB GLU A 77 -9.582 -0.652 1.781 1.00 63.01 C ATOM 1263 CG GLU A 77 -8.223 -1.245 1.447 1.00 52.13 C ATOM 1264 CD GLU A 77 -7.826 -2.362 2.392 1.00 43.11 C ATOM 1265 OE1 GLU A 77 -8.666 -3.251 2.645 1.00 4.23 O ATOM 1266 OE2 GLU A 77 -6.676 -2.347 2.878 1.00 23.43 O ATOM 0 H GLU A 77 -9.521 -1.040 -0.663 1.00 10.34 H new ATOM 0 HA GLU A 77 -11.094 0.658 0.993 1.00 21.33 H new ATOM 0 HB2 GLU A 77 -9.537 -0.195 2.769 1.00 63.01 H new ATOM 0 HB3 GLU A 77 -10.316 -1.456 1.835 1.00 63.01 H new ATOM 0 HG2 GLU A 77 -8.238 -1.626 0.426 1.00 52.13 H new ATOM 0 HG3 GLU A 77 -7.469 -0.459 1.483 1.00 52.13 H new ATOM 1273 N ASN A 78 -7.994 1.586 0.330 1.00 33.54 N ATOM 1274 CA ASN A 78 -7.077 2.718 0.366 1.00 5.43 C ATOM 1275 C ASN A 78 -7.754 3.984 -0.150 1.00 71.03 C ATOM 1276 O ASN A 78 -7.550 5.073 0.386 1.00 34.25 O ATOM 1277 CB ASN A 78 -5.829 2.418 -0.467 1.00 73.44 C ATOM 1278 CG ASN A 78 -4.620 2.105 0.393 1.00 13.01 C ATOM 1279 OD1 ASN A 78 -4.603 1.113 1.122 1.00 11.22 O ATOM 1280 ND2 ASN A 78 -3.601 2.953 0.312 1.00 74.21 N ATOM 0 H ASN A 78 -7.627 0.761 -0.145 1.00 33.54 H new ATOM 0 HA ASN A 78 -6.783 2.881 1.403 1.00 5.43 H new ATOM 0 HB2 ASN A 78 -6.030 1.574 -1.127 1.00 73.44 H new ATOM 0 HB3 ASN A 78 -5.606 3.274 -1.104 1.00 73.44 H new ATOM 0 HD21 ASN A 78 -2.760 2.795 0.868 1.00 74.21 H new ATOM 0 HD22 ASN A 78 -3.659 3.762 -0.306 1.00 74.21 H new ATOM 1287 N SER A 79 -8.561 3.832 -1.196 1.00 11.05 N ATOM 1288 CA SER A 79 -9.267 4.963 -1.787 1.00 63.32 C ATOM 1289 C SER A 79 -10.447 5.383 -0.916 1.00 62.31 C ATOM 1290 O SER A 79 -10.672 6.571 -0.688 1.00 53.44 O ATOM 1291 CB SER A 79 -9.757 4.607 -3.192 1.00 64.21 C ATOM 1292 OG SER A 79 -10.455 3.374 -3.192 1.00 21.34 O ATOM 0 H SER A 79 -8.742 2.937 -1.651 1.00 11.05 H new ATOM 0 HA SER A 79 -8.571 5.799 -1.853 1.00 63.32 H new ATOM 0 HB2 SER A 79 -10.409 5.397 -3.564 1.00 64.21 H new ATOM 0 HB3 SER A 79 -8.908 4.548 -3.872 1.00 64.21 H new ATOM 0 HG SER A 79 -9.814 2.635 -3.257 1.00 21.34 H new ATOM 1298 N ARG A 80 -11.197 4.398 -0.432 1.00 4.12 N ATOM 1299 CA ARG A 80 -12.354 4.664 0.413 1.00 14.33 C ATOM 1300 C ARG A 80 -11.920 5.153 1.792 1.00 54.51 C ATOM 1301 O ARG A 80 -12.746 5.581 2.598 1.00 73.30 O ATOM 1302 CB ARG A 80 -13.210 3.404 0.554 1.00 55.23 C ATOM 1303 CG ARG A 80 -12.833 2.541 1.746 1.00 3.04 C ATOM 1304 CD ARG A 80 -13.690 2.862 2.960 1.00 11.44 C ATOM 1305 NE ARG A 80 -14.070 1.659 3.696 1.00 55.32 N ATOM 1306 CZ ARG A 80 -14.755 1.679 4.834 1.00 51.30 C ATOM 1307 NH1 ARG A 80 -15.133 2.834 5.364 1.00 2.40 N ATOM 1308 NH2 ARG A 80 -15.064 0.542 5.444 1.00 4.11 N ATOM 0 H ARG A 80 -11.024 3.409 -0.611 1.00 4.12 H new ATOM 0 HA ARG A 80 -12.946 5.447 -0.062 1.00 14.33 H new ATOM 0 HB2 ARG A 80 -14.257 3.695 0.643 1.00 55.23 H new ATOM 0 HB3 ARG A 80 -13.120 2.811 -0.356 1.00 55.23 H new ATOM 0 HG2 ARG A 80 -12.949 1.489 1.486 1.00 3.04 H new ATOM 0 HG3 ARG A 80 -11.782 2.695 1.990 1.00 3.04 H new ATOM 0 HD2 ARG A 80 -13.144 3.534 3.622 1.00 11.44 H new ATOM 0 HD3 ARG A 80 -14.588 3.390 2.640 1.00 11.44 H new ATOM 0 HE ARG A 80 -13.794 0.754 3.315 1.00 55.32 H new ATOM 0 HH11 ARG A 80 -14.898 3.710 4.898 1.00 2.40 H new ATOM 0 HH12 ARG A 80 -15.659 2.846 6.238 1.00 2.40 H new ATOM 0 HH21 ARG A 80 -14.776 -0.349 5.039 1.00 4.11 H new ATOM 0 HH22 ARG A 80 -15.590 0.559 6.318 1.00 4.11 H new ATOM 1322 N MET A 81 -10.619 5.087 2.055 1.00 14.01 N ATOM 1323 CA MET A 81 -10.076 5.524 3.336 1.00 60.11 C ATOM 1324 C MET A 81 -10.766 6.798 3.813 1.00 44.11 C ATOM 1325 O MET A 81 -11.187 7.626 3.005 1.00 25.40 O ATOM 1326 CB MET A 81 -8.568 5.758 3.221 1.00 15.33 C ATOM 1327 CG MET A 81 -7.741 4.499 3.419 1.00 21.23 C ATOM 1328 SD MET A 81 -7.820 3.874 5.109 1.00 72.02 S ATOM 1329 CE MET A 81 -8.633 2.299 4.850 1.00 53.33 C ATOM 0 H MET A 81 -9.922 4.735 1.399 1.00 14.01 H new ATOM 0 HA MET A 81 -10.260 4.738 4.068 1.00 60.11 H new ATOM 0 HB2 MET A 81 -8.347 6.177 2.239 1.00 15.33 H new ATOM 0 HB3 MET A 81 -8.267 6.501 3.960 1.00 15.33 H new ATOM 0 HG2 MET A 81 -8.092 3.727 2.734 1.00 21.23 H new ATOM 0 HG3 MET A 81 -6.703 4.707 3.161 1.00 21.23 H new ATOM 0 HE1 MET A 81 -8.754 1.790 5.806 1.00 53.33 H new ATOM 0 HE2 MET A 81 -9.612 2.465 4.400 1.00 53.33 H new ATOM 0 HE3 MET A 81 -8.028 1.682 4.185 1.00 53.33 H new ATOM 1339 N GLN A 82 -10.878 6.948 5.129 1.00 44.12 N ATOM 1340 CA GLN A 82 -11.517 8.122 5.712 1.00 74.53 C ATOM 1341 C GLN A 82 -10.828 9.402 5.253 1.00 5.00 C ATOM 1342 O GLN A 82 -9.729 9.363 4.698 1.00 20.34 O ATOM 1343 CB GLN A 82 -11.495 8.035 7.239 1.00 72.03 C ATOM 1344 CG GLN A 82 -12.183 6.796 7.788 1.00 74.21 C ATOM 1345 CD GLN A 82 -13.693 6.866 7.669 1.00 31.23 C ATOM 1346 OE1 GLN A 82 -14.312 6.052 6.983 1.00 21.21 O ATOM 1347 NE2 GLN A 82 -14.295 7.841 8.339 1.00 13.52 N ATOM 0 H GLN A 82 -10.535 6.272 5.811 1.00 44.12 H new ATOM 0 HA GLN A 82 -12.552 8.147 5.372 1.00 74.53 H new ATOM 0 HB2 GLN A 82 -10.460 8.047 7.580 1.00 72.03 H new ATOM 0 HB3 GLN A 82 -11.977 8.921 7.652 1.00 72.03 H new ATOM 0 HG2 GLN A 82 -11.821 5.917 7.254 1.00 74.21 H new ATOM 0 HG3 GLN A 82 -11.910 6.668 8.836 1.00 74.21 H new ATOM 0 HE21 GLN A 82 -13.743 8.494 8.895 1.00 13.52 H new ATOM 0 HE22 GLN A 82 -15.310 7.937 8.297 1.00 13.52 H new ATOM 1356 N TYR A 83 -11.479 10.536 5.488 1.00 61.44 N ATOM 1357 CA TYR A 83 -10.929 11.828 5.096 1.00 53.10 C ATOM 1358 C TYR A 83 -9.641 12.125 5.857 1.00 0.51 C ATOM 1359 O TYR A 83 -8.716 12.734 5.320 1.00 64.23 O ATOM 1360 CB TYR A 83 -11.951 12.938 5.348 1.00 74.12 C ATOM 1361 CG TYR A 83 -12.253 13.773 4.124 1.00 60.54 C ATOM 1362 CD1 TYR A 83 -11.376 14.764 3.701 1.00 13.12 C ATOM 1363 CD2 TYR A 83 -13.415 13.569 3.389 1.00 65.52 C ATOM 1364 CE1 TYR A 83 -11.648 15.529 2.584 1.00 54.42 C ATOM 1365 CE2 TYR A 83 -13.694 14.328 2.269 1.00 11.12 C ATOM 1366 CZ TYR A 83 -12.808 15.308 1.871 1.00 33.51 C ATOM 1367 OH TYR A 83 -13.082 16.067 0.757 1.00 72.24 O ATOM 0 H TYR A 83 -12.388 10.587 5.948 1.00 61.44 H new ATOM 0 HA TYR A 83 -10.700 11.789 4.031 1.00 53.10 H new ATOM 0 HB2 TYR A 83 -12.877 12.492 5.711 1.00 74.12 H new ATOM 0 HB3 TYR A 83 -11.580 13.589 6.139 1.00 74.12 H new ATOM 0 HD1 TYR A 83 -10.466 14.939 4.255 1.00 13.12 H new ATOM 0 HD2 TYR A 83 -14.112 12.804 3.699 1.00 65.52 H new ATOM 0 HE1 TYR A 83 -10.956 16.296 2.270 1.00 54.42 H new ATOM 0 HE2 TYR A 83 -14.601 14.155 1.708 1.00 11.12 H new ATOM 0 HH TYR A 83 -12.242 16.342 0.334 1.00 72.24 H new ATOM 1377 N SER A 84 -9.589 11.691 7.112 1.00 32.02 N ATOM 1378 CA SER A 84 -8.416 11.912 7.950 1.00 14.50 C ATOM 1379 C SER A 84 -7.174 11.290 7.321 1.00 62.12 C ATOM 1380 O SER A 84 -6.151 11.953 7.155 1.00 1.42 O ATOM 1381 CB SER A 84 -8.643 11.328 9.346 1.00 64.14 C ATOM 1382 OG SER A 84 -9.987 11.501 9.760 1.00 42.55 O ATOM 0 H SER A 84 -10.346 11.184 7.571 1.00 32.02 H new ATOM 0 HA SER A 84 -8.258 12.987 8.035 1.00 14.50 H new ATOM 0 HB2 SER A 84 -8.394 10.267 9.344 1.00 64.14 H new ATOM 0 HB3 SER A 84 -7.975 11.811 10.059 1.00 64.14 H new ATOM 0 HG SER A 84 -10.106 11.118 10.654 1.00 42.55 H new ATOM 1388 N GLU A 85 -7.272 10.011 6.972 1.00 31.24 N ATOM 1389 CA GLU A 85 -6.156 9.298 6.362 1.00 20.02 C ATOM 1390 C GLU A 85 -5.867 9.836 4.964 1.00 65.53 C ATOM 1391 O GLU A 85 -4.722 9.827 4.507 1.00 35.12 O ATOM 1392 CB GLU A 85 -6.456 7.799 6.292 1.00 11.24 C ATOM 1393 CG GLU A 85 -5.307 6.926 6.767 1.00 32.35 C ATOM 1394 CD GLU A 85 -4.921 7.202 8.207 1.00 3.24 C ATOM 1395 OE1 GLU A 85 -5.700 6.837 9.112 1.00 23.51 O ATOM 1396 OE2 GLU A 85 -3.838 7.785 8.429 1.00 33.41 O ATOM 0 H GLU A 85 -8.112 9.448 7.101 1.00 31.24 H new ATOM 0 HA GLU A 85 -5.274 9.455 6.983 1.00 20.02 H new ATOM 0 HB2 GLU A 85 -7.338 7.585 6.896 1.00 11.24 H new ATOM 0 HB3 GLU A 85 -6.702 7.534 5.264 1.00 11.24 H new ATOM 0 HG2 GLU A 85 -5.586 5.877 6.664 1.00 32.35 H new ATOM 0 HG3 GLU A 85 -4.442 7.090 6.125 1.00 32.35 H new ATOM 1403 N LEU A 86 -6.911 10.302 4.288 1.00 2.20 N ATOM 1404 CA LEU A 86 -6.770 10.844 2.941 1.00 73.33 C ATOM 1405 C LEU A 86 -6.053 12.190 2.967 1.00 74.22 C ATOM 1406 O LEU A 86 -5.216 12.474 2.112 1.00 44.44 O ATOM 1407 CB LEU A 86 -8.144 10.997 2.286 1.00 52.32 C ATOM 1408 CG LEU A 86 -8.251 10.534 0.833 1.00 64.44 C ATOM 1409 CD1 LEU A 86 -7.311 11.336 -0.054 1.00 21.01 C ATOM 1410 CD2 LEU A 86 -7.949 9.046 0.724 1.00 60.00 C ATOM 0 H LEU A 86 -7.864 10.316 4.650 1.00 2.20 H new ATOM 0 HA LEU A 86 -6.171 10.146 2.356 1.00 73.33 H new ATOM 0 HB2 LEU A 86 -8.870 10.440 2.878 1.00 52.32 H new ATOM 0 HB3 LEU A 86 -8.432 12.047 2.334 1.00 52.32 H new ATOM 0 HG LEU A 86 -9.272 10.704 0.492 1.00 64.44 H new ATOM 0 HD11 LEU A 86 -7.401 10.992 -1.084 1.00 21.01 H new ATOM 0 HD12 LEU A 86 -7.573 12.393 0.000 1.00 21.01 H new ATOM 0 HD13 LEU A 86 -6.284 11.199 0.286 1.00 21.01 H new ATOM 0 HD21 LEU A 86 -8.030 8.734 -0.317 1.00 60.00 H new ATOM 0 HD22 LEU A 86 -6.938 8.853 1.083 1.00 60.00 H new ATOM 0 HD23 LEU A 86 -8.662 8.485 1.328 1.00 60.00 H new ATOM 1422 N MET A 87 -6.387 13.013 3.955 1.00 13.12 N ATOM 1423 CA MET A 87 -5.773 14.328 4.095 1.00 45.15 C ATOM 1424 C MET A 87 -4.393 14.218 4.736 1.00 10.11 C ATOM 1425 O MET A 87 -3.536 15.082 4.544 1.00 72.53 O ATOM 1426 CB MET A 87 -6.665 15.246 4.932 1.00 54.14 C ATOM 1427 CG MET A 87 -7.316 16.360 4.127 1.00 72.50 C ATOM 1428 SD MET A 87 -8.261 15.740 2.722 1.00 14.00 S ATOM 1429 CE MET A 87 -7.188 16.198 1.363 1.00 12.43 C ATOM 0 H MET A 87 -7.080 12.793 4.671 1.00 13.12 H new ATOM 0 HA MET A 87 -5.659 14.755 3.099 1.00 45.15 H new ATOM 0 HB2 MET A 87 -7.444 14.649 5.406 1.00 54.14 H new ATOM 0 HB3 MET A 87 -6.070 15.687 5.732 1.00 54.14 H new ATOM 0 HG2 MET A 87 -7.975 16.936 4.777 1.00 72.50 H new ATOM 0 HG3 MET A 87 -6.545 17.042 3.769 1.00 72.50 H new ATOM 0 HE1 MET A 87 -7.608 17.059 0.842 1.00 12.43 H new ATOM 0 HE2 MET A 87 -6.201 16.453 1.749 1.00 12.43 H new ATOM 0 HE3 MET A 87 -7.101 15.361 0.670 1.00 12.43 H new ATOM 1439 N THR A 88 -4.184 13.150 5.500 1.00 0.43 N ATOM 1440 CA THR A 88 -2.909 12.929 6.171 1.00 34.53 C ATOM 1441 C THR A 88 -1.853 12.427 5.193 1.00 11.13 C ATOM 1442 O THR A 88 -0.734 12.939 5.156 1.00 62.42 O ATOM 1443 CB THR A 88 -3.050 11.915 7.322 1.00 25.54 C ATOM 1444 OG1 THR A 88 -3.901 12.447 8.343 1.00 74.40 O ATOM 1445 CG2 THR A 88 -1.690 11.577 7.915 1.00 43.02 C ATOM 0 H THR A 88 -4.881 12.425 5.669 1.00 0.43 H new ATOM 0 HA THR A 88 -2.595 13.890 6.579 1.00 34.53 H new ATOM 0 HB THR A 88 -3.491 11.003 6.920 1.00 25.54 H new ATOM 0 HG1 THR A 88 -4.812 12.106 8.220 1.00 74.40 H new ATOM 0 HG21 THR A 88 -1.815 10.859 8.726 1.00 43.02 H new ATOM 0 HG22 THR A 88 -1.054 11.145 7.143 1.00 43.02 H new ATOM 0 HG23 THR A 88 -1.226 12.484 8.302 1.00 43.02 H new ATOM 1453 N LYS A 89 -2.215 11.423 4.402 1.00 55.33 N ATOM 1454 CA LYS A 89 -1.300 10.853 3.421 1.00 62.02 C ATOM 1455 C LYS A 89 -0.929 11.884 2.359 1.00 24.43 C ATOM 1456 O LYS A 89 -0.013 11.668 1.565 1.00 52.25 O ATOM 1457 CB LYS A 89 -1.930 9.626 2.757 1.00 1.24 C ATOM 1458 CG LYS A 89 -1.055 8.386 2.816 1.00 2.12 C ATOM 1459 CD LYS A 89 -1.232 7.640 4.128 1.00 54.01 C ATOM 1460 CE LYS A 89 -0.151 8.011 5.131 1.00 10.21 C ATOM 1461 NZ LYS A 89 0.660 6.829 5.535 1.00 0.40 N ATOM 0 H LYS A 89 -3.137 10.987 4.421 1.00 55.33 H new ATOM 0 HA LYS A 89 -0.392 10.550 3.942 1.00 62.02 H new ATOM 0 HB2 LYS A 89 -2.883 9.411 3.240 1.00 1.24 H new ATOM 0 HB3 LYS A 89 -2.146 9.858 1.714 1.00 1.24 H new ATOM 0 HG2 LYS A 89 -1.302 7.726 1.985 1.00 2.12 H new ATOM 0 HG3 LYS A 89 -0.010 8.671 2.697 1.00 2.12 H new ATOM 0 HD2 LYS A 89 -2.212 7.867 4.547 1.00 54.01 H new ATOM 0 HD3 LYS A 89 -1.205 6.566 3.943 1.00 54.01 H new ATOM 0 HE2 LYS A 89 0.502 8.768 4.698 1.00 10.21 H new ATOM 0 HE3 LYS A 89 -0.611 8.454 6.014 1.00 10.21 H new ATOM 0 HZ1 LYS A 89 1.386 7.123 6.219 1.00 0.40 H new ATOM 0 HZ2 LYS A 89 0.041 6.116 5.972 1.00 0.40 H new ATOM 0 HZ3 LYS A 89 1.120 6.421 4.696 1.00 0.40 H new ATOM 1475 N TYR A 90 -1.643 13.003 2.353 1.00 12.20 N ATOM 1476 CA TYR A 90 -1.389 14.067 1.389 1.00 71.35 C ATOM 1477 C TYR A 90 -0.731 15.267 2.062 1.00 42.00 C ATOM 1478 O TYR A 90 0.228 15.838 1.540 1.00 15.25 O ATOM 1479 CB TYR A 90 -2.694 14.497 0.717 1.00 51.14 C ATOM 1480 CG TYR A 90 -2.606 15.839 0.026 1.00 3.20 C ATOM 1481 CD1 TYR A 90 -2.221 15.934 -1.306 1.00 31.43 C ATOM 1482 CD2 TYR A 90 -2.908 17.013 0.705 1.00 1.13 C ATOM 1483 CE1 TYR A 90 -2.138 17.158 -1.940 1.00 72.22 C ATOM 1484 CE2 TYR A 90 -2.829 18.242 0.078 1.00 33.34 C ATOM 1485 CZ TYR A 90 -2.443 18.309 -1.244 1.00 75.22 C ATOM 1486 OH TYR A 90 -2.364 19.530 -1.873 1.00 44.21 O ATOM 0 H TYR A 90 -2.403 13.197 3.005 1.00 12.20 H new ATOM 0 HA TYR A 90 -0.708 13.680 0.631 1.00 71.35 H new ATOM 0 HB2 TYR A 90 -2.984 13.741 -0.012 1.00 51.14 H new ATOM 0 HB3 TYR A 90 -3.484 14.535 1.467 1.00 51.14 H new ATOM 0 HD1 TYR A 90 -1.983 15.035 -1.855 1.00 31.43 H new ATOM 0 HD2 TYR A 90 -3.210 16.964 1.741 1.00 1.13 H new ATOM 0 HE1 TYR A 90 -1.836 17.214 -2.975 1.00 72.22 H new ATOM 0 HE2 TYR A 90 -3.068 19.145 0.620 1.00 33.34 H new ATOM 0 HH TYR A 90 -2.612 20.239 -1.244 1.00 44.21 H new ATOM 1496 N HIS A 91 -1.252 15.644 3.225 1.00 11.21 N ATOM 1497 CA HIS A 91 -0.715 16.776 3.972 1.00 33.04 C ATOM 1498 C HIS A 91 0.506 16.360 4.786 1.00 64.51 C ATOM 1499 O HIS A 91 1.268 17.204 5.257 1.00 41.42 O ATOM 1500 CB HIS A 91 -1.785 17.357 4.898 1.00 61.32 C ATOM 1501 CG HIS A 91 -1.541 18.786 5.272 1.00 11.32 C ATOM 1502 ND1 HIS A 91 -1.341 19.784 4.342 1.00 54.31 N ATOM 1503 CD2 HIS A 91 -1.467 19.384 6.484 1.00 30.35 C ATOM 1504 CE1 HIS A 91 -1.153 20.933 4.966 1.00 53.52 C ATOM 1505 NE2 HIS A 91 -1.225 20.718 6.267 1.00 72.21 N ATOM 0 H HIS A 91 -2.045 15.183 3.671 1.00 11.21 H new ATOM 0 HA HIS A 91 -0.410 17.540 3.256 1.00 33.04 H new ATOM 0 HB2 HIS A 91 -2.757 17.278 4.411 1.00 61.32 H new ATOM 0 HB3 HIS A 91 -1.834 16.756 5.806 1.00 61.32 H new ATOM 0 HD2 HIS A 91 -1.578 18.901 7.444 1.00 30.35 H new ATOM 0 HE1 HIS A 91 -0.971 21.887 4.493 1.00 53.52 H new ATOM 0 HE2 HIS A 91 -1.118 21.427 6.992 1.00 72.21 H new ATOM 1513 N ASP A 92 0.686 15.053 4.948 1.00 41.34 N ATOM 1514 CA ASP A 92 1.815 14.525 5.704 1.00 22.31 C ATOM 1515 C ASP A 92 2.940 14.091 4.769 1.00 30.43 C ATOM 1516 O ASP A 92 4.085 14.521 4.916 1.00 13.30 O ATOM 1517 CB ASP A 92 1.370 13.344 6.569 1.00 54.34 C ATOM 1518 CG ASP A 92 2.254 13.150 7.784 1.00 4.53 C ATOM 1519 OD1 ASP A 92 2.448 14.127 8.539 1.00 21.53 O ATOM 1520 OD2 ASP A 92 2.752 12.023 7.981 1.00 25.43 O ATOM 0 H ASP A 92 0.064 14.340 4.566 1.00 41.34 H new ATOM 0 HA ASP A 92 2.190 15.318 6.351 1.00 22.31 H new ATOM 0 HB2 ASP A 92 0.342 13.502 6.893 1.00 54.34 H new ATOM 0 HB3 ASP A 92 1.378 12.434 5.969 1.00 54.34 H new ATOM 1525 N LEU A 93 2.607 13.235 3.809 1.00 22.13 N ATOM 1526 CA LEU A 93 3.589 12.741 2.850 1.00 4.04 C ATOM 1527 C LEU A 93 4.280 13.897 2.134 1.00 3.11 C ATOM 1528 O LEU A 93 5.403 13.758 1.647 1.00 15.41 O ATOM 1529 CB LEU A 93 2.917 11.822 1.829 1.00 52.21 C ATOM 1530 CG LEU A 93 2.436 10.470 2.357 1.00 64.14 C ATOM 1531 CD1 LEU A 93 1.965 9.587 1.212 1.00 55.24 C ATOM 1532 CD2 LEU A 93 3.542 9.781 3.143 1.00 61.21 C ATOM 0 H LEU A 93 1.665 12.869 3.674 1.00 22.13 H new ATOM 0 HA LEU A 93 4.342 12.175 3.398 1.00 4.04 H new ATOM 0 HB2 LEU A 93 2.062 12.348 1.404 1.00 52.21 H new ATOM 0 HB3 LEU A 93 3.619 11.643 1.014 1.00 52.21 H new ATOM 0 HG LEU A 93 1.593 10.642 3.027 1.00 64.14 H new ATOM 0 HD11 LEU A 93 1.626 8.629 1.607 1.00 55.24 H new ATOM 0 HD12 LEU A 93 1.142 10.076 0.690 1.00 55.24 H new ATOM 0 HD13 LEU A 93 2.788 9.422 0.517 1.00 55.24 H new ATOM 0 HD21 LEU A 93 3.182 8.820 3.511 1.00 61.21 H new ATOM 0 HD22 LEU A 93 4.404 9.622 2.495 1.00 61.21 H new ATOM 0 HD23 LEU A 93 3.833 10.407 3.986 1.00 61.21 H new ATOM 1544 N LYS A 94 3.603 15.039 2.075 1.00 24.14 N ATOM 1545 CA LYS A 94 4.152 16.221 1.422 1.00 2.43 C ATOM 1546 C LYS A 94 5.367 16.747 2.180 1.00 0.22 C ATOM 1547 O LYS A 94 6.108 17.592 1.677 1.00 61.21 O ATOM 1548 CB LYS A 94 3.087 17.315 1.324 1.00 54.54 C ATOM 1549 CG LYS A 94 2.365 17.582 2.633 1.00 21.34 C ATOM 1550 CD LYS A 94 2.905 18.822 3.325 1.00 12.13 C ATOM 1551 CE LYS A 94 3.833 18.460 4.475 1.00 72.04 C ATOM 1552 NZ LYS A 94 3.569 19.289 5.683 1.00 41.51 N ATOM 0 H LYS A 94 2.673 15.171 2.472 1.00 24.14 H new ATOM 0 HA LYS A 94 4.467 15.937 0.418 1.00 2.43 H new ATOM 0 HB2 LYS A 94 3.557 18.238 0.983 1.00 54.54 H new ATOM 0 HB3 LYS A 94 2.356 17.031 0.567 1.00 54.54 H new ATOM 0 HG2 LYS A 94 1.299 17.706 2.443 1.00 21.34 H new ATOM 0 HG3 LYS A 94 2.473 16.720 3.292 1.00 21.34 H new ATOM 0 HD2 LYS A 94 3.442 19.438 2.603 1.00 12.13 H new ATOM 0 HD3 LYS A 94 2.075 19.421 3.701 1.00 12.13 H new ATOM 0 HE2 LYS A 94 3.709 17.406 4.724 1.00 72.04 H new ATOM 0 HE3 LYS A 94 4.868 18.594 4.162 1.00 72.04 H new ATOM 0 HZ1 LYS A 94 4.222 19.012 6.444 1.00 41.51 H new ATOM 0 HZ2 LYS A 94 3.712 20.293 5.453 1.00 41.51 H new ATOM 0 HZ3 LYS A 94 2.589 19.142 5.997 1.00 41.51 H new ATOM 1566 N LYS A 95 5.567 16.241 3.393 1.00 53.45 N ATOM 1567 CA LYS A 95 6.693 16.657 4.220 1.00 42.34 C ATOM 1568 C LYS A 95 8.017 16.252 3.579 1.00 0.23 C ATOM 1569 O LYS A 95 9.002 16.986 3.653 1.00 51.42 O ATOM 1570 CB LYS A 95 6.581 16.043 5.617 1.00 60.24 C ATOM 1571 CG LYS A 95 7.562 16.626 6.618 1.00 4.23 C ATOM 1572 CD LYS A 95 6.992 17.855 7.307 1.00 61.21 C ATOM 1573 CE LYS A 95 7.403 19.134 6.594 1.00 15.20 C ATOM 1574 NZ LYS A 95 7.493 20.287 7.532 1.00 5.21 N ATOM 0 H LYS A 95 4.963 15.542 3.825 1.00 53.45 H new ATOM 0 HA LYS A 95 6.668 17.743 4.305 1.00 42.34 H new ATOM 0 HB2 LYS A 95 5.567 16.188 5.988 1.00 60.24 H new ATOM 0 HB3 LYS A 95 6.743 14.967 5.546 1.00 60.24 H new ATOM 0 HG2 LYS A 95 7.812 15.872 7.365 1.00 4.23 H new ATOM 0 HG3 LYS A 95 8.489 16.890 6.109 1.00 4.23 H new ATOM 0 HD2 LYS A 95 5.905 17.786 7.335 1.00 61.21 H new ATOM 0 HD3 LYS A 95 7.336 17.887 8.341 1.00 61.21 H new ATOM 0 HE2 LYS A 95 8.367 18.985 6.108 1.00 15.20 H new ATOM 0 HE3 LYS A 95 6.682 19.360 5.809 1.00 15.20 H new ATOM 0 HZ1 LYS A 95 7.776 21.140 7.008 1.00 5.21 H new ATOM 0 HZ2 LYS A 95 6.567 20.445 7.977 1.00 5.21 H new ATOM 0 HZ3 LYS A 95 8.200 20.082 8.267 1.00 5.21 H new ATOM 1588 N GLN A 96 8.031 15.081 2.951 1.00 5.01 N ATOM 1589 CA GLN A 96 9.235 14.580 2.298 1.00 52.15 C ATOM 1590 C GLN A 96 9.032 14.475 0.790 1.00 52.34 C ATOM 1591 O GLN A 96 9.986 14.555 0.018 1.00 64.54 O ATOM 1592 CB GLN A 96 9.620 13.214 2.868 1.00 12.24 C ATOM 1593 CG GLN A 96 9.790 13.212 4.379 1.00 13.21 C ATOM 1594 CD GLN A 96 11.008 13.994 4.830 1.00 34.14 C ATOM 1595 OE1 GLN A 96 10.888 15.018 5.503 1.00 12.22 O ATOM 1596 NE2 GLN A 96 12.190 13.514 4.462 1.00 74.11 N ATOM 0 H GLN A 96 7.223 14.462 2.880 1.00 5.01 H new ATOM 0 HA GLN A 96 10.042 15.286 2.490 1.00 52.15 H new ATOM 0 HB2 GLN A 96 8.855 12.487 2.596 1.00 12.24 H new ATOM 0 HB3 GLN A 96 10.551 12.886 2.405 1.00 12.24 H new ATOM 0 HG2 GLN A 96 8.899 13.636 4.842 1.00 13.21 H new ATOM 0 HG3 GLN A 96 9.873 12.183 4.730 1.00 13.21 H new ATOM 0 HE21 GLN A 96 12.243 12.662 3.904 1.00 74.11 H new ATOM 0 HE22 GLN A 96 13.045 13.997 4.737 1.00 74.11 H new ATOM 1605 N GLY A 97 7.781 14.296 0.377 1.00 54.02 N ATOM 1606 CA GLY A 97 7.475 14.183 -1.037 1.00 61.34 C ATOM 1607 C GLY A 97 6.798 15.423 -1.586 1.00 11.05 C ATOM 1608 O GLY A 97 6.788 16.471 -0.940 1.00 45.51 O ATOM 0 H GLY A 97 6.974 14.227 0.997 1.00 54.02 H new ATOM 0 HA2 GLY A 97 8.396 14.000 -1.591 1.00 61.34 H new ATOM 0 HA3 GLY A 97 6.830 13.319 -1.198 1.00 61.34 H new ATOM 1612 N LYS A 98 6.230 15.306 -2.781 1.00 63.12 N ATOM 1613 CA LYS A 98 5.548 16.426 -3.418 1.00 34.03 C ATOM 1614 C LYS A 98 4.419 15.934 -4.319 1.00 1.54 C ATOM 1615 O LYS A 98 4.271 14.733 -4.544 1.00 21.11 O ATOM 1616 CB LYS A 98 6.540 17.258 -4.233 1.00 51.01 C ATOM 1617 CG LYS A 98 7.574 16.423 -4.968 1.00 71.04 C ATOM 1618 CD LYS A 98 6.931 15.548 -6.031 1.00 53.02 C ATOM 1619 CE LYS A 98 7.967 14.984 -6.991 1.00 41.43 C ATOM 1620 NZ LYS A 98 7.387 13.944 -7.885 1.00 24.53 N ATOM 0 H LYS A 98 6.228 14.446 -3.329 1.00 63.12 H new ATOM 0 HA LYS A 98 5.118 17.050 -2.635 1.00 34.03 H new ATOM 0 HB2 LYS A 98 5.989 17.859 -4.957 1.00 51.01 H new ATOM 0 HB3 LYS A 98 7.053 17.952 -3.567 1.00 51.01 H new ATOM 0 HG2 LYS A 98 8.310 17.080 -5.432 1.00 71.04 H new ATOM 0 HG3 LYS A 98 8.110 15.796 -4.255 1.00 71.04 H new ATOM 0 HD2 LYS A 98 6.393 14.729 -5.553 1.00 53.02 H new ATOM 0 HD3 LYS A 98 6.197 16.130 -6.588 1.00 53.02 H new ATOM 0 HE2 LYS A 98 8.381 15.792 -7.594 1.00 41.43 H new ATOM 0 HE3 LYS A 98 8.793 14.555 -6.423 1.00 41.43 H new ATOM 0 HZ1 LYS A 98 8.125 13.585 -8.524 1.00 24.53 H new ATOM 0 HZ2 LYS A 98 7.015 13.161 -7.311 1.00 24.53 H new ATOM 0 HZ3 LYS A 98 6.616 14.359 -8.446 1.00 24.53 H new ATOM 1634 N ILE A 99 3.628 16.870 -4.832 1.00 13.22 N ATOM 1635 CA ILE A 99 2.515 16.531 -5.710 1.00 51.32 C ATOM 1636 C ILE A 99 2.315 17.598 -6.781 1.00 44.14 C ATOM 1637 O ILE A 99 2.464 18.792 -6.520 1.00 10.10 O ATOM 1638 CB ILE A 99 1.204 16.363 -4.919 1.00 63.00 C ATOM 1639 CG1 ILE A 99 0.014 16.269 -5.876 1.00 20.52 C ATOM 1640 CG2 ILE A 99 1.020 17.519 -3.948 1.00 13.33 C ATOM 1641 CD1 ILE A 99 -1.292 15.944 -5.185 1.00 70.22 C ATOM 0 H ILE A 99 3.737 17.869 -4.655 1.00 13.22 H new ATOM 0 HA ILE A 99 2.767 15.583 -6.186 1.00 51.32 H new ATOM 0 HB ILE A 99 1.259 15.438 -4.346 1.00 63.00 H new ATOM 0 HG12 ILE A 99 -0.091 17.215 -6.407 1.00 20.52 H new ATOM 0 HG13 ILE A 99 0.220 15.504 -6.625 1.00 20.52 H new ATOM 0 HG21 ILE A 99 0.089 17.386 -3.396 1.00 13.33 H new ATOM 0 HG22 ILE A 99 1.856 17.543 -3.249 1.00 13.33 H new ATOM 0 HG23 ILE A 99 0.983 18.457 -4.502 1.00 13.33 H new ATOM 0 HD11 ILE A 99 -2.092 15.893 -5.924 1.00 70.22 H new ATOM 0 HD12 ILE A 99 -1.206 14.984 -4.677 1.00 70.22 H new ATOM 0 HD13 ILE A 99 -1.521 16.721 -4.456 1.00 70.22 H new ATOM 1653 N LYS A 100 1.976 17.160 -7.989 1.00 21.10 N ATOM 1654 CA LYS A 100 1.752 18.076 -9.101 1.00 4.10 C ATOM 1655 C LYS A 100 0.379 17.850 -9.724 1.00 73.03 C ATOM 1656 O LYS A 100 -0.070 16.712 -9.866 1.00 4.15 O ATOM 1657 CB LYS A 100 2.841 17.899 -10.162 1.00 20.42 C ATOM 1658 CG LYS A 100 4.251 18.042 -9.616 1.00 42.02 C ATOM 1659 CD LYS A 100 4.864 19.379 -9.999 1.00 32.13 C ATOM 1660 CE LYS A 100 4.801 20.371 -8.847 1.00 61.33 C ATOM 1661 NZ LYS A 100 5.940 20.197 -7.903 1.00 52.43 N ATOM 0 H LYS A 100 1.850 16.175 -8.223 1.00 21.10 H new ATOM 0 HA LYS A 100 1.793 19.094 -8.714 1.00 4.10 H new ATOM 0 HB2 LYS A 100 2.735 16.915 -10.618 1.00 20.42 H new ATOM 0 HB3 LYS A 100 2.690 18.635 -10.952 1.00 20.42 H new ATOM 0 HG2 LYS A 100 4.233 17.946 -8.530 1.00 42.02 H new ATOM 0 HG3 LYS A 100 4.874 17.233 -9.997 1.00 42.02 H new ATOM 0 HD2 LYS A 100 5.902 19.232 -10.298 1.00 32.13 H new ATOM 0 HD3 LYS A 100 4.338 19.788 -10.862 1.00 32.13 H new ATOM 0 HE2 LYS A 100 4.808 21.387 -9.242 1.00 61.33 H new ATOM 0 HE3 LYS A 100 3.861 20.244 -8.310 1.00 61.33 H new ATOM 0 HZ1 LYS A 100 5.861 20.891 -7.132 1.00 52.43 H new ATOM 0 HZ2 LYS A 100 5.919 19.236 -7.507 1.00 52.43 H new ATOM 0 HZ3 LYS A 100 6.836 20.343 -8.410 1.00 52.43 H new ATOM 1675 N ASP A 101 -0.284 18.940 -10.096 1.00 64.23 N ATOM 1676 CA ASP A 101 -1.605 18.860 -10.707 1.00 73.12 C ATOM 1677 C ASP A 101 -1.514 19.019 -12.222 1.00 35.42 C ATOM 1678 O ASP A 101 -1.518 20.135 -12.740 1.00 42.31 O ATOM 1679 CB ASP A 101 -2.526 19.933 -10.124 1.00 1.11 C ATOM 1680 CG ASP A 101 -3.896 19.935 -10.772 1.00 52.35 C ATOM 1681 OD1 ASP A 101 -4.370 18.848 -11.164 1.00 65.20 O ATOM 1682 OD2 ASP A 101 -4.496 21.024 -10.888 1.00 3.52 O ATOM 0 H ASP A 101 0.072 19.889 -9.985 1.00 64.23 H new ATOM 0 HA ASP A 101 -2.021 17.877 -10.487 1.00 73.12 H new ATOM 0 HB2 ASP A 101 -2.635 19.771 -9.052 1.00 1.11 H new ATOM 0 HB3 ASP A 101 -2.065 20.912 -10.253 1.00 1.11 H new ATOM 1687 N ARG A 102 -1.432 17.894 -12.926 1.00 13.25 N ATOM 1688 CA ARG A 102 -1.338 17.909 -14.380 1.00 71.43 C ATOM 1689 C ARG A 102 -2.702 18.173 -15.011 1.00 11.31 C ATOM 1690 O ARG A 102 -3.748 17.970 -14.395 1.00 33.34 O ATOM 1691 CB ARG A 102 -0.778 16.579 -14.890 1.00 12.15 C ATOM 1692 CG ARG A 102 0.738 16.493 -14.827 1.00 30.21 C ATOM 1693 CD ARG A 102 1.391 17.403 -15.856 1.00 33.23 C ATOM 1694 NE ARG A 102 2.846 17.277 -15.853 1.00 73.30 N ATOM 1695 CZ ARG A 102 3.655 18.093 -16.519 1.00 62.41 C ATOM 1696 NH1 ARG A 102 3.154 19.088 -17.237 1.00 43.30 N ATOM 1697 NH2 ARG A 102 4.969 17.913 -16.467 1.00 50.43 N ATOM 0 H ARG A 102 -1.429 16.962 -12.512 1.00 13.25 H new ATOM 0 HA ARG A 102 -0.662 18.715 -14.666 1.00 71.43 H new ATOM 0 HB2 ARG A 102 -1.204 15.766 -14.303 1.00 12.15 H new ATOM 0 HB3 ARG A 102 -1.099 16.430 -15.921 1.00 12.15 H new ATOM 0 HG2 ARG A 102 1.078 16.768 -13.829 1.00 30.21 H new ATOM 0 HG3 ARG A 102 1.053 15.464 -14.998 1.00 30.21 H new ATOM 0 HD2 ARG A 102 1.008 17.162 -16.848 1.00 33.23 H new ATOM 0 HD3 ARG A 102 1.116 18.438 -15.651 1.00 33.23 H new ATOM 0 HE ARG A 102 3.264 16.521 -15.310 1.00 73.30 H new ATOM 0 HH11 ARG A 102 2.145 19.229 -17.279 1.00 43.30 H new ATOM 0 HH12 ARG A 102 3.778 19.713 -17.747 1.00 43.30 H new ATOM 0 HH21 ARG A 102 5.358 17.148 -15.916 1.00 50.43 H new ATOM 0 HH22 ARG A 102 5.590 18.540 -16.979 1.00 50.43 H new ATOM 1711 N PRO A 103 -2.692 18.639 -16.269 1.00 35.22 N ATOM 1712 CA PRO A 103 -3.920 18.941 -17.010 1.00 53.43 C ATOM 1713 C PRO A 103 -4.701 17.684 -17.377 1.00 64.15 C ATOM 1714 O PRO A 103 -4.128 16.701 -17.848 1.00 61.00 O ATOM 1715 CB PRO A 103 -3.409 19.641 -18.272 1.00 52.21 C ATOM 1716 CG PRO A 103 -2.020 19.135 -18.450 1.00 24.52 C ATOM 1717 CD PRO A 103 -1.482 18.905 -17.064 1.00 72.13 C ATOM 0 HA PRO A 103 -4.613 19.543 -16.422 1.00 53.43 H new ATOM 0 HB2 PRO A 103 -4.030 19.404 -19.135 1.00 52.21 H new ATOM 0 HB3 PRO A 103 -3.424 20.725 -18.157 1.00 52.21 H new ATOM 0 HG2 PRO A 103 -2.012 18.212 -19.030 1.00 24.52 H new ATOM 0 HG3 PRO A 103 -1.408 19.857 -18.991 1.00 24.52 H new ATOM 0 HD2 PRO A 103 -0.790 18.064 -17.036 1.00 72.13 H new ATOM 0 HD3 PRO A 103 -0.941 19.776 -16.693 1.00 72.13 H new ATOM 1725 N VAL A 104 -6.011 17.722 -17.160 1.00 35.31 N ATOM 1726 CA VAL A 104 -6.871 16.585 -17.470 1.00 1.34 C ATOM 1727 C VAL A 104 -7.005 16.392 -18.976 1.00 12.41 C ATOM 1728 O VAL A 104 -7.178 17.355 -19.724 1.00 1.13 O ATOM 1729 CB VAL A 104 -8.274 16.760 -16.858 1.00 62.43 C ATOM 1730 CG1 VAL A 104 -9.022 17.889 -17.551 1.00 23.23 C ATOM 1731 CG2 VAL A 104 -9.057 15.459 -16.944 1.00 74.43 C ATOM 0 H VAL A 104 -6.501 18.528 -16.771 1.00 35.31 H new ATOM 0 HA VAL A 104 -6.400 15.703 -17.035 1.00 1.34 H new ATOM 0 HB VAL A 104 -8.163 17.023 -15.806 1.00 62.43 H new ATOM 0 HG11 VAL A 104 -10.011 17.998 -17.105 1.00 23.23 H new ATOM 0 HG12 VAL A 104 -8.467 18.819 -17.433 1.00 23.23 H new ATOM 0 HG13 VAL A 104 -9.125 17.660 -18.612 1.00 23.23 H new ATOM 0 HG21 VAL A 104 -10.046 15.600 -16.507 1.00 74.43 H new ATOM 0 HG22 VAL A 104 -9.160 15.165 -17.988 1.00 74.43 H new ATOM 0 HG23 VAL A 104 -8.527 14.679 -16.398 1.00 74.43 H new ATOM 1741 N LYS A 105 -6.925 15.141 -19.416 1.00 14.21 N ATOM 1742 CA LYS A 105 -7.040 14.819 -20.833 1.00 42.44 C ATOM 1743 C LYS A 105 -8.499 14.622 -21.231 1.00 32.15 C ATOM 1744 O LYS A 105 -9.257 13.951 -20.530 1.00 4.40 O ATOM 1745 CB LYS A 105 -6.237 13.558 -21.157 1.00 62.54 C ATOM 1746 CG LYS A 105 -4.772 13.828 -21.453 1.00 4.04 C ATOM 1747 CD LYS A 105 -4.589 14.495 -22.806 1.00 32.41 C ATOM 1748 CE LYS A 105 -3.226 15.160 -22.920 1.00 72.33 C ATOM 1749 NZ LYS A 105 -2.123 14.160 -22.963 1.00 11.21 N ATOM 0 H LYS A 105 -6.781 14.333 -18.811 1.00 14.21 H new ATOM 0 HA LYS A 105 -6.637 15.656 -21.403 1.00 42.44 H new ATOM 0 HB2 LYS A 105 -6.308 12.867 -20.317 1.00 62.54 H new ATOM 0 HB3 LYS A 105 -6.687 13.062 -22.017 1.00 62.54 H new ATOM 0 HG2 LYS A 105 -4.354 14.465 -20.673 1.00 4.04 H new ATOM 0 HG3 LYS A 105 -4.217 12.890 -21.431 1.00 4.04 H new ATOM 0 HD2 LYS A 105 -4.700 13.753 -23.597 1.00 32.41 H new ATOM 0 HD3 LYS A 105 -5.372 15.239 -22.955 1.00 32.41 H new ATOM 0 HE2 LYS A 105 -3.195 15.773 -23.820 1.00 72.33 H new ATOM 0 HE3 LYS A 105 -3.076 15.829 -22.073 1.00 72.33 H new ATOM 0 HZ1 LYS A 105 -1.210 14.653 -23.041 1.00 11.21 H new ATOM 0 HZ2 LYS A 105 -2.136 13.591 -22.093 1.00 11.21 H new ATOM 0 HZ3 LYS A 105 -2.251 13.537 -23.786 1.00 11.21 H new ATOM 1763 N GLU A 106 -8.886 15.209 -22.359 1.00 4.11 N ATOM 1764 CA GLU A 106 -10.255 15.096 -22.848 1.00 44.02 C ATOM 1765 C GLU A 106 -10.502 13.720 -23.459 1.00 31.41 C ATOM 1766 O GLU A 106 -9.667 13.196 -24.196 1.00 60.13 O ATOM 1767 CB GLU A 106 -10.541 16.185 -23.884 1.00 60.23 C ATOM 1768 CG GLU A 106 -10.354 17.596 -23.352 1.00 75.31 C ATOM 1769 CD GLU A 106 -11.541 18.073 -22.537 1.00 44.41 C ATOM 1770 OE1 GLU A 106 -12.574 17.373 -22.526 1.00 53.00 O ATOM 1771 OE2 GLU A 106 -11.434 19.148 -21.910 1.00 14.22 O ATOM 0 H GLU A 106 -8.271 15.767 -22.951 1.00 4.11 H new ATOM 0 HA GLU A 106 -10.929 15.225 -22.001 1.00 44.02 H new ATOM 0 HB2 GLU A 106 -9.885 16.039 -24.742 1.00 60.23 H new ATOM 0 HB3 GLU A 106 -11.564 16.074 -24.243 1.00 60.23 H new ATOM 0 HG2 GLU A 106 -9.456 17.632 -22.735 1.00 75.31 H new ATOM 0 HG3 GLU A 106 -10.194 18.277 -24.188 1.00 75.31 H new ATOM 1778 N VAL A 107 -11.656 13.139 -23.146 1.00 20.43 N ATOM 1779 CA VAL A 107 -12.015 11.824 -23.663 1.00 60.41 C ATOM 1780 C VAL A 107 -13.145 11.924 -24.681 1.00 72.53 C ATOM 1781 O VAL A 107 -14.087 12.697 -24.506 1.00 12.04 O ATOM 1782 CB VAL A 107 -12.442 10.872 -22.530 1.00 13.01 C ATOM 1783 CG1 VAL A 107 -13.405 9.817 -23.053 1.00 30.11 C ATOM 1784 CG2 VAL A 107 -11.223 10.224 -21.891 1.00 74.42 C ATOM 0 H VAL A 107 -12.358 13.559 -22.537 1.00 20.43 H new ATOM 0 HA VAL A 107 -11.126 11.422 -24.149 1.00 60.41 H new ATOM 0 HB VAL A 107 -12.958 11.453 -21.766 1.00 13.01 H new ATOM 0 HG11 VAL A 107 -13.696 9.154 -22.238 1.00 30.11 H new ATOM 0 HG12 VAL A 107 -14.292 10.303 -23.459 1.00 30.11 H new ATOM 0 HG13 VAL A 107 -12.918 9.237 -23.837 1.00 30.11 H new ATOM 0 HG21 VAL A 107 -11.543 9.555 -21.093 1.00 74.42 H new ATOM 0 HG22 VAL A 107 -10.677 9.656 -22.644 1.00 74.42 H new ATOM 0 HG23 VAL A 107 -10.574 10.997 -21.478 1.00 74.42 H new ATOM 1794 N HIS A 108 -13.046 11.135 -25.747 1.00 44.42 N ATOM 1795 CA HIS A 108 -14.061 11.134 -26.794 1.00 41.05 C ATOM 1796 C HIS A 108 -14.792 9.796 -26.840 1.00 74.12 C ATOM 1797 O HIS A 108 -14.444 8.863 -26.117 1.00 41.14 O ATOM 1798 CB HIS A 108 -13.423 11.426 -28.153 1.00 1.41 C ATOM 1799 CG HIS A 108 -12.848 12.805 -28.260 1.00 51.33 C ATOM 1800 ND1 HIS A 108 -13.586 13.899 -28.662 1.00 23.10 N ATOM 1801 CD2 HIS A 108 -11.599 13.265 -28.014 1.00 52.51 C ATOM 1802 CE1 HIS A 108 -12.815 14.972 -28.660 1.00 21.22 C ATOM 1803 NE2 HIS A 108 -11.605 14.615 -28.270 1.00 24.40 N ATOM 0 H HIS A 108 -12.273 10.489 -25.908 1.00 44.42 H new ATOM 0 HA HIS A 108 -14.785 11.916 -26.565 1.00 41.05 H new ATOM 0 HB2 HIS A 108 -12.635 10.697 -28.339 1.00 1.41 H new ATOM 0 HB3 HIS A 108 -14.172 11.292 -28.933 1.00 1.41 H new ATOM 0 HD2 HIS A 108 -10.755 12.680 -27.679 1.00 52.51 H new ATOM 0 HE1 HIS A 108 -13.122 15.971 -28.931 1.00 21.22 H new ATOM 0 HE2 HIS A 108 -10.805 15.240 -28.174 1.00 24.40 H new ATOM 1811 N GLU A 109 -15.808 9.711 -27.694 1.00 21.11 N ATOM 1812 CA GLU A 109 -16.589 8.487 -27.832 1.00 2.15 C ATOM 1813 C GLU A 109 -15.858 7.471 -28.704 1.00 71.33 C ATOM 1814 O GLU A 109 -15.582 7.728 -29.875 1.00 41.53 O ATOM 1815 CB GLU A 109 -17.962 8.797 -28.431 1.00 71.21 C ATOM 1816 CG GLU A 109 -18.771 9.794 -27.618 1.00 24.42 C ATOM 1817 CD GLU A 109 -18.609 11.218 -28.113 1.00 21.23 C ATOM 1818 OE1 GLU A 109 -18.888 11.466 -29.305 1.00 2.25 O ATOM 1819 OE2 GLU A 109 -18.204 12.083 -27.309 1.00 45.32 O ATOM 0 H GLU A 109 -16.109 10.474 -28.300 1.00 21.11 H new ATOM 0 HA GLU A 109 -16.723 8.057 -26.839 1.00 2.15 H new ATOM 0 HB2 GLU A 109 -17.829 9.187 -29.440 1.00 71.21 H new ATOM 0 HB3 GLU A 109 -18.528 7.870 -28.520 1.00 71.21 H new ATOM 0 HG2 GLU A 109 -19.825 9.518 -27.656 1.00 24.42 H new ATOM 0 HG3 GLU A 109 -18.464 9.739 -26.573 1.00 24.42 H new ATOM 1826 N GLU A 110 -15.548 6.316 -28.124 1.00 70.40 N ATOM 1827 CA GLU A 110 -14.848 5.261 -28.848 1.00 52.25 C ATOM 1828 C GLU A 110 -14.389 4.160 -27.897 1.00 74.32 C ATOM 1829 O GLU A 110 -14.791 4.122 -26.734 1.00 2.21 O ATOM 1830 CB GLU A 110 -13.645 5.838 -29.597 1.00 4.24 C ATOM 1831 CG GLU A 110 -13.759 5.732 -31.108 1.00 14.20 C ATOM 1832 CD GLU A 110 -13.173 6.934 -31.823 1.00 71.13 C ATOM 1833 OE1 GLU A 110 -12.084 7.391 -31.418 1.00 42.32 O ATOM 1834 OE2 GLU A 110 -13.803 7.417 -32.787 1.00 60.22 O ATOM 0 H GLU A 110 -15.770 6.087 -27.155 1.00 70.40 H new ATOM 0 HA GLU A 110 -15.542 4.828 -29.568 1.00 52.25 H new ATOM 0 HB2 GLU A 110 -13.526 6.886 -29.323 1.00 4.24 H new ATOM 0 HB3 GLU A 110 -12.743 5.319 -29.272 1.00 4.24 H new ATOM 0 HG2 GLU A 110 -13.249 4.829 -31.445 1.00 14.20 H new ATOM 0 HG3 GLU A 110 -14.808 5.626 -31.383 1.00 14.20 H new ATOM 1841 N TYR A 111 -13.547 3.265 -28.401 1.00 22.23 N ATOM 1842 CA TYR A 111 -13.035 2.160 -27.598 1.00 12.42 C ATOM 1843 C TYR A 111 -11.519 2.250 -27.451 1.00 14.35 C ATOM 1844 O TYR A 111 -10.772 1.657 -28.229 1.00 55.21 O ATOM 1845 CB TYR A 111 -13.419 0.822 -28.231 1.00 22.33 C ATOM 1846 CG TYR A 111 -14.905 0.545 -28.209 1.00 11.24 C ATOM 1847 CD1 TYR A 111 -15.762 1.173 -29.104 1.00 71.10 C ATOM 1848 CD2 TYR A 111 -15.452 -0.345 -27.292 1.00 53.15 C ATOM 1849 CE1 TYR A 111 -17.121 0.924 -29.087 1.00 23.33 C ATOM 1850 CE2 TYR A 111 -16.810 -0.601 -27.269 1.00 24.32 C ATOM 1851 CZ TYR A 111 -17.640 0.036 -28.168 1.00 24.25 C ATOM 1852 OH TYR A 111 -18.992 -0.216 -28.148 1.00 33.20 O ATOM 0 H TYR A 111 -13.204 3.283 -29.362 1.00 22.23 H new ATOM 0 HA TYR A 111 -13.482 2.227 -26.606 1.00 12.42 H new ATOM 0 HB2 TYR A 111 -13.070 0.805 -29.264 1.00 22.33 H new ATOM 0 HB3 TYR A 111 -12.901 0.019 -27.706 1.00 22.33 H new ATOM 0 HD1 TYR A 111 -15.359 1.868 -29.826 1.00 71.10 H new ATOM 0 HD2 TYR A 111 -14.805 -0.845 -26.586 1.00 53.15 H new ATOM 0 HE1 TYR A 111 -17.773 1.422 -29.789 1.00 23.33 H new ATOM 0 HE2 TYR A 111 -17.219 -1.296 -26.551 1.00 24.32 H new ATOM 0 HH TYR A 111 -19.193 -0.865 -27.442 1.00 33.20 H new ATOM 1862 N ASP A 112 -11.073 2.996 -26.446 1.00 24.10 N ATOM 1863 CA ASP A 112 -9.646 3.163 -26.194 1.00 11.43 C ATOM 1864 C ASP A 112 -9.295 2.753 -24.767 1.00 2.20 C ATOM 1865 O ASP A 112 -8.610 1.753 -24.548 1.00 3.21 O ATOM 1866 CB ASP A 112 -9.230 4.615 -26.437 1.00 73.03 C ATOM 1867 CG ASP A 112 -8.738 4.846 -27.852 1.00 41.53 C ATOM 1868 OD1 ASP A 112 -7.924 4.033 -28.338 1.00 42.22 O ATOM 1869 OD2 ASP A 112 -9.167 5.840 -28.474 1.00 53.43 O ATOM 0 H ASP A 112 -11.678 3.494 -25.793 1.00 24.10 H new ATOM 0 HA ASP A 112 -9.102 2.517 -26.883 1.00 11.43 H new ATOM 0 HB2 ASP A 112 -10.077 5.271 -26.238 1.00 73.03 H new ATOM 0 HB3 ASP A 112 -8.444 4.888 -25.733 1.00 73.03 H new ATOM 1874 N LEU A 113 -9.767 3.532 -23.800 1.00 30.12 N ATOM 1875 CA LEU A 113 -9.502 3.251 -22.393 1.00 72.51 C ATOM 1876 C LEU A 113 -10.043 1.879 -22.001 1.00 12.43 C ATOM 1877 O LEU A 113 -10.434 1.087 -22.858 1.00 14.20 O ATOM 1878 CB LEU A 113 -10.129 4.331 -21.510 1.00 32.42 C ATOM 1879 CG LEU A 113 -11.650 4.465 -21.591 1.00 72.31 C ATOM 1880 CD1 LEU A 113 -12.245 4.646 -20.203 1.00 60.22 C ATOM 1881 CD2 LEU A 113 -12.036 5.627 -22.494 1.00 44.23 C ATOM 0 H LEU A 113 -10.335 4.363 -23.964 1.00 30.12 H new ATOM 0 HA LEU A 113 -8.422 3.251 -22.244 1.00 72.51 H new ATOM 0 HB2 LEU A 113 -9.857 4.128 -20.474 1.00 32.42 H new ATOM 0 HB3 LEU A 113 -9.685 5.291 -21.774 1.00 32.42 H new ATOM 0 HG LEU A 113 -12.054 3.548 -22.020 1.00 72.31 H new ATOM 0 HD11 LEU A 113 -13.328 4.740 -20.281 1.00 60.22 H new ATOM 0 HD12 LEU A 113 -11.999 3.782 -19.586 1.00 60.22 H new ATOM 0 HD13 LEU A 113 -11.835 5.547 -19.746 1.00 60.22 H new ATOM 0 HD21 LEU A 113 -13.122 5.707 -22.540 1.00 44.23 H new ATOM 0 HD22 LEU A 113 -11.620 6.552 -22.094 1.00 44.23 H new ATOM 0 HD23 LEU A 113 -11.642 5.456 -23.496 1.00 44.23 H new ATOM 1893 N TRP A 114 -10.064 1.607 -20.701 1.00 50.50 N ATOM 1894 CA TRP A 114 -10.560 0.332 -20.195 1.00 44.40 C ATOM 1895 C TRP A 114 -12.012 0.112 -20.604 1.00 22.12 C ATOM 1896 O TRP A 114 -12.390 -0.985 -21.014 1.00 42.34 O ATOM 1897 CB TRP A 114 -10.432 0.281 -18.672 1.00 31.33 C ATOM 1898 CG TRP A 114 -9.049 -0.057 -18.202 1.00 52.44 C ATOM 1899 CD1 TRP A 114 -8.300 0.636 -17.295 1.00 31.15 C ATOM 1900 CD2 TRP A 114 -8.250 -1.169 -18.619 1.00 73.24 C ATOM 1901 NE1 TRP A 114 -7.084 0.021 -17.122 1.00 65.10 N ATOM 1902 CE2 TRP A 114 -7.029 -1.089 -17.923 1.00 24.12 C ATOM 1903 CE3 TRP A 114 -8.449 -2.226 -19.512 1.00 23.24 C ATOM 1904 CZ2 TRP A 114 -6.012 -2.025 -18.093 1.00 71.13 C ATOM 1905 CZ3 TRP A 114 -7.439 -3.154 -19.680 1.00 22.31 C ATOM 1906 CH2 TRP A 114 -6.233 -3.050 -18.973 1.00 54.52 C ATOM 0 H TRP A 114 -9.744 2.252 -19.979 1.00 50.50 H new ATOM 0 HA TRP A 114 -9.956 -0.464 -20.630 1.00 44.40 H new ATOM 0 HB2 TRP A 114 -10.723 1.246 -18.258 1.00 31.33 H new ATOM 0 HB3 TRP A 114 -11.132 -0.458 -18.280 1.00 31.33 H new ATOM 0 HD1 TRP A 114 -8.617 1.535 -16.788 1.00 31.15 H new ATOM 0 HE1 TRP A 114 -6.342 0.339 -16.498 1.00 65.10 H new ATOM 0 HE3 TRP A 114 -9.375 -2.316 -20.060 1.00 23.24 H new ATOM 0 HZ2 TRP A 114 -5.082 -1.945 -17.550 1.00 71.13 H new ATOM 0 HZ3 TRP A 114 -7.581 -3.974 -20.368 1.00 22.31 H new ATOM 0 HH2 TRP A 114 -5.464 -3.793 -19.125 1.00 54.52 H new ATOM 1917 N GLU A 115 -12.820 1.161 -20.489 1.00 34.32 N ATOM 1918 CA GLU A 115 -14.232 1.079 -20.847 1.00 3.24 C ATOM 1919 C GLU A 115 -14.845 -0.225 -20.346 1.00 35.13 C ATOM 1920 O GLU A 115 -15.133 -1.129 -21.130 1.00 35.41 O ATOM 1921 CB GLU A 115 -14.403 1.187 -22.363 1.00 73.02 C ATOM 1922 CG GLU A 115 -14.676 2.602 -22.846 1.00 33.42 C ATOM 1923 CD GLU A 115 -16.128 2.818 -23.227 1.00 61.02 C ATOM 1924 OE1 GLU A 115 -16.965 2.971 -22.314 1.00 13.22 O ATOM 1925 OE2 GLU A 115 -16.426 2.834 -24.440 1.00 1.31 O ATOM 0 H GLU A 115 -12.522 2.076 -20.151 1.00 34.32 H new ATOM 0 HA GLU A 115 -14.751 1.911 -20.370 1.00 3.24 H new ATOM 0 HB2 GLU A 115 -13.502 0.814 -22.849 1.00 73.02 H new ATOM 0 HB3 GLU A 115 -15.224 0.541 -22.674 1.00 73.02 H new ATOM 0 HG2 GLU A 115 -14.401 3.309 -22.063 1.00 33.42 H new ATOM 0 HG3 GLU A 115 -14.043 2.817 -23.707 1.00 33.42 H new ATOM 1932 N ASP A 116 -15.042 -0.314 -19.035 1.00 30.31 N ATOM 1933 CA ASP A 116 -15.622 -1.507 -18.428 1.00 42.12 C ATOM 1934 C ASP A 116 -15.740 -1.345 -16.916 1.00 4.21 C ATOM 1935 O ASP A 116 -16.829 -1.393 -16.345 1.00 13.42 O ATOM 1936 CB ASP A 116 -14.774 -2.736 -18.757 1.00 65.32 C ATOM 1937 CG ASP A 116 -15.490 -3.704 -19.678 1.00 63.25 C ATOM 1938 OD1 ASP A 116 -16.629 -4.100 -19.354 1.00 52.21 O ATOM 1939 OD2 ASP A 116 -14.911 -4.065 -20.724 1.00 71.53 O ATOM 0 H ASP A 116 -14.809 0.425 -18.372 1.00 30.31 H new ATOM 0 HA ASP A 116 -16.622 -1.644 -18.840 1.00 42.12 H new ATOM 0 HB2 ASP A 116 -13.842 -2.416 -19.224 1.00 65.32 H new ATOM 0 HB3 ASP A 116 -14.508 -3.248 -17.832 1.00 65.32 H new ATOM 1944 N PRO A 117 -14.592 -1.149 -16.250 1.00 63.22 N ATOM 1945 CA PRO A 117 -14.540 -0.977 -14.795 1.00 42.34 C ATOM 1946 C PRO A 117 -15.140 0.352 -14.347 1.00 61.44 C ATOM 1947 O PRO A 117 -15.997 0.389 -13.464 1.00 53.54 O ATOM 1948 CB PRO A 117 -13.041 -1.018 -14.487 1.00 11.44 C ATOM 1949 CG PRO A 117 -12.382 -0.581 -15.749 1.00 71.55 C ATOM 1950 CD PRO A 117 -13.256 -1.081 -16.867 1.00 11.15 C ATOM 0 HA PRO A 117 -15.117 -1.740 -14.273 1.00 42.34 H new ATOM 0 HB2 PRO A 117 -12.789 -0.355 -13.659 1.00 11.44 H new ATOM 0 HB3 PRO A 117 -12.723 -2.021 -14.201 1.00 11.44 H new ATOM 0 HG2 PRO A 117 -12.286 0.504 -15.784 1.00 71.55 H new ATOM 0 HG3 PRO A 117 -11.376 -0.992 -15.827 1.00 71.55 H new ATOM 0 HD2 PRO A 117 -13.242 -0.405 -17.722 1.00 11.15 H new ATOM 0 HD3 PRO A 117 -12.929 -2.057 -17.227 1.00 11.15 H new ATOM 1958 N ILE A 118 -14.685 1.438 -14.962 1.00 4.34 N ATOM 1959 CA ILE A 118 -15.178 2.768 -14.626 1.00 55.13 C ATOM 1960 C ILE A 118 -16.527 3.036 -15.286 1.00 10.12 C ATOM 1961 O ILE A 118 -17.228 3.982 -14.926 1.00 32.21 O ATOM 1962 CB ILE A 118 -14.183 3.863 -15.055 1.00 35.21 C ATOM 1963 CG1 ILE A 118 -14.328 4.157 -16.549 1.00 60.05 C ATOM 1964 CG2 ILE A 118 -12.759 3.441 -14.728 1.00 2.11 C ATOM 1965 CD1 ILE A 118 -13.918 3.001 -17.435 1.00 41.42 C ATOM 0 H ILE A 118 -13.976 1.423 -15.695 1.00 4.34 H new ATOM 0 HA ILE A 118 -15.293 2.798 -13.542 1.00 55.13 H new ATOM 0 HB ILE A 118 -14.407 4.775 -14.501 1.00 35.21 H new ATOM 0 HG12 ILE A 118 -15.365 4.417 -16.761 1.00 60.05 H new ATOM 0 HG13 ILE A 118 -13.724 5.029 -16.800 1.00 60.05 H new ATOM 0 HG21 ILE A 118 -12.067 4.225 -15.037 1.00 2.11 H new ATOM 0 HG22 ILE A 118 -12.666 3.277 -13.654 1.00 2.11 H new ATOM 0 HG23 ILE A 118 -12.522 2.518 -15.258 1.00 2.11 H new ATOM 0 HD11 ILE A 118 -14.047 3.280 -18.481 1.00 41.42 H new ATOM 0 HD12 ILE A 118 -12.872 2.755 -17.251 1.00 41.42 H new ATOM 0 HD13 ILE A 118 -14.539 2.134 -17.212 1.00 41.42 H new ATOM 1977 N TRP A 119 -16.884 2.197 -16.251 1.00 72.10 N ATOM 1978 CA TRP A 119 -18.151 2.342 -16.960 1.00 4.20 C ATOM 1979 C TRP A 119 -19.285 1.673 -16.191 1.00 64.14 C ATOM 1980 O TRP A 119 -20.451 2.030 -16.354 1.00 1.54 O ATOM 1981 CB TRP A 119 -18.045 1.742 -18.363 1.00 0.11 C ATOM 1982 CG TRP A 119 -19.145 2.182 -19.281 1.00 62.33 C ATOM 1983 CD1 TRP A 119 -20.059 1.383 -19.907 1.00 24.50 C ATOM 1984 CD2 TRP A 119 -19.444 3.524 -19.678 1.00 55.24 C ATOM 1985 NE1 TRP A 119 -20.908 2.148 -20.669 1.00 73.52 N ATOM 1986 CE2 TRP A 119 -20.553 3.465 -20.545 1.00 72.42 C ATOM 1987 CE3 TRP A 119 -18.886 4.771 -19.384 1.00 63.15 C ATOM 1988 CZ2 TRP A 119 -21.110 4.604 -21.120 1.00 34.20 C ATOM 1989 CZ3 TRP A 119 -19.440 5.901 -19.956 1.00 24.50 C ATOM 1990 CH2 TRP A 119 -20.543 5.811 -20.815 1.00 11.20 C ATOM 0 H TRP A 119 -16.315 1.409 -16.561 1.00 72.10 H new ATOM 0 HA TRP A 119 -18.373 3.406 -17.043 1.00 4.20 H new ATOM 0 HB2 TRP A 119 -17.085 2.020 -18.798 1.00 0.11 H new ATOM 0 HB3 TRP A 119 -18.057 0.655 -18.287 1.00 0.11 H new ATOM 0 HD1 TRP A 119 -20.107 0.308 -19.816 1.00 24.50 H new ATOM 0 HE1 TRP A 119 -21.678 1.793 -21.236 1.00 73.52 H new ATOM 0 HE3 TRP A 119 -18.037 4.851 -18.721 1.00 63.15 H new ATOM 0 HZ2 TRP A 119 -21.960 4.537 -21.783 1.00 34.20 H new ATOM 0 HZ3 TRP A 119 -19.015 6.870 -19.737 1.00 24.50 H new ATOM 0 HH2 TRP A 119 -20.954 6.712 -21.245 1.00 11.20 H new ATOM 2001 N GLN A 120 -18.934 0.701 -15.355 1.00 52.11 N ATOM 2002 CA GLN A 120 -19.924 -0.018 -14.562 1.00 55.41 C ATOM 2003 C GLN A 120 -19.417 -0.257 -13.144 1.00 1.20 C ATOM 2004 O GLN A 120 -20.005 0.223 -12.174 1.00 43.24 O ATOM 2005 CB GLN A 120 -20.268 -1.352 -15.225 1.00 74.53 C ATOM 2006 CG GLN A 120 -21.324 -2.150 -14.476 1.00 25.11 C ATOM 2007 CD GLN A 120 -22.016 -3.173 -15.355 1.00 44.11 C ATOM 2008 OE1 GLN A 120 -23.054 -2.892 -15.955 1.00 20.15 O ATOM 2009 NE2 GLN A 120 -21.443 -4.368 -15.437 1.00 22.01 N ATOM 0 H GLN A 120 -17.972 0.394 -15.209 1.00 52.11 H new ATOM 0 HA GLN A 120 -20.824 0.595 -14.508 1.00 55.41 H new ATOM 0 HB2 GLN A 120 -20.619 -1.164 -16.240 1.00 74.53 H new ATOM 0 HB3 GLN A 120 -19.362 -1.952 -15.307 1.00 74.53 H new ATOM 0 HG2 GLN A 120 -20.859 -2.658 -13.631 1.00 25.11 H new ATOM 0 HG3 GLN A 120 -22.068 -1.466 -14.066 1.00 25.11 H new ATOM 0 HE21 GLN A 120 -20.583 -4.558 -14.923 1.00 22.01 H new ATOM 0 HE22 GLN A 120 -21.863 -5.096 -16.014 1.00 22.01 H new ATOM 2018 N TYR A 121 -18.323 -1.001 -13.030 1.00 62.44 N ATOM 2019 CA TYR A 121 -17.738 -1.307 -11.730 1.00 43.32 C ATOM 2020 C TYR A 121 -17.547 -0.037 -10.907 1.00 2.50 C ATOM 2021 O TYR A 121 -17.482 1.066 -11.452 1.00 64.31 O ATOM 2022 CB TYR A 121 -16.396 -2.020 -11.906 1.00 71.22 C ATOM 2023 CG TYR A 121 -16.130 -3.076 -10.857 1.00 63.12 C ATOM 2024 CD1 TYR A 121 -17.023 -4.120 -10.652 1.00 73.20 C ATOM 2025 CD2 TYR A 121 -14.985 -3.029 -10.071 1.00 34.22 C ATOM 2026 CE1 TYR A 121 -16.785 -5.087 -9.694 1.00 45.14 C ATOM 2027 CE2 TYR A 121 -14.738 -3.992 -9.112 1.00 23.21 C ATOM 2028 CZ TYR A 121 -15.640 -5.019 -8.927 1.00 52.23 C ATOM 2029 OH TYR A 121 -15.398 -5.979 -7.972 1.00 61.31 O ATOM 0 H TYR A 121 -17.823 -1.404 -13.823 1.00 62.44 H new ATOM 0 HA TYR A 121 -18.424 -1.965 -11.197 1.00 43.32 H new ATOM 0 HB2 TYR A 121 -16.367 -2.484 -12.892 1.00 71.22 H new ATOM 0 HB3 TYR A 121 -15.595 -1.281 -11.877 1.00 71.22 H new ATOM 0 HD1 TYR A 121 -17.919 -4.177 -11.252 1.00 73.20 H new ATOM 0 HD2 TYR A 121 -14.276 -2.226 -10.212 1.00 34.22 H new ATOM 0 HE1 TYR A 121 -17.491 -5.891 -9.547 1.00 45.14 H new ATOM 0 HE2 TYR A 121 -13.843 -3.941 -8.510 1.00 23.21 H new ATOM 0 HH TYR A 121 -14.549 -5.786 -7.521 1.00 61.31 H new ATOM 2039 N ILE A 122 -17.457 -0.200 -9.591 1.00 73.04 N ATOM 2040 CA ILE A 122 -17.272 0.932 -8.692 1.00 50.12 C ATOM 2041 C ILE A 122 -18.321 2.011 -8.943 1.00 24.40 C ATOM 2042 O ILE A 122 -18.120 2.909 -9.761 1.00 22.43 O ATOM 2043 CB ILE A 122 -15.870 1.550 -8.846 1.00 64.23 C ATOM 2044 CG1 ILE A 122 -14.793 0.506 -8.542 1.00 43.32 C ATOM 2045 CG2 ILE A 122 -15.719 2.756 -7.932 1.00 0.40 C ATOM 2046 CD1 ILE A 122 -13.613 0.563 -9.487 1.00 62.41 C ATOM 0 H ILE A 122 -17.509 -1.105 -9.124 1.00 73.04 H new ATOM 0 HA ILE A 122 -17.382 0.550 -7.677 1.00 50.12 H new ATOM 0 HB ILE A 122 -15.747 1.883 -9.877 1.00 64.23 H new ATOM 0 HG12 ILE A 122 -14.438 0.648 -7.521 1.00 43.32 H new ATOM 0 HG13 ILE A 122 -15.238 -0.488 -8.589 1.00 43.32 H new ATOM 0 HG21 ILE A 122 -14.723 3.181 -8.053 1.00 0.40 H new ATOM 0 HG22 ILE A 122 -16.467 3.505 -8.191 1.00 0.40 H new ATOM 0 HG23 ILE A 122 -15.859 2.447 -6.896 1.00 0.40 H new ATOM 0 HD11 ILE A 122 -12.889 -0.205 -9.212 1.00 62.41 H new ATOM 0 HD12 ILE A 122 -13.955 0.390 -10.507 1.00 62.41 H new ATOM 0 HD13 ILE A 122 -13.143 1.544 -9.423 1.00 62.41 H new TER 2058 ILE A 122