USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=20 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 74 LYS NZ :NH3+ -145:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Set 2.1: A 48 GLN : amide:sc= -0.448 X(o=-1.5,f=-1.4) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.29 (180deg=0.169) USER MOD Single : A 2 GLN : amide:sc= -1.35 K(o=-1.4,f=-2) USER MOD Single : A 3 LYS NZ :NH3+ -137:sc= -0.154 (180deg=-2.64!) USER MOD Single : A 10 GLN : amide:sc= -1.18 K(o=-1.2,f=-8.6!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0983 X(o=-0.098,f=-0.0007) USER MOD Single : A 18 SER OG : rot -62:sc= 1.12 USER MOD Single : A 21 GLN : amide:sc= -0.353 K(o=-0.35,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 29 SER OG : rot 84:sc= 0.843 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0427 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00459 X(o=-0.0046,f=0) USER MOD Single : A 57 SER OG : rot 150:sc= -0.102 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 59:sc= 0.275 USER MOD Single : A 64 HIS : no HD1:sc= -1.65 X(o=-1.6,f=-1.3) 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 79 SER OG : rot -136:sc= 0.237 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 83 TYR OH : rot 17:sc= -0.765 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 146:sc= -0.143 (180deg=-0.657) USER MOD Single : A 88 THR OG1 : rot 87:sc= 0.249 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= -0.0219 X(o=-0.022,f=0) 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 X(o=0,f=0) 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=-0.2) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc=-0.00513 X(o=-0.0051,f=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.891 -2.518 -1.128 1.00 34.24 N ATOM 2 CA MET A 1 3.782 -1.464 -1.598 1.00 53.10 C ATOM 3 C MET A 1 3.612 -1.238 -3.097 1.00 4.40 C ATOM 4 O MET A 1 3.156 -0.178 -3.525 1.00 70.04 O ATOM 5 CB MET A 1 5.237 -1.819 -1.285 1.00 74.12 C ATOM 6 CG MET A 1 5.688 -1.372 0.096 1.00 51.24 C ATOM 7 SD MET A 1 5.119 -2.475 1.404 1.00 54.44 S ATOM 8 CE MET A 1 4.767 -1.299 2.708 1.00 34.13 C ATOM 0 H1 MET A 1 3.222 -2.866 -0.206 1.00 34.24 H new ATOM 0 H2 MET A 1 1.927 -2.140 -1.030 1.00 34.24 H new ATOM 0 H3 MET A 1 2.888 -3.301 -1.813 1.00 34.24 H new ATOM 0 HA MET A 1 3.521 -0.543 -1.077 1.00 53.10 H new ATOM 0 HB2 MET A 1 5.365 -2.898 -1.368 1.00 74.12 H new ATOM 0 HB3 MET A 1 5.883 -1.362 -2.035 1.00 74.12 H new ATOM 0 HG2 MET A 1 6.776 -1.319 0.119 1.00 51.24 H new ATOM 0 HG3 MET A 1 5.316 -0.366 0.287 1.00 51.24 H new ATOM 0 HE1 MET A 1 4.404 -1.830 3.588 1.00 34.13 H new ATOM 0 HE2 MET A 1 5.676 -0.754 2.962 1.00 34.13 H new ATOM 0 HE3 MET A 1 4.006 -0.596 2.369 1.00 34.13 H new ATOM 18 N GLN A 2 3.983 -2.239 -3.888 1.00 21.31 N ATOM 19 CA GLN A 2 3.873 -2.148 -5.339 1.00 14.51 C ATOM 20 C GLN A 2 2.516 -2.657 -5.815 1.00 23.52 C ATOM 21 O GLN A 2 1.806 -3.344 -5.080 1.00 11.54 O ATOM 22 CB GLN A 2 4.994 -2.944 -6.008 1.00 72.13 C ATOM 23 CG GLN A 2 6.374 -2.340 -5.806 1.00 30.14 C ATOM 24 CD GLN A 2 6.497 -0.951 -6.401 1.00 74.42 C ATOM 25 OE1 GLN A 2 6.245 0.049 -5.729 1.00 51.33 O ATOM 26 NE2 GLN A 2 6.885 -0.883 -7.669 1.00 62.01 N ATOM 0 H GLN A 2 4.363 -3.123 -3.549 1.00 21.31 H new ATOM 0 HA GLN A 2 3.966 -1.099 -5.620 1.00 14.51 H new ATOM 0 HB2 GLN A 2 4.991 -3.961 -5.615 1.00 72.13 H new ATOM 0 HB3 GLN A 2 4.790 -3.015 -7.076 1.00 72.13 H new ATOM 0 HG2 GLN A 2 6.594 -2.295 -4.739 1.00 30.14 H new ATOM 0 HG3 GLN A 2 7.121 -2.992 -6.258 1.00 30.14 H new ATOM 0 HE21 GLN A 2 7.083 -1.738 -8.188 1.00 62.01 H new ATOM 0 HE22 GLN A 2 6.985 0.025 -8.124 1.00 62.01 H new ATOM 35 N LYS A 3 2.162 -2.318 -7.050 1.00 2.34 N ATOM 36 CA LYS A 3 0.891 -2.741 -7.625 1.00 64.25 C ATOM 37 C LYS A 3 1.113 -3.740 -8.757 1.00 32.23 C ATOM 38 O LYS A 3 0.761 -4.913 -8.640 1.00 34.11 O ATOM 39 CB LYS A 3 0.115 -1.530 -8.146 1.00 15.45 C ATOM 40 CG LYS A 3 -0.614 -0.761 -7.057 1.00 1.04 C ATOM 41 CD LYS A 3 -2.016 -1.303 -6.834 1.00 40.33 C ATOM 42 CE LYS A 3 -2.962 -0.217 -6.346 1.00 11.35 C ATOM 43 NZ LYS A 3 -2.428 0.486 -5.146 1.00 64.03 N ATOM 0 H LYS A 3 2.738 -1.751 -7.672 1.00 2.34 H new ATOM 0 HA LYS A 3 0.310 -3.228 -6.841 1.00 64.25 H new ATOM 0 HB2 LYS A 3 0.806 -0.857 -8.654 1.00 15.45 H new ATOM 0 HB3 LYS A 3 -0.608 -1.865 -8.889 1.00 15.45 H new ATOM 0 HG2 LYS A 3 -0.048 -0.820 -6.127 1.00 1.04 H new ATOM 0 HG3 LYS A 3 -0.670 0.293 -7.330 1.00 1.04 H new ATOM 0 HD2 LYS A 3 -2.396 -1.727 -7.764 1.00 40.33 H new ATOM 0 HD3 LYS A 3 -1.983 -2.113 -6.105 1.00 40.33 H new ATOM 0 HE2 LYS A 3 -3.129 0.505 -7.145 1.00 11.35 H new ATOM 0 HE3 LYS A 3 -3.930 -0.659 -6.108 1.00 11.35 H new ATOM 0 HZ1 LYS A 3 -3.193 0.622 -4.454 1.00 64.03 H new ATOM 0 HZ2 LYS A 3 -1.671 -0.084 -4.718 1.00 64.03 H new ATOM 0 HZ3 LYS A 3 -2.047 1.412 -5.427 1.00 64.03 H new ATOM 57 N GLY A 4 1.700 -3.267 -9.852 1.00 22.02 N ATOM 58 CA GLY A 4 1.960 -4.133 -10.987 1.00 54.44 C ATOM 59 C GLY A 4 0.687 -4.571 -11.685 1.00 21.03 C ATOM 60 O GLY A 4 0.690 -5.537 -12.449 1.00 22.33 O ATOM 0 H GLY A 4 2.000 -2.300 -9.973 1.00 22.02 H new ATOM 0 HA2 GLY A 4 2.600 -3.612 -11.699 1.00 54.44 H new ATOM 0 HA3 GLY A 4 2.508 -5.013 -10.651 1.00 54.44 H new ATOM 64 N LEU A 5 -0.404 -3.861 -11.421 1.00 75.43 N ATOM 65 CA LEU A 5 -1.691 -4.184 -12.028 1.00 54.51 C ATOM 66 C LEU A 5 -2.391 -2.922 -12.523 1.00 41.24 C ATOM 67 O LEU A 5 -2.085 -1.816 -12.078 1.00 71.21 O ATOM 68 CB LEU A 5 -2.583 -4.913 -11.022 1.00 73.54 C ATOM 69 CG LEU A 5 -2.516 -6.441 -11.050 1.00 51.25 C ATOM 70 CD1 LEU A 5 -2.909 -6.967 -12.422 1.00 61.31 C ATOM 71 CD2 LEU A 5 -1.122 -6.920 -10.672 1.00 74.41 C ATOM 0 H LEU A 5 -0.424 -3.059 -10.791 1.00 75.43 H new ATOM 0 HA LEU A 5 -1.509 -4.836 -12.882 1.00 54.51 H new ATOM 0 HB2 LEU A 5 -2.318 -4.576 -10.020 1.00 73.54 H new ATOM 0 HB3 LEU A 5 -3.616 -4.611 -11.197 1.00 73.54 H new ATOM 0 HG LEU A 5 -3.223 -6.831 -10.318 1.00 51.25 H new ATOM 0 HD11 LEU A 5 -2.856 -8.056 -12.423 1.00 61.31 H new ATOM 0 HD12 LEU A 5 -3.927 -6.653 -12.654 1.00 61.31 H new ATOM 0 HD13 LEU A 5 -2.227 -6.569 -13.173 1.00 61.31 H new ATOM 0 HD21 LEU A 5 -1.092 -8.009 -10.697 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.396 -6.521 -11.380 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -0.878 -6.573 -9.668 1.00 74.41 H new ATOM 83 N GLU A 6 -3.332 -3.096 -13.446 1.00 34.44 N ATOM 84 CA GLU A 6 -4.076 -1.971 -14.000 1.00 31.23 C ATOM 85 C GLU A 6 -5.444 -1.843 -13.336 1.00 32.41 C ATOM 86 O GLU A 6 -6.180 -2.823 -13.214 1.00 54.12 O ATOM 87 CB GLU A 6 -4.244 -2.137 -15.512 1.00 31.15 C ATOM 88 CG GLU A 6 -2.978 -2.591 -16.218 1.00 71.34 C ATOM 89 CD GLU A 6 -3.196 -2.850 -17.696 1.00 72.45 C ATOM 90 OE1 GLU A 6 -3.947 -3.792 -18.029 1.00 1.44 O ATOM 91 OE2 GLU A 6 -2.617 -2.113 -18.521 1.00 5.15 O ATOM 0 H GLU A 6 -3.597 -4.005 -13.826 1.00 34.44 H new ATOM 0 HA GLU A 6 -3.509 -1.061 -13.802 1.00 31.23 H new ATOM 0 HB2 GLU A 6 -5.036 -2.860 -15.704 1.00 31.15 H new ATOM 0 HB3 GLU A 6 -4.568 -1.188 -15.940 1.00 31.15 H new ATOM 0 HG2 GLU A 6 -2.206 -1.831 -16.096 1.00 71.34 H new ATOM 0 HG3 GLU A 6 -2.608 -3.500 -15.744 1.00 71.34 H new ATOM 98 N ILE A 7 -5.777 -0.630 -12.908 1.00 64.12 N ATOM 99 CA ILE A 7 -7.055 -0.374 -12.257 1.00 54.14 C ATOM 100 C ILE A 7 -7.614 0.987 -12.660 1.00 30.25 C ATOM 101 O ILE A 7 -6.863 1.933 -12.894 1.00 23.12 O ATOM 102 CB ILE A 7 -6.928 -0.431 -10.724 1.00 30.14 C ATOM 103 CG1 ILE A 7 -5.587 0.156 -10.279 1.00 42.02 C ATOM 104 CG2 ILE A 7 -7.074 -1.864 -10.233 1.00 41.21 C ATOM 105 CD1 ILE A 7 -4.469 -0.862 -10.227 1.00 52.01 C ATOM 0 H ILE A 7 -5.179 0.191 -13.001 1.00 64.12 H new ATOM 0 HA ILE A 7 -7.739 -1.157 -12.585 1.00 54.14 H new ATOM 0 HB ILE A 7 -7.728 0.166 -10.286 1.00 30.14 H new ATOM 0 HG12 ILE A 7 -5.306 0.958 -10.962 1.00 42.02 H new ATOM 0 HG13 ILE A 7 -5.705 0.604 -9.293 1.00 42.02 H new ATOM 0 HG21 ILE A 7 -6.982 -1.888 -9.147 1.00 41.21 H new ATOM 0 HG22 ILE A 7 -8.051 -2.250 -10.523 1.00 41.21 H new ATOM 0 HG23 ILE A 7 -6.294 -2.482 -10.677 1.00 41.21 H new ATOM 0 HD11 ILE A 7 -3.549 -0.375 -9.904 1.00 52.01 H new ATOM 0 HD12 ILE A 7 -4.729 -1.652 -9.522 1.00 52.01 H new ATOM 0 HD13 ILE A 7 -4.323 -1.293 -11.217 1.00 52.01 H new ATOM 117 N ALA A 8 -8.938 1.078 -12.736 1.00 23.13 N ATOM 118 CA ALA A 8 -9.598 2.324 -13.106 1.00 23.25 C ATOM 119 C ALA A 8 -10.418 2.876 -11.945 1.00 1.14 C ATOM 120 O ALA A 8 -10.990 2.119 -11.160 1.00 51.22 O ATOM 121 CB ALA A 8 -10.482 2.111 -14.325 1.00 32.20 C ATOM 0 H ALA A 8 -9.574 0.304 -12.546 1.00 23.13 H new ATOM 0 HA ALA A 8 -8.828 3.055 -13.353 1.00 23.25 H new ATOM 0 HB1 ALA A 8 -10.969 3.050 -14.590 1.00 32.20 H new ATOM 0 HB2 ALA A 8 -9.872 1.770 -15.161 1.00 32.20 H new ATOM 0 HB3 ALA A 8 -11.240 1.361 -14.098 1.00 32.20 H new ATOM 127 N PHE A 9 -10.470 4.200 -11.840 1.00 74.14 N ATOM 128 CA PHE A 9 -11.220 4.854 -10.774 1.00 25.43 C ATOM 129 C PHE A 9 -12.226 5.848 -11.346 1.00 65.00 C ATOM 130 O PHE A 9 -11.919 6.586 -12.282 1.00 14.43 O ATOM 131 CB PHE A 9 -10.265 5.570 -9.817 1.00 1.55 C ATOM 132 CG PHE A 9 -10.794 5.684 -8.415 1.00 70.34 C ATOM 133 CD1 PHE A 9 -11.276 4.568 -7.751 1.00 30.35 C ATOM 134 CD2 PHE A 9 -10.809 6.906 -7.763 1.00 22.11 C ATOM 135 CE1 PHE A 9 -11.764 4.669 -6.462 1.00 11.45 C ATOM 136 CE2 PHE A 9 -11.295 7.014 -6.474 1.00 34.34 C ATOM 137 CZ PHE A 9 -11.773 5.894 -5.822 1.00 23.42 C ATOM 0 H PHE A 9 -10.002 4.841 -12.480 1.00 74.14 H new ATOM 0 HA PHE A 9 -11.767 4.087 -10.225 1.00 25.43 H new ATOM 0 HB2 PHE A 9 -9.316 5.035 -9.796 1.00 1.55 H new ATOM 0 HB3 PHE A 9 -10.059 6.569 -10.202 1.00 1.55 H new ATOM 0 HD1 PHE A 9 -11.270 3.608 -8.246 1.00 30.35 H new ATOM 0 HD2 PHE A 9 -10.436 7.785 -8.268 1.00 22.11 H new ATOM 0 HE1 PHE A 9 -12.138 3.792 -5.955 1.00 11.45 H new ATOM 0 HE2 PHE A 9 -11.301 7.973 -5.977 1.00 34.34 H new ATOM 0 HZ PHE A 9 -12.153 5.975 -4.814 1.00 23.42 H new ATOM 147 N GLN A 10 -13.427 5.859 -10.777 1.00 5.42 N ATOM 148 CA GLN A 10 -14.478 6.762 -11.231 1.00 71.41 C ATOM 149 C GLN A 10 -14.643 7.933 -10.269 1.00 13.31 C ATOM 150 O GLN A 10 -14.432 7.796 -9.063 1.00 62.14 O ATOM 151 CB GLN A 10 -15.802 6.008 -11.368 1.00 31.12 C ATOM 152 CG GLN A 10 -16.993 6.914 -11.634 1.00 73.13 C ATOM 153 CD GLN A 10 -16.943 7.556 -13.007 1.00 22.51 C ATOM 154 OE1 GLN A 10 -16.217 8.526 -13.225 1.00 64.31 O ATOM 155 NE2 GLN A 10 -17.716 7.016 -13.942 1.00 32.23 N ATOM 0 H GLN A 10 -13.696 5.254 -10.002 1.00 5.42 H new ATOM 0 HA GLN A 10 -14.189 7.155 -12.206 1.00 71.41 H new ATOM 0 HB2 GLN A 10 -15.717 5.286 -12.180 1.00 31.12 H new ATOM 0 HB3 GLN A 10 -15.984 5.441 -10.455 1.00 31.12 H new ATOM 0 HG2 GLN A 10 -17.912 6.336 -11.541 1.00 73.13 H new ATOM 0 HG3 GLN A 10 -17.028 7.694 -10.873 1.00 73.13 H new ATOM 0 HE21 GLN A 10 -18.302 6.212 -13.717 1.00 32.23 H new ATOM 0 HE22 GLN A 10 -17.723 7.405 -14.885 1.00 32.23 H new ATOM 164 N THR A 11 -15.023 9.087 -10.809 1.00 4.40 N ATOM 165 CA THR A 11 -15.215 10.284 -9.999 1.00 63.30 C ATOM 166 C THR A 11 -16.097 11.298 -10.718 1.00 4.44 C ATOM 167 O THR A 11 -15.829 11.666 -11.862 1.00 14.50 O ATOM 168 CB THR A 11 -13.869 10.947 -9.649 1.00 34.15 C ATOM 169 OG1 THR A 11 -14.080 12.312 -9.271 1.00 2.11 O ATOM 170 CG2 THR A 11 -12.911 10.884 -10.828 1.00 73.25 C ATOM 0 H THR A 11 -15.204 9.218 -11.804 1.00 4.40 H new ATOM 0 HA THR A 11 -15.706 9.968 -9.078 1.00 63.30 H new ATOM 0 HB THR A 11 -13.427 10.403 -8.814 1.00 34.15 H new ATOM 0 HG1 THR A 11 -13.220 12.726 -9.048 1.00 2.11 H new ATOM 0 HG21 THR A 11 -11.968 11.358 -10.556 1.00 73.25 H new ATOM 0 HG22 THR A 11 -12.730 9.843 -11.094 1.00 73.25 H new ATOM 0 HG23 THR A 11 -13.347 11.406 -11.680 1.00 73.25 H new ATOM 178 N ILE A 12 -17.147 11.747 -10.039 1.00 53.45 N ATOM 179 CA ILE A 12 -18.067 12.721 -10.614 1.00 11.53 C ATOM 180 C ILE A 12 -18.444 13.790 -9.593 1.00 43.01 C ATOM 181 O ILE A 12 -18.398 14.984 -9.884 1.00 51.34 O ATOM 182 CB ILE A 12 -19.351 12.046 -11.131 1.00 51.41 C ATOM 183 CG1 ILE A 12 -19.865 11.029 -10.110 1.00 72.05 C ATOM 184 CG2 ILE A 12 -19.093 11.376 -12.472 1.00 74.21 C ATOM 185 CD1 ILE A 12 -20.393 9.758 -10.738 1.00 32.22 C ATOM 0 H ILE A 12 -17.382 11.452 -9.091 1.00 53.45 H new ATOM 0 HA ILE A 12 -17.549 13.188 -11.452 1.00 11.53 H new ATOM 0 HB ILE A 12 -20.116 12.810 -11.270 1.00 51.41 H new ATOM 0 HG12 ILE A 12 -19.058 10.777 -9.422 1.00 72.05 H new ATOM 0 HG13 ILE A 12 -20.657 11.488 -9.518 1.00 72.05 H new ATOM 0 HG21 ILE A 12 -20.010 10.903 -12.825 1.00 74.21 H new ATOM 0 HG22 ILE A 12 -18.768 12.124 -13.196 1.00 74.21 H new ATOM 0 HG23 ILE A 12 -18.316 10.620 -12.358 1.00 74.21 H new ATOM 0 HD11 ILE A 12 -20.740 9.083 -9.956 1.00 32.22 H new ATOM 0 HD12 ILE A 12 -21.221 9.998 -11.404 1.00 32.22 H new ATOM 0 HD13 ILE A 12 -19.598 9.276 -11.307 1.00 32.22 H new ATOM 197 N ASN A 13 -18.814 13.351 -8.394 1.00 53.35 N ATOM 198 CA ASN A 13 -19.198 14.270 -7.329 1.00 42.41 C ATOM 199 C ASN A 13 -18.764 13.736 -5.967 1.00 41.24 C ATOM 200 O ASN A 13 -18.342 12.587 -5.845 1.00 40.14 O ATOM 201 CB ASN A 13 -20.711 14.496 -7.342 1.00 40.42 C ATOM 202 CG ASN A 13 -21.089 15.902 -6.918 1.00 53.40 C ATOM 203 OD1 ASN A 13 -21.811 16.094 -5.940 1.00 14.43 O ATOM 204 ND2 ASN A 13 -20.602 16.894 -7.655 1.00 23.22 N ATOM 0 H ASN A 13 -18.856 12.365 -8.136 1.00 53.35 H new ATOM 0 HA ASN A 13 -18.694 15.221 -7.504 1.00 42.41 H new ATOM 0 HB2 ASN A 13 -21.095 14.306 -8.344 1.00 40.42 H new ATOM 0 HB3 ASN A 13 -21.189 13.778 -6.676 1.00 40.42 H new ATOM 0 HD21 ASN A 13 -20.823 17.861 -7.418 1.00 23.22 H new ATOM 0 HD22 ASN A 13 -20.007 16.689 -8.458 1.00 23.22 H new ATOM 211 N GLY A 14 -18.872 14.580 -4.945 1.00 63.40 N ATOM 212 CA GLY A 14 -18.487 14.174 -3.606 1.00 13.44 C ATOM 213 C GLY A 14 -17.027 14.453 -3.312 1.00 44.32 C ATOM 214 O GLY A 14 -16.453 15.412 -3.831 1.00 53.13 O ATOM 0 H GLY A 14 -19.219 15.536 -5.020 1.00 63.40 H new ATOM 0 HA2 GLY A 14 -19.107 14.698 -2.879 1.00 13.44 H new ATOM 0 HA3 GLY A 14 -18.682 13.109 -3.483 1.00 13.44 H new ATOM 218 N LEU A 15 -16.422 13.616 -2.477 1.00 32.40 N ATOM 219 CA LEU A 15 -15.019 13.777 -2.113 1.00 43.34 C ATOM 220 C LEU A 15 -14.116 13.006 -3.071 1.00 21.23 C ATOM 221 O LEU A 15 -12.925 12.832 -2.812 1.00 62.01 O ATOM 222 CB LEU A 15 -14.785 13.301 -0.679 1.00 10.34 C ATOM 223 CG LEU A 15 -14.481 11.813 -0.506 1.00 64.35 C ATOM 224 CD1 LEU A 15 -14.365 11.459 0.968 1.00 64.40 C ATOM 225 CD2 LEU A 15 -15.554 10.968 -1.177 1.00 31.21 C ATOM 0 H LEU A 15 -16.882 12.818 -2.039 1.00 32.40 H new ATOM 0 HA LEU A 15 -14.771 14.836 -2.182 1.00 43.34 H new ATOM 0 HB2 LEU A 15 -13.957 13.872 -0.259 1.00 10.34 H new ATOM 0 HB3 LEU A 15 -15.669 13.541 -0.089 1.00 10.34 H new ATOM 0 HG LEU A 15 -13.526 11.599 -0.985 1.00 64.35 H new ATOM 0 HD11 LEU A 15 -14.148 10.396 1.071 1.00 64.40 H new ATOM 0 HD12 LEU A 15 -13.560 12.039 1.419 1.00 64.40 H new ATOM 0 HD13 LEU A 15 -15.304 11.688 1.472 1.00 64.40 H new ATOM 0 HD21 LEU A 15 -15.321 9.911 -1.044 1.00 31.21 H new ATOM 0 HD22 LEU A 15 -16.523 11.186 -0.727 1.00 31.21 H new ATOM 0 HD23 LEU A 15 -15.588 11.201 -2.241 1.00 31.21 H new ATOM 237 N ASP A 16 -14.690 12.547 -4.177 1.00 53.53 N ATOM 238 CA ASP A 16 -13.937 11.797 -5.175 1.00 41.45 C ATOM 239 C ASP A 16 -12.712 12.582 -5.635 1.00 12.31 C ATOM 240 O ASP A 16 -11.598 12.061 -5.646 1.00 22.21 O ATOM 241 CB ASP A 16 -14.826 11.468 -6.375 1.00 74.23 C ATOM 242 CG ASP A 16 -16.097 10.746 -5.973 1.00 14.13 C ATOM 243 OD1 ASP A 16 -16.202 10.339 -4.797 1.00 21.14 O ATOM 244 OD2 ASP A 16 -16.988 10.589 -6.834 1.00 11.44 O ATOM 0 H ASP A 16 -15.675 12.681 -4.405 1.00 53.53 H new ATOM 0 HA ASP A 16 -13.600 10.867 -4.716 1.00 41.45 H new ATOM 0 HB2 ASP A 16 -15.085 12.390 -6.896 1.00 74.23 H new ATOM 0 HB3 ASP A 16 -14.268 10.850 -7.079 1.00 74.23 H new ATOM 249 N GLU A 17 -12.928 13.838 -6.014 1.00 53.01 N ATOM 250 CA GLU A 17 -11.842 14.693 -6.476 1.00 44.53 C ATOM 251 C GLU A 17 -10.678 14.677 -5.489 1.00 33.31 C ATOM 252 O GLU A 17 -9.516 14.580 -5.884 1.00 14.33 O ATOM 253 CB GLU A 17 -12.339 16.127 -6.671 1.00 11.31 C ATOM 254 CG GLU A 17 -12.980 16.723 -5.429 1.00 33.02 C ATOM 255 CD GLU A 17 -12.006 17.544 -4.606 1.00 54.23 C ATOM 256 OE1 GLU A 17 -10.788 17.450 -4.863 1.00 42.41 O ATOM 257 OE2 GLU A 17 -12.462 18.280 -3.706 1.00 73.04 O ATOM 0 H GLU A 17 -13.845 14.285 -6.010 1.00 53.01 H new ATOM 0 HA GLU A 17 -11.491 14.304 -7.432 1.00 44.53 H new ATOM 0 HB2 GLU A 17 -11.501 16.755 -6.974 1.00 11.31 H new ATOM 0 HB3 GLU A 17 -13.062 16.144 -7.487 1.00 11.31 H new ATOM 0 HG2 GLU A 17 -13.820 17.352 -5.724 1.00 33.02 H new ATOM 0 HG3 GLU A 17 -13.384 15.920 -4.812 1.00 33.02 H new ATOM 264 N SER A 18 -11.000 14.772 -4.203 1.00 31.13 N ATOM 265 CA SER A 18 -9.983 14.772 -3.158 1.00 44.22 C ATOM 266 C SER A 18 -9.169 13.482 -3.192 1.00 32.12 C ATOM 267 O SER A 18 -7.946 13.501 -3.051 1.00 4.51 O ATOM 268 CB SER A 18 -10.632 14.943 -1.784 1.00 15.12 C ATOM 269 OG SER A 18 -10.998 13.690 -1.233 1.00 74.43 O ATOM 0 H SER A 18 -11.957 14.850 -3.860 1.00 31.13 H new ATOM 0 HA SER A 18 -9.311 15.610 -3.340 1.00 44.22 H new ATOM 0 HB2 SER A 18 -9.940 15.451 -1.112 1.00 15.12 H new ATOM 0 HB3 SER A 18 -11.514 15.577 -1.872 1.00 15.12 H new ATOM 0 HG SER A 18 -11.663 13.260 -1.811 1.00 74.43 H new ATOM 275 N LEU A 19 -9.857 12.361 -3.379 1.00 53.13 N ATOM 276 CA LEU A 19 -9.200 11.060 -3.432 1.00 33.32 C ATOM 277 C LEU A 19 -8.328 10.940 -4.677 1.00 61.13 C ATOM 278 O LEU A 19 -7.236 10.373 -4.631 1.00 72.33 O ATOM 279 CB LEU A 19 -10.242 9.940 -3.415 1.00 62.52 C ATOM 280 CG LEU A 19 -9.832 8.653 -2.698 1.00 33.23 C ATOM 281 CD1 LEU A 19 -10.664 7.479 -3.191 1.00 21.12 C ATOM 282 CD2 LEU A 19 -8.349 8.379 -2.898 1.00 42.40 C ATOM 0 H LEU A 19 -10.870 12.327 -3.496 1.00 53.13 H new ATOM 0 HA LEU A 19 -8.561 10.967 -2.554 1.00 33.32 H new ATOM 0 HB2 LEU A 19 -11.148 10.321 -2.945 1.00 62.52 H new ATOM 0 HB3 LEU A 19 -10.497 9.693 -4.445 1.00 62.52 H new ATOM 0 HG LEU A 19 -10.016 8.780 -1.631 1.00 33.23 H new ATOM 0 HD11 LEU A 19 -10.358 6.572 -2.670 1.00 21.12 H new ATOM 0 HD12 LEU A 19 -11.719 7.672 -2.995 1.00 21.12 H new ATOM 0 HD13 LEU A 19 -10.512 7.350 -4.263 1.00 21.12 H new ATOM 0 HD21 LEU A 19 -8.076 7.459 -2.381 1.00 42.40 H new ATOM 0 HD22 LEU A 19 -8.139 8.273 -3.962 1.00 42.40 H new ATOM 0 HD23 LEU A 19 -7.768 9.208 -2.495 1.00 42.40 H new ATOM 294 N VAL A 20 -8.816 11.480 -5.790 1.00 21.04 N ATOM 295 CA VAL A 20 -8.080 11.437 -7.047 1.00 64.23 C ATOM 296 C VAL A 20 -6.753 12.179 -6.933 1.00 62.00 C ATOM 297 O VAL A 20 -5.696 11.631 -7.244 1.00 23.23 O ATOM 298 CB VAL A 20 -8.900 12.048 -8.199 1.00 24.10 C ATOM 299 CG1 VAL A 20 -8.232 11.769 -9.537 1.00 30.51 C ATOM 300 CG2 VAL A 20 -10.323 11.512 -8.182 1.00 31.21 C ATOM 0 H VAL A 20 -9.718 11.952 -5.846 1.00 21.04 H new ATOM 0 HA VAL A 20 -7.888 10.386 -7.265 1.00 64.23 H new ATOM 0 HB VAL A 20 -8.941 13.128 -8.059 1.00 24.10 H new ATOM 0 HG11 VAL A 20 -8.826 12.208 -10.339 1.00 30.51 H new ATOM 0 HG12 VAL A 20 -7.234 12.206 -9.543 1.00 30.51 H new ATOM 0 HG13 VAL A 20 -8.157 10.692 -9.689 1.00 30.51 H new ATOM 0 HG21 VAL A 20 -10.888 11.954 -9.002 1.00 31.21 H new ATOM 0 HG22 VAL A 20 -10.305 10.428 -8.296 1.00 31.21 H new ATOM 0 HG23 VAL A 20 -10.797 11.769 -7.235 1.00 31.21 H new ATOM 310 N GLN A 21 -6.817 13.429 -6.485 1.00 22.40 N ATOM 311 CA GLN A 21 -5.619 14.246 -6.330 1.00 15.31 C ATOM 312 C GLN A 21 -4.726 13.699 -5.222 1.00 31.33 C ATOM 313 O GLN A 21 -3.502 13.685 -5.348 1.00 31.31 O ATOM 314 CB GLN A 21 -6.002 15.695 -6.024 1.00 0.33 C ATOM 315 CG GLN A 21 -6.812 15.854 -4.747 1.00 42.01 C ATOM 316 CD GLN A 21 -7.555 17.174 -4.688 1.00 3.15 C ATOM 317 OE1 GLN A 21 -7.976 17.710 -5.713 1.00 62.43 O ATOM 318 NE2 GLN A 21 -7.720 17.707 -3.482 1.00 72.25 N ATOM 0 H GLN A 21 -7.684 13.897 -6.223 1.00 22.40 H new ATOM 0 HA GLN A 21 -5.064 14.214 -7.267 1.00 15.31 H new ATOM 0 HB2 GLN A 21 -5.094 16.293 -5.945 1.00 0.33 H new ATOM 0 HB3 GLN A 21 -6.576 16.095 -6.860 1.00 0.33 H new ATOM 0 HG2 GLN A 21 -7.527 15.035 -4.671 1.00 42.01 H new ATOM 0 HG3 GLN A 21 -6.147 15.777 -3.887 1.00 42.01 H new ATOM 0 HE21 GLN A 21 -7.355 17.229 -2.659 1.00 72.25 H new ATOM 0 HE22 GLN A 21 -8.212 18.595 -3.380 1.00 72.25 H new ATOM 327 N ALA A 22 -5.347 13.249 -4.136 1.00 62.10 N ATOM 328 CA ALA A 22 -4.608 12.699 -3.006 1.00 60.14 C ATOM 329 C ALA A 22 -3.881 11.417 -3.398 1.00 3.01 C ATOM 330 O ALA A 22 -2.675 11.284 -3.182 1.00 12.20 O ATOM 331 CB ALA A 22 -5.547 12.439 -1.838 1.00 0.34 C ATOM 0 H ALA A 22 -6.360 13.255 -4.015 1.00 62.10 H new ATOM 0 HA ALA A 22 -3.860 13.431 -2.701 1.00 60.14 H new ATOM 0 HB1 ALA A 22 -4.982 12.028 -1.001 1.00 0.34 H new ATOM 0 HB2 ALA A 22 -6.017 13.374 -1.534 1.00 0.34 H new ATOM 0 HB3 ALA A 22 -6.316 11.728 -2.140 1.00 0.34 H new ATOM 337 N LEU A 23 -4.620 10.475 -3.974 1.00 2.33 N ATOM 338 CA LEU A 23 -4.045 9.202 -4.395 1.00 50.51 C ATOM 339 C LEU A 23 -3.006 9.411 -5.492 1.00 72.24 C ATOM 340 O LEU A 23 -2.011 8.690 -5.563 1.00 50.45 O ATOM 341 CB LEU A 23 -5.145 8.263 -4.891 1.00 34.44 C ATOM 342 CG LEU A 23 -5.526 8.394 -6.366 1.00 31.43 C ATOM 343 CD1 LEU A 23 -4.605 7.549 -7.232 1.00 24.12 C ATOM 344 CD2 LEU A 23 -6.978 7.992 -6.579 1.00 73.05 C ATOM 0 H LEU A 23 -5.618 10.569 -4.160 1.00 2.33 H new ATOM 0 HA LEU A 23 -3.552 8.751 -3.534 1.00 50.51 H new ATOM 0 HB2 LEU A 23 -4.828 7.236 -4.708 1.00 34.44 H new ATOM 0 HB3 LEU A 23 -6.038 8.433 -4.289 1.00 34.44 H new ATOM 0 HG LEU A 23 -5.411 9.437 -6.660 1.00 31.43 H new ATOM 0 HD11 LEU A 23 -4.891 7.655 -8.278 1.00 24.12 H new ATOM 0 HD12 LEU A 23 -3.576 7.883 -7.102 1.00 24.12 H new ATOM 0 HD13 LEU A 23 -4.687 6.503 -6.937 1.00 24.12 H new ATOM 0 HD21 LEU A 23 -7.232 8.091 -7.634 1.00 73.05 H new ATOM 0 HD22 LEU A 23 -7.118 6.957 -6.268 1.00 73.05 H new ATOM 0 HD23 LEU A 23 -7.625 8.639 -5.988 1.00 73.05 H new ATOM 356 N ALA A 24 -3.244 10.402 -6.345 1.00 11.33 N ATOM 357 CA ALA A 24 -2.327 10.708 -7.436 1.00 12.43 C ATOM 358 C ALA A 24 -0.930 11.018 -6.908 1.00 72.43 C ATOM 359 O ALA A 24 0.052 10.409 -7.330 1.00 20.50 O ATOM 360 CB ALA A 24 -2.854 11.876 -8.256 1.00 52.41 C ATOM 0 H ALA A 24 -4.064 11.007 -6.301 1.00 11.33 H new ATOM 0 HA ALA A 24 -2.258 9.829 -8.077 1.00 12.43 H new ATOM 0 HB1 ALA A 24 -2.159 12.094 -9.067 1.00 52.41 H new ATOM 0 HB2 ALA A 24 -3.828 11.619 -8.672 1.00 52.41 H new ATOM 0 HB3 ALA A 24 -2.953 12.754 -7.617 1.00 52.41 H new ATOM 366 N GLY A 25 -0.849 11.969 -5.983 1.00 42.32 N ATOM 367 CA GLY A 25 0.433 12.343 -5.414 1.00 52.13 C ATOM 368 C GLY A 25 1.039 11.237 -4.574 1.00 31.22 C ATOM 369 O GLY A 25 2.218 10.913 -4.717 1.00 41.40 O ATOM 0 H GLY A 25 -1.648 12.487 -5.617 1.00 42.32 H new ATOM 0 HA2 GLY A 25 1.122 12.603 -6.218 1.00 52.13 H new ATOM 0 HA3 GLY A 25 0.308 13.235 -4.800 1.00 52.13 H new ATOM 373 N VAL A 26 0.231 10.655 -3.692 1.00 44.25 N ATOM 374 CA VAL A 26 0.695 9.579 -2.825 1.00 0.01 C ATOM 375 C VAL A 26 1.270 8.426 -3.639 1.00 70.43 C ATOM 376 O VAL A 26 2.383 7.965 -3.385 1.00 23.34 O ATOM 377 CB VAL A 26 -0.443 9.047 -1.934 1.00 30.31 C ATOM 378 CG1 VAL A 26 0.052 7.904 -1.061 1.00 3.14 C ATOM 379 CG2 VAL A 26 -1.021 10.167 -1.083 1.00 13.11 C ATOM 0 H VAL A 26 -0.747 10.911 -3.560 1.00 44.25 H new ATOM 0 HA VAL A 26 1.477 9.998 -2.192 1.00 0.01 H new ATOM 0 HB VAL A 26 -1.236 8.664 -2.577 1.00 30.31 H new ATOM 0 HG11 VAL A 26 -0.766 7.541 -0.438 1.00 3.14 H new ATOM 0 HG12 VAL A 26 0.414 7.093 -1.694 1.00 3.14 H new ATOM 0 HG13 VAL A 26 0.863 8.257 -0.424 1.00 3.14 H new ATOM 0 HG21 VAL A 26 -1.824 9.773 -0.460 1.00 13.11 H new ATOM 0 HG22 VAL A 26 -0.239 10.582 -0.448 1.00 13.11 H new ATOM 0 HG23 VAL A 26 -1.415 10.950 -1.731 1.00 13.11 H new ATOM 389 N THR A 27 0.504 7.962 -4.622 1.00 13.30 N ATOM 390 CA THR A 27 0.936 6.862 -5.474 1.00 71.03 C ATOM 391 C THR A 27 2.228 7.207 -6.205 1.00 44.50 C ATOM 392 O THR A 27 3.209 6.467 -6.135 1.00 52.04 O ATOM 393 CB THR A 27 -0.144 6.496 -6.510 1.00 61.00 C ATOM 394 OG1 THR A 27 -1.380 6.206 -5.848 1.00 23.45 O ATOM 395 CG2 THR A 27 0.287 5.296 -7.340 1.00 33.12 C ATOM 0 H THR A 27 -0.419 8.332 -4.847 1.00 13.30 H new ATOM 0 HA THR A 27 1.108 6.006 -4.821 1.00 71.03 H new ATOM 0 HB THR A 27 -0.281 7.348 -7.176 1.00 61.00 H new ATOM 0 HG1 THR A 27 -1.900 7.031 -5.750 1.00 23.45 H new ATOM 0 HG21 THR A 27 -0.491 5.056 -8.064 1.00 33.12 H new ATOM 0 HG22 THR A 27 1.212 5.531 -7.866 1.00 33.12 H new ATOM 0 HG23 THR A 27 0.449 4.440 -6.685 1.00 33.12 H new ATOM 403 N ALA A 28 2.223 8.337 -6.905 1.00 40.11 N ATOM 404 CA ALA A 28 3.397 8.782 -7.647 1.00 34.24 C ATOM 405 C ALA A 28 4.616 8.881 -6.736 1.00 61.54 C ATOM 406 O ALA A 28 5.736 8.581 -7.149 1.00 64.31 O ATOM 407 CB ALA A 28 3.123 10.122 -8.313 1.00 41.00 C ATOM 0 H ALA A 28 1.419 8.961 -6.974 1.00 40.11 H new ATOM 0 HA ALA A 28 3.611 8.042 -8.419 1.00 34.24 H new ATOM 0 HB1 ALA A 28 4.008 10.442 -8.863 1.00 41.00 H new ATOM 0 HB2 ALA A 28 2.284 10.021 -9.001 1.00 41.00 H new ATOM 0 HB3 ALA A 28 2.881 10.864 -7.552 1.00 41.00 H new ATOM 413 N SER A 29 4.391 9.303 -5.497 1.00 13.35 N ATOM 414 CA SER A 29 5.472 9.446 -4.529 1.00 65.11 C ATOM 415 C SER A 29 5.921 8.083 -4.011 1.00 33.15 C ATOM 416 O SER A 29 7.092 7.884 -3.687 1.00 72.23 O ATOM 417 CB SER A 29 5.027 10.327 -3.361 1.00 2.53 C ATOM 418 OG SER A 29 4.559 11.584 -3.819 1.00 43.03 O ATOM 0 H SER A 29 3.469 9.552 -5.139 1.00 13.35 H new ATOM 0 HA SER A 29 6.315 9.920 -5.031 1.00 65.11 H new ATOM 0 HB2 SER A 29 4.238 9.824 -2.802 1.00 2.53 H new ATOM 0 HB3 SER A 29 5.861 10.474 -2.674 1.00 2.53 H new ATOM 0 HG SER A 29 3.617 11.508 -4.078 1.00 43.03 H new ATOM 424 N ASP A 30 4.980 7.148 -3.934 1.00 62.20 N ATOM 425 CA ASP A 30 5.277 5.802 -3.456 1.00 12.41 C ATOM 426 C ASP A 30 5.921 4.964 -4.556 1.00 54.31 C ATOM 427 O ASP A 30 6.528 3.928 -4.286 1.00 44.24 O ATOM 428 CB ASP A 30 4.000 5.121 -2.960 1.00 3.42 C ATOM 429 CG ASP A 30 4.276 3.786 -2.298 1.00 24.22 C ATOM 430 OD1 ASP A 30 4.321 2.765 -3.016 1.00 45.13 O ATOM 431 OD2 ASP A 30 4.448 3.761 -1.061 1.00 43.33 O ATOM 0 H ASP A 30 4.006 7.297 -4.196 1.00 62.20 H new ATOM 0 HA ASP A 30 5.981 5.884 -2.628 1.00 12.41 H new ATOM 0 HB2 ASP A 30 3.494 5.777 -2.252 1.00 3.42 H new ATOM 0 HB3 ASP A 30 3.321 4.973 -3.800 1.00 3.42 H new ATOM 436 N PHE A 31 5.782 5.419 -5.797 1.00 50.20 N ATOM 437 CA PHE A 31 6.348 4.710 -6.939 1.00 1.32 C ATOM 438 C PHE A 31 7.481 5.514 -7.571 1.00 11.13 C ATOM 439 O PHE A 31 7.333 6.109 -8.638 1.00 42.32 O ATOM 440 CB PHE A 31 5.264 4.430 -7.981 1.00 35.00 C ATOM 441 CG PHE A 31 4.428 3.222 -7.666 1.00 54.43 C ATOM 442 CD1 PHE A 31 4.907 1.947 -7.919 1.00 12.05 C ATOM 443 CD2 PHE A 31 3.163 3.363 -7.118 1.00 20.42 C ATOM 444 CE1 PHE A 31 4.139 0.834 -7.631 1.00 3.34 C ATOM 445 CE2 PHE A 31 2.391 2.253 -6.827 1.00 40.53 C ATOM 446 CZ PHE A 31 2.880 0.988 -7.083 1.00 64.42 C ATOM 0 H PHE A 31 5.282 6.275 -6.037 1.00 50.20 H new ATOM 0 HA PHE A 31 6.753 3.763 -6.582 1.00 1.32 H new ATOM 0 HB2 PHE A 31 4.614 5.301 -8.061 1.00 35.00 H new ATOM 0 HB3 PHE A 31 5.734 4.293 -8.955 1.00 35.00 H new ATOM 0 HD1 PHE A 31 5.891 1.821 -8.346 1.00 12.05 H new ATOM 0 HD2 PHE A 31 2.776 4.351 -6.916 1.00 20.42 H new ATOM 0 HE1 PHE A 31 4.523 -0.155 -7.834 1.00 3.34 H new ATOM 0 HE2 PHE A 31 1.407 2.376 -6.400 1.00 40.53 H new ATOM 0 HZ PHE A 31 2.279 0.120 -6.855 1.00 64.42 H new ATOM 456 N PRO A 32 8.640 5.533 -6.896 1.00 61.01 N ATOM 457 CA PRO A 32 9.821 6.260 -7.372 1.00 20.42 C ATOM 458 C PRO A 32 10.438 5.616 -8.609 1.00 3.03 C ATOM 459 O PRO A 32 11.241 6.235 -9.307 1.00 52.44 O ATOM 460 CB PRO A 32 10.788 6.179 -6.188 1.00 31.21 C ATOM 461 CG PRO A 32 10.377 4.954 -5.447 1.00 24.45 C ATOM 462 CD PRO A 32 8.887 4.846 -5.617 1.00 63.03 C ATOM 0 HA PRO A 32 9.579 7.279 -7.673 1.00 20.42 H new ATOM 0 HB2 PRO A 32 11.822 6.109 -6.525 1.00 31.21 H new ATOM 0 HB3 PRO A 32 10.717 7.065 -5.558 1.00 31.21 H new ATOM 0 HG2 PRO A 32 10.880 4.072 -5.843 1.00 24.45 H new ATOM 0 HG3 PRO A 32 10.645 5.027 -4.393 1.00 24.45 H new ATOM 0 HD2 PRO A 32 8.560 3.807 -5.649 1.00 63.03 H new ATOM 0 HD3 PRO A 32 8.353 5.323 -4.795 1.00 63.03 H new ATOM 470 N ASP A 33 10.059 4.371 -8.874 1.00 31.13 N ATOM 471 CA ASP A 33 10.574 3.644 -10.028 1.00 24.30 C ATOM 472 C ASP A 33 10.261 4.387 -11.323 1.00 4.33 C ATOM 473 O ASP A 33 10.890 4.149 -12.355 1.00 54.52 O ATOM 474 CB ASP A 33 9.980 2.235 -10.077 1.00 52.45 C ATOM 475 CG ASP A 33 10.305 1.426 -8.838 1.00 22.32 C ATOM 476 OD1 ASP A 33 11.307 1.747 -8.166 1.00 1.33 O ATOM 477 OD2 ASP A 33 9.558 0.470 -8.540 1.00 64.32 O ATOM 0 H ASP A 33 9.397 3.844 -8.305 1.00 31.13 H new ATOM 0 HA ASP A 33 11.657 3.570 -9.926 1.00 24.30 H new ATOM 0 HB2 ASP A 33 8.898 2.304 -10.189 1.00 52.45 H new ATOM 0 HB3 ASP A 33 10.359 1.715 -10.957 1.00 52.45 H new ATOM 482 N LEU A 34 9.286 5.287 -11.261 1.00 42.20 N ATOM 483 CA LEU A 34 8.888 6.066 -12.429 1.00 64.40 C ATOM 484 C LEU A 34 8.257 5.171 -13.490 1.00 72.44 C ATOM 485 O LEU A 34 8.073 5.583 -14.636 1.00 5.43 O ATOM 486 CB LEU A 34 10.098 6.796 -13.015 1.00 54.24 C ATOM 487 CG LEU A 34 10.039 8.324 -12.984 1.00 73.23 C ATOM 488 CD1 LEU A 34 11.303 8.894 -12.360 1.00 52.11 C ATOM 489 CD2 LEU A 34 9.837 8.878 -14.387 1.00 3.50 C ATOM 0 H LEU A 34 8.756 5.496 -10.415 1.00 42.20 H new ATOM 0 HA LEU A 34 8.147 6.800 -12.112 1.00 64.40 H new ATOM 0 HB2 LEU A 34 10.988 6.476 -12.473 1.00 54.24 H new ATOM 0 HB3 LEU A 34 10.223 6.478 -14.050 1.00 54.24 H new ATOM 0 HG LEU A 34 9.189 8.624 -12.371 1.00 73.23 H new ATOM 0 HD11 LEU A 34 11.243 9.982 -12.346 1.00 52.11 H new ATOM 0 HD12 LEU A 34 11.404 8.523 -11.340 1.00 52.11 H new ATOM 0 HD13 LEU A 34 12.169 8.586 -12.946 1.00 52.11 H new ATOM 0 HD21 LEU A 34 9.797 9.967 -14.346 1.00 3.50 H new ATOM 0 HD22 LEU A 34 10.666 8.569 -15.023 1.00 3.50 H new ATOM 0 HD23 LEU A 34 8.902 8.496 -14.798 1.00 3.50 H new ATOM 501 N ASP A 35 7.924 3.945 -13.102 1.00 23.35 N ATOM 502 CA ASP A 35 7.310 2.992 -14.019 1.00 33.14 C ATOM 503 C ASP A 35 5.788 3.042 -13.915 1.00 45.24 C ATOM 504 O ASP A 35 5.085 2.308 -14.610 1.00 41.23 O ATOM 505 CB ASP A 35 7.807 1.576 -13.725 1.00 34.51 C ATOM 506 CG ASP A 35 9.319 1.496 -13.652 1.00 12.12 C ATOM 507 OD1 ASP A 35 9.988 2.288 -14.347 1.00 44.11 O ATOM 508 OD2 ASP A 35 9.833 0.641 -12.900 1.00 12.30 O ATOM 0 H ASP A 35 8.069 3.588 -12.158 1.00 23.35 H new ATOM 0 HA ASP A 35 7.597 3.266 -15.034 1.00 33.14 H new ATOM 0 HB2 ASP A 35 7.382 1.234 -12.781 1.00 34.51 H new ATOM 0 HB3 ASP A 35 7.447 0.900 -14.500 1.00 34.51 H new ATOM 513 N ILE A 36 5.288 3.911 -13.044 1.00 1.31 N ATOM 514 CA ILE A 36 3.851 4.057 -12.850 1.00 72.22 C ATOM 515 C ILE A 36 3.205 4.761 -14.038 1.00 55.23 C ATOM 516 O ILE A 36 3.606 5.862 -14.416 1.00 4.14 O ATOM 517 CB ILE A 36 3.533 4.844 -11.566 1.00 13.44 C ATOM 518 CG1 ILE A 36 2.019 4.947 -11.366 1.00 22.54 C ATOM 519 CG2 ILE A 36 4.159 6.230 -11.625 1.00 22.42 C ATOM 520 CD1 ILE A 36 1.620 5.860 -10.228 1.00 23.35 C ATOM 0 H ILE A 36 5.857 4.525 -12.461 1.00 1.31 H new ATOM 0 HA ILE A 36 3.441 3.051 -12.760 1.00 72.22 H new ATOM 0 HB ILE A 36 3.958 4.310 -10.716 1.00 13.44 H new ATOM 0 HG12 ILE A 36 1.563 5.308 -12.288 1.00 22.54 H new ATOM 0 HG13 ILE A 36 1.617 3.951 -11.180 1.00 22.54 H new ATOM 0 HG21 ILE A 36 3.925 6.774 -10.710 1.00 22.42 H new ATOM 0 HG22 ILE A 36 5.240 6.137 -11.726 1.00 22.42 H new ATOM 0 HG23 ILE A 36 3.760 6.773 -12.482 1.00 22.42 H new ATOM 0 HD11 ILE A 36 0.533 5.885 -10.145 1.00 23.35 H new ATOM 0 HD12 ILE A 36 2.047 5.488 -9.296 1.00 23.35 H new ATOM 0 HD13 ILE A 36 1.992 6.866 -10.421 1.00 23.35 H new ATOM 532 N LYS A 37 2.199 4.120 -14.624 1.00 21.30 N ATOM 533 CA LYS A 37 1.493 4.685 -15.768 1.00 22.32 C ATOM 534 C LYS A 37 0.067 5.073 -15.390 1.00 22.42 C ATOM 535 O LYS A 37 -0.885 4.358 -15.704 1.00 22.20 O ATOM 536 CB LYS A 37 1.471 3.683 -16.925 1.00 11.41 C ATOM 537 CG LYS A 37 2.508 3.970 -17.997 1.00 54.04 C ATOM 538 CD LYS A 37 3.867 3.403 -17.624 1.00 61.05 C ATOM 539 CE LYS A 37 4.856 4.506 -17.282 1.00 3.43 C ATOM 540 NZ LYS A 37 5.750 4.826 -18.429 1.00 63.20 N ATOM 0 H LYS A 37 1.854 3.208 -14.325 1.00 21.30 H new ATOM 0 HA LYS A 37 2.023 5.583 -16.083 1.00 22.32 H new ATOM 0 HB2 LYS A 37 1.637 2.681 -16.530 1.00 11.41 H new ATOM 0 HB3 LYS A 37 0.480 3.687 -17.379 1.00 11.41 H new ATOM 0 HG2 LYS A 37 2.181 3.541 -18.944 1.00 54.04 H new ATOM 0 HG3 LYS A 37 2.590 5.047 -18.146 1.00 54.04 H new ATOM 0 HD2 LYS A 37 3.761 2.731 -16.772 1.00 61.05 H new ATOM 0 HD3 LYS A 37 4.254 2.809 -18.452 1.00 61.05 H new ATOM 0 HE2 LYS A 37 4.312 5.402 -16.985 1.00 3.43 H new ATOM 0 HE3 LYS A 37 5.458 4.201 -16.426 1.00 3.43 H new ATOM 0 HZ1 LYS A 37 6.409 5.582 -18.155 1.00 63.20 H new ATOM 0 HZ2 LYS A 37 6.289 3.978 -18.697 1.00 63.20 H new ATOM 0 HZ3 LYS A 37 5.178 5.142 -19.238 1.00 63.20 H new ATOM 554 N TYR A 38 -0.073 6.209 -14.716 1.00 21.53 N ATOM 555 CA TYR A 38 -1.383 6.691 -14.294 1.00 61.43 C ATOM 556 C TYR A 38 -1.662 8.078 -14.864 1.00 70.04 C ATOM 557 O TYR A 38 -0.746 8.873 -15.068 1.00 42.23 O ATOM 558 CB TYR A 38 -1.469 6.728 -12.768 1.00 31.44 C ATOM 559 CG TYR A 38 -2.382 7.811 -12.239 1.00 23.13 C ATOM 560 CD1 TYR A 38 -1.897 9.085 -11.970 1.00 4.00 C ATOM 561 CD2 TYR A 38 -3.728 7.560 -12.007 1.00 15.52 C ATOM 562 CE1 TYR A 38 -2.726 10.078 -11.486 1.00 74.10 C ATOM 563 CE2 TYR A 38 -4.566 8.548 -11.524 1.00 61.55 C ATOM 564 CZ TYR A 38 -4.060 9.804 -11.265 1.00 52.44 C ATOM 565 OH TYR A 38 -4.891 10.790 -10.783 1.00 61.05 O ATOM 0 H TYR A 38 0.704 6.813 -14.450 1.00 21.53 H new ATOM 0 HA TYR A 38 -2.136 6.002 -14.677 1.00 61.43 H new ATOM 0 HB2 TYR A 38 -1.820 5.761 -12.409 1.00 31.44 H new ATOM 0 HB3 TYR A 38 -0.469 6.876 -12.360 1.00 31.44 H new ATOM 0 HD1 TYR A 38 -0.853 9.303 -12.142 1.00 4.00 H new ATOM 0 HD2 TYR A 38 -4.127 6.577 -12.207 1.00 15.52 H new ATOM 0 HE1 TYR A 38 -2.332 11.063 -11.282 1.00 74.10 H new ATOM 0 HE2 TYR A 38 -5.611 8.337 -11.351 1.00 61.55 H new ATOM 0 HH TYR A 38 -5.799 10.434 -10.684 1.00 61.05 H new ATOM 575 N ASN A 39 -2.936 8.361 -15.119 1.00 25.32 N ATOM 576 CA ASN A 39 -3.337 9.652 -15.665 1.00 74.33 C ATOM 577 C ASN A 39 -4.814 9.922 -15.392 1.00 41.22 C ATOM 578 O ASN A 39 -5.591 8.997 -15.153 1.00 3.31 O ATOM 579 CB ASN A 39 -3.069 9.697 -17.171 1.00 11.40 C ATOM 580 CG ASN A 39 -2.850 11.110 -17.677 1.00 13.24 C ATOM 581 OD1 ASN A 39 -1.830 11.735 -17.386 1.00 21.54 O ATOM 582 ND2 ASN A 39 -3.811 11.621 -18.438 1.00 43.32 N ATOM 0 H ASN A 39 -3.707 7.714 -14.956 1.00 25.32 H new ATOM 0 HA ASN A 39 -2.747 10.426 -15.174 1.00 74.33 H new ATOM 0 HB2 ASN A 39 -2.192 9.092 -17.399 1.00 11.40 H new ATOM 0 HB3 ASN A 39 -3.911 9.251 -17.701 1.00 11.40 H new ATOM 0 HD21 ASN A 39 -3.720 12.568 -18.807 1.00 43.32 H new ATOM 0 HD22 ASN A 39 -4.640 11.067 -18.654 1.00 43.32 H new ATOM 589 N ILE A 40 -5.193 11.195 -15.430 1.00 53.02 N ATOM 590 CA ILE A 40 -6.576 11.587 -15.189 1.00 33.14 C ATOM 591 C ILE A 40 -7.155 12.328 -16.389 1.00 13.33 C ATOM 592 O ILE A 40 -6.600 13.330 -16.840 1.00 12.41 O ATOM 593 CB ILE A 40 -6.698 12.480 -13.940 1.00 15.02 C ATOM 594 CG1 ILE A 40 -5.312 12.805 -13.381 1.00 23.23 C ATOM 595 CG2 ILE A 40 -7.555 11.799 -12.883 1.00 73.12 C ATOM 596 CD1 ILE A 40 -5.350 13.620 -12.107 1.00 25.31 C ATOM 0 H ILE A 40 -4.562 11.972 -15.625 1.00 53.02 H new ATOM 0 HA ILE A 40 -7.140 10.669 -15.026 1.00 33.14 H new ATOM 0 HB ILE A 40 -7.182 13.414 -14.226 1.00 15.02 H new ATOM 0 HG12 ILE A 40 -4.778 11.874 -13.191 1.00 23.23 H new ATOM 0 HG13 ILE A 40 -4.744 13.350 -14.135 1.00 23.23 H new ATOM 0 HG21 ILE A 40 -7.632 12.443 -12.007 1.00 73.12 H new ATOM 0 HG22 ILE A 40 -8.551 11.614 -13.286 1.00 73.12 H new ATOM 0 HG23 ILE A 40 -7.097 10.852 -12.598 1.00 73.12 H new ATOM 0 HD11 ILE A 40 -4.332 13.813 -11.768 1.00 25.31 H new ATOM 0 HD12 ILE A 40 -5.855 14.567 -12.296 1.00 25.31 H new ATOM 0 HD13 ILE A 40 -5.890 13.068 -11.338 1.00 25.31 H new ATOM 608 N PHE A 41 -8.276 11.830 -16.901 1.00 1.13 N ATOM 609 CA PHE A 41 -8.932 12.446 -18.049 1.00 23.34 C ATOM 610 C PHE A 41 -10.416 12.669 -17.772 1.00 64.30 C ATOM 611 O PHE A 41 -11.019 11.971 -16.956 1.00 24.24 O ATOM 612 CB PHE A 41 -8.759 11.570 -19.292 1.00 1.25 C ATOM 613 CG PHE A 41 -8.864 10.099 -19.008 1.00 2.02 C ATOM 614 CD1 PHE A 41 -10.046 9.554 -18.532 1.00 41.43 C ATOM 615 CD2 PHE A 41 -7.781 9.261 -19.217 1.00 62.31 C ATOM 616 CE1 PHE A 41 -10.145 8.201 -18.270 1.00 3.13 C ATOM 617 CE2 PHE A 41 -7.874 7.906 -18.957 1.00 2.43 C ATOM 618 CZ PHE A 41 -9.058 7.376 -18.483 1.00 62.13 C ATOM 0 H PHE A 41 -8.749 11.002 -16.539 1.00 1.13 H new ATOM 0 HA PHE A 41 -8.464 13.414 -18.227 1.00 23.34 H new ATOM 0 HB2 PHE A 41 -9.514 11.845 -20.028 1.00 1.25 H new ATOM 0 HB3 PHE A 41 -7.787 11.777 -19.740 1.00 1.25 H new ATOM 0 HD1 PHE A 41 -10.899 10.194 -18.364 1.00 41.43 H new ATOM 0 HD2 PHE A 41 -6.853 9.671 -19.587 1.00 62.31 H new ATOM 0 HE1 PHE A 41 -11.072 7.789 -17.899 1.00 3.13 H new ATOM 0 HE2 PHE A 41 -7.022 7.263 -19.124 1.00 2.43 H new ATOM 0 HZ PHE A 41 -9.134 6.318 -18.279 1.00 62.13 H new ATOM 628 N LEU A 42 -10.998 13.646 -18.457 1.00 54.32 N ATOM 629 CA LEU A 42 -12.412 13.963 -18.286 1.00 51.12 C ATOM 630 C LEU A 42 -13.198 13.649 -19.555 1.00 41.02 C ATOM 631 O LEU A 42 -12.876 14.143 -20.636 1.00 2.01 O ATOM 632 CB LEU A 42 -12.584 15.438 -17.918 1.00 65.04 C ATOM 633 CG LEU A 42 -13.942 16.058 -18.247 1.00 11.11 C ATOM 634 CD1 LEU A 42 -15.066 15.233 -17.641 1.00 33.35 C ATOM 635 CD2 LEU A 42 -14.006 17.495 -17.751 1.00 51.42 C ATOM 0 H LEU A 42 -10.513 14.233 -19.136 1.00 54.32 H new ATOM 0 HA LEU A 42 -12.802 13.345 -17.477 1.00 51.12 H new ATOM 0 HB2 LEU A 42 -12.407 15.548 -16.848 1.00 65.04 H new ATOM 0 HB3 LEU A 42 -11.811 16.012 -18.430 1.00 65.04 H new ATOM 0 HG LEU A 42 -14.065 16.062 -19.330 1.00 11.11 H new ATOM 0 HD11 LEU A 42 -16.025 15.690 -17.886 1.00 33.35 H new ATOM 0 HD12 LEU A 42 -15.033 14.221 -18.044 1.00 33.35 H new ATOM 0 HD13 LEU A 42 -14.947 15.196 -16.558 1.00 33.35 H new ATOM 0 HD21 LEU A 42 -14.980 17.921 -17.994 1.00 51.42 H new ATOM 0 HD22 LEU A 42 -13.861 17.514 -16.671 1.00 51.42 H new ATOM 0 HD23 LEU A 42 -13.223 18.081 -18.233 1.00 51.42 H new ATOM 647 N VAL A 43 -14.232 12.826 -19.416 1.00 72.42 N ATOM 648 CA VAL A 43 -15.067 12.448 -20.551 1.00 3.15 C ATOM 649 C VAL A 43 -16.403 13.180 -20.517 1.00 54.52 C ATOM 650 O VAL A 43 -17.043 13.278 -19.470 1.00 55.11 O ATOM 651 CB VAL A 43 -15.326 10.930 -20.576 1.00 10.01 C ATOM 652 CG1 VAL A 43 -14.165 10.179 -19.943 1.00 3.13 C ATOM 653 CG2 VAL A 43 -16.633 10.601 -19.870 1.00 3.32 C ATOM 0 H VAL A 43 -14.512 12.408 -18.529 1.00 72.42 H new ATOM 0 HA VAL A 43 -14.524 12.731 -21.453 1.00 3.15 H new ATOM 0 HB VAL A 43 -15.410 10.611 -21.615 1.00 10.01 H new ATOM 0 HG11 VAL A 43 -14.366 9.108 -19.970 1.00 3.13 H new ATOM 0 HG12 VAL A 43 -13.250 10.390 -20.496 1.00 3.13 H new ATOM 0 HG13 VAL A 43 -14.045 10.500 -18.908 1.00 3.13 H new ATOM 0 HG21 VAL A 43 -16.800 9.524 -19.897 1.00 3.32 H new ATOM 0 HG22 VAL A 43 -16.580 10.934 -18.833 1.00 3.32 H new ATOM 0 HG23 VAL A 43 -17.456 11.109 -20.373 1.00 3.32 H new ATOM 663 N ASP A 44 -16.819 13.693 -21.670 1.00 15.31 N ATOM 664 CA ASP A 44 -18.082 14.416 -21.774 1.00 2.12 C ATOM 665 C ASP A 44 -18.862 13.973 -23.008 1.00 22.24 C ATOM 666 O ASP A 44 -18.542 14.363 -24.131 1.00 44.11 O ATOM 667 CB ASP A 44 -17.828 15.923 -21.830 1.00 42.30 C ATOM 668 CG ASP A 44 -16.677 16.283 -22.750 1.00 33.45 C ATOM 669 OD1 ASP A 44 -16.912 16.417 -23.968 1.00 52.14 O ATOM 670 OD2 ASP A 44 -15.542 16.429 -22.250 1.00 64.53 O ATOM 0 H ASP A 44 -16.300 13.622 -22.545 1.00 15.31 H new ATOM 0 HA ASP A 44 -18.677 14.188 -20.889 1.00 2.12 H new ATOM 0 HB2 ASP A 44 -18.732 16.428 -22.169 1.00 42.30 H new ATOM 0 HB3 ASP A 44 -17.615 16.290 -20.826 1.00 42.30 H new ATOM 675 N LEU A 45 -19.886 13.155 -22.791 1.00 62.32 N ATOM 676 CA LEU A 45 -20.712 12.657 -23.886 1.00 22.22 C ATOM 677 C LEU A 45 -22.159 12.480 -23.439 1.00 15.41 C ATOM 678 O LEU A 45 -22.441 12.353 -22.247 1.00 63.40 O ATOM 679 CB LEU A 45 -20.160 11.327 -24.403 1.00 52.11 C ATOM 680 CG LEU A 45 -19.665 11.323 -25.850 1.00 1.23 C ATOM 681 CD1 LEU A 45 -20.786 11.717 -26.799 1.00 32.32 C ATOM 682 CD2 LEU A 45 -18.476 12.259 -26.009 1.00 2.31 C ATOM 0 H LEU A 45 -20.164 12.823 -21.868 1.00 62.32 H new ATOM 0 HA LEU A 45 -20.687 13.392 -24.691 1.00 22.22 H new ATOM 0 HB2 LEU A 45 -19.336 11.023 -23.757 1.00 52.11 H new ATOM 0 HB3 LEU A 45 -20.938 10.570 -24.304 1.00 52.11 H new ATOM 0 HG LEU A 45 -19.343 10.312 -26.101 1.00 1.23 H new ATOM 0 HD11 LEU A 45 -20.415 11.709 -27.824 1.00 32.32 H new ATOM 0 HD12 LEU A 45 -21.608 11.008 -26.705 1.00 32.32 H new ATOM 0 HD13 LEU A 45 -21.139 12.717 -26.549 1.00 32.32 H new ATOM 0 HD21 LEU A 45 -18.137 12.244 -27.045 1.00 2.31 H new ATOM 0 HD22 LEU A 45 -18.772 13.273 -25.739 1.00 2.31 H new ATOM 0 HD23 LEU A 45 -17.666 11.932 -25.357 1.00 2.31 H new ATOM 694 N TYR A 46 -23.074 12.472 -24.402 1.00 43.45 N ATOM 695 CA TYR A 46 -24.493 12.312 -24.108 1.00 63.44 C ATOM 696 C TYR A 46 -25.007 13.469 -23.258 1.00 55.23 C ATOM 697 O TYR A 46 -26.026 13.351 -22.579 1.00 74.32 O ATOM 698 CB TYR A 46 -24.738 10.986 -23.387 1.00 35.43 C ATOM 699 CG TYR A 46 -24.219 9.781 -24.139 1.00 42.40 C ATOM 700 CD1 TYR A 46 -24.926 9.247 -25.209 1.00 12.32 C ATOM 701 CD2 TYR A 46 -23.019 9.178 -23.780 1.00 55.23 C ATOM 702 CE1 TYR A 46 -24.455 8.147 -25.898 1.00 75.24 C ATOM 703 CE2 TYR A 46 -22.540 8.078 -24.465 1.00 53.21 C ATOM 704 CZ TYR A 46 -23.262 7.566 -25.523 1.00 31.00 C ATOM 705 OH TYR A 46 -22.789 6.470 -26.208 1.00 50.42 O ATOM 0 H TYR A 46 -22.858 12.575 -25.394 1.00 43.45 H new ATOM 0 HA TYR A 46 -25.037 12.311 -25.053 1.00 63.44 H new ATOM 0 HB2 TYR A 46 -24.264 11.023 -22.406 1.00 35.43 H new ATOM 0 HB3 TYR A 46 -25.808 10.866 -23.220 1.00 35.43 H new ATOM 0 HD1 TYR A 46 -25.860 9.700 -25.507 1.00 12.32 H new ATOM 0 HD2 TYR A 46 -22.452 9.576 -22.952 1.00 55.23 H new ATOM 0 HE1 TYR A 46 -25.018 7.744 -26.727 1.00 75.24 H new ATOM 0 HE2 TYR A 46 -21.606 7.622 -24.174 1.00 53.21 H new ATOM 0 HH TYR A 46 -21.937 6.183 -25.818 1.00 50.42 H new ATOM 715 N GLY A 47 -24.294 14.590 -23.302 1.00 41.43 N ATOM 716 CA GLY A 47 -24.693 15.754 -22.533 1.00 10.40 C ATOM 717 C GLY A 47 -24.183 15.709 -21.106 1.00 41.23 C ATOM 718 O GLY A 47 -24.254 16.703 -20.384 1.00 21.00 O ATOM 0 H GLY A 47 -23.447 14.713 -23.857 1.00 41.43 H new ATOM 0 HA2 GLY A 47 -24.319 16.654 -23.021 1.00 10.40 H new ATOM 0 HA3 GLY A 47 -25.781 15.825 -22.525 1.00 10.40 H new ATOM 722 N GLN A 48 -23.669 14.553 -20.700 1.00 31.24 N ATOM 723 CA GLN A 48 -23.148 14.382 -19.349 1.00 3.34 C ATOM 724 C GLN A 48 -21.625 14.293 -19.360 1.00 72.50 C ATOM 725 O GLN A 48 -21.032 13.739 -20.286 1.00 50.11 O ATOM 726 CB GLN A 48 -23.740 13.127 -18.705 1.00 64.15 C ATOM 727 CG GLN A 48 -25.245 13.006 -18.880 1.00 62.10 C ATOM 728 CD GLN A 48 -25.975 12.852 -17.560 1.00 62.54 C ATOM 729 OE1 GLN A 48 -26.764 11.924 -17.379 1.00 25.51 O ATOM 730 NE2 GLN A 48 -25.715 13.763 -16.630 1.00 32.52 N ATOM 0 H GLN A 48 -23.602 13.721 -21.287 1.00 31.24 H new ATOM 0 HA GLN A 48 -23.439 15.253 -18.762 1.00 3.34 H new ATOM 0 HB2 GLN A 48 -23.261 12.247 -19.135 1.00 64.15 H new ATOM 0 HB3 GLN A 48 -23.505 13.130 -17.641 1.00 64.15 H new ATOM 0 HG2 GLN A 48 -25.619 13.890 -19.397 1.00 62.10 H new ATOM 0 HG3 GLN A 48 -25.465 12.148 -19.515 1.00 62.10 H new ATOM 0 HE21 GLN A 48 -25.054 14.515 -16.824 1.00 32.52 H new ATOM 0 HE22 GLN A 48 -26.176 13.711 -15.722 1.00 32.52 H new ATOM 739 N LYS A 49 -20.997 14.841 -18.325 1.00 75.22 N ATOM 740 CA LYS A 49 -19.544 14.823 -18.214 1.00 63.55 C ATOM 741 C LYS A 49 -19.106 14.174 -16.905 1.00 1.31 C ATOM 742 O LYS A 49 -19.602 14.522 -15.833 1.00 23.11 O ATOM 743 CB LYS A 49 -18.987 16.245 -18.303 1.00 11.44 C ATOM 744 CG LYS A 49 -19.648 17.218 -17.341 1.00 24.44 C ATOM 745 CD LYS A 49 -18.914 17.272 -16.011 1.00 61.31 C ATOM 746 CE LYS A 49 -18.097 18.547 -15.877 1.00 43.50 C ATOM 747 NZ LYS A 49 -18.936 19.702 -15.451 1.00 62.41 N ATOM 0 H LYS A 49 -21.473 15.304 -17.550 1.00 75.22 H new ATOM 0 HA LYS A 49 -19.149 14.233 -19.041 1.00 63.55 H new ATOM 0 HB2 LYS A 49 -17.916 16.220 -18.103 1.00 11.44 H new ATOM 0 HB3 LYS A 49 -19.112 16.612 -19.322 1.00 11.44 H new ATOM 0 HG2 LYS A 49 -19.670 18.213 -17.786 1.00 24.44 H new ATOM 0 HG3 LYS A 49 -20.683 16.920 -17.175 1.00 24.44 H new ATOM 0 HD2 LYS A 49 -19.634 17.212 -15.194 1.00 61.31 H new ATOM 0 HD3 LYS A 49 -18.257 16.407 -15.921 1.00 61.31 H new ATOM 0 HE2 LYS A 49 -17.298 18.392 -15.152 1.00 43.50 H new ATOM 0 HE3 LYS A 49 -17.622 18.776 -16.831 1.00 43.50 H new ATOM 0 HZ1 LYS A 49 -18.342 20.552 -15.371 1.00 62.41 H new ATOM 0 HZ2 LYS A 49 -19.683 19.867 -16.155 1.00 62.41 H new ATOM 0 HZ3 LYS A 49 -19.369 19.495 -14.529 1.00 62.41 H new ATOM 761 N TYR A 50 -18.174 13.232 -16.999 1.00 50.51 N ATOM 762 CA TYR A 50 -17.670 12.535 -15.822 1.00 13.33 C ATOM 763 C TYR A 50 -16.148 12.443 -15.853 1.00 62.33 C ATOM 764 O TYR A 50 -15.535 12.468 -16.921 1.00 25.14 O ATOM 765 CB TYR A 50 -18.276 11.133 -15.735 1.00 40.42 C ATOM 766 CG TYR A 50 -19.763 11.098 -16.006 1.00 11.51 C ATOM 767 CD1 TYR A 50 -20.638 11.913 -15.297 1.00 23.51 C ATOM 768 CD2 TYR A 50 -20.293 10.252 -16.972 1.00 35.23 C ATOM 769 CE1 TYR A 50 -21.997 11.883 -15.540 1.00 51.25 C ATOM 770 CE2 TYR A 50 -21.652 10.217 -17.223 1.00 65.10 C ATOM 771 CZ TYR A 50 -22.499 11.034 -16.505 1.00 12.15 C ATOM 772 OH TYR A 50 -23.853 11.003 -16.751 1.00 64.01 O ATOM 0 H TYR A 50 -17.752 12.934 -17.878 1.00 50.51 H new ATOM 0 HA TYR A 50 -17.963 13.105 -14.940 1.00 13.33 H new ATOM 0 HB2 TYR A 50 -17.770 10.483 -16.448 1.00 40.42 H new ATOM 0 HB3 TYR A 50 -18.087 10.725 -14.742 1.00 40.42 H new ATOM 0 HD1 TYR A 50 -20.248 12.581 -14.543 1.00 23.51 H new ATOM 0 HD2 TYR A 50 -19.632 9.611 -17.536 1.00 35.23 H new ATOM 0 HE1 TYR A 50 -22.663 12.521 -14.978 1.00 51.25 H new ATOM 0 HE2 TYR A 50 -22.048 9.553 -17.977 1.00 65.10 H new ATOM 0 HH TYR A 50 -24.042 10.353 -17.460 1.00 64.01 H new ATOM 782 N PHE A 51 -15.544 12.335 -14.675 1.00 23.34 N ATOM 783 CA PHE A 51 -14.093 12.238 -14.565 1.00 43.42 C ATOM 784 C PHE A 51 -13.664 10.806 -14.258 1.00 53.42 C ATOM 785 O PHE A 51 -14.214 10.161 -13.366 1.00 21.42 O ATOM 786 CB PHE A 51 -13.578 13.181 -13.475 1.00 55.34 C ATOM 787 CG PHE A 51 -13.741 14.635 -13.815 1.00 11.30 C ATOM 788 CD1 PHE A 51 -14.999 15.216 -13.849 1.00 63.12 C ATOM 789 CD2 PHE A 51 -12.636 15.421 -14.101 1.00 14.44 C ATOM 790 CE1 PHE A 51 -15.152 16.554 -14.161 1.00 61.20 C ATOM 791 CE2 PHE A 51 -12.783 16.760 -14.413 1.00 34.34 C ATOM 792 CZ PHE A 51 -14.043 17.326 -14.444 1.00 43.41 C ATOM 0 H PHE A 51 -16.037 12.312 -13.782 1.00 23.34 H new ATOM 0 HA PHE A 51 -13.662 12.530 -15.522 1.00 43.42 H new ATOM 0 HB2 PHE A 51 -14.107 12.972 -12.545 1.00 55.34 H new ATOM 0 HB3 PHE A 51 -12.523 12.974 -13.295 1.00 55.34 H new ATOM 0 HD1 PHE A 51 -15.870 14.616 -13.629 1.00 63.12 H new ATOM 0 HD2 PHE A 51 -11.649 14.983 -14.080 1.00 14.44 H new ATOM 0 HE1 PHE A 51 -16.138 16.995 -14.183 1.00 61.20 H new ATOM 0 HE2 PHE A 51 -11.914 17.363 -14.632 1.00 34.34 H new ATOM 0 HZ PHE A 51 -14.160 18.371 -14.689 1.00 43.41 H new ATOM 802 N ARG A 52 -12.680 10.317 -15.005 1.00 23.13 N ATOM 803 CA ARG A 52 -12.178 8.961 -14.814 1.00 53.24 C ATOM 804 C ARG A 52 -10.653 8.939 -14.825 1.00 44.43 C ATOM 805 O ARG A 52 -10.016 9.743 -15.506 1.00 45.55 O ATOM 806 CB ARG A 52 -12.720 8.036 -15.906 1.00 10.32 C ATOM 807 CG ARG A 52 -14.190 7.690 -15.736 1.00 31.30 C ATOM 808 CD ARG A 52 -15.077 8.598 -16.573 1.00 40.11 C ATOM 809 NE ARG A 52 -16.466 8.146 -16.587 1.00 65.33 N ATOM 810 CZ ARG A 52 -16.875 7.049 -17.215 1.00 42.14 C ATOM 811 NH1 ARG A 52 -16.006 6.297 -17.877 1.00 32.43 N ATOM 812 NH2 ARG A 52 -18.155 6.703 -17.182 1.00 73.14 N ATOM 0 H ARG A 52 -12.215 10.839 -15.748 1.00 23.13 H new ATOM 0 HA ARG A 52 -12.522 8.606 -13.842 1.00 53.24 H new ATOM 0 HB2 ARG A 52 -12.577 8.511 -16.877 1.00 10.32 H new ATOM 0 HB3 ARG A 52 -12.137 7.115 -15.913 1.00 10.32 H new ATOM 0 HG2 ARG A 52 -14.356 6.652 -16.024 1.00 31.30 H new ATOM 0 HG3 ARG A 52 -14.466 7.778 -14.685 1.00 31.30 H new ATOM 0 HD2 ARG A 52 -15.030 9.613 -16.179 1.00 40.11 H new ATOM 0 HD3 ARG A 52 -14.697 8.634 -17.594 1.00 40.11 H new ATOM 0 HE ARG A 52 -17.159 8.703 -16.088 1.00 65.33 H new ATOM 0 HH11 ARG A 52 -15.021 6.560 -17.905 1.00 32.43 H new ATOM 0 HH12 ARG A 52 -16.323 5.455 -18.358 1.00 32.43 H new ATOM 0 HH21 ARG A 52 -18.826 7.279 -16.674 1.00 73.14 H new ATOM 0 HH22 ARG A 52 -18.468 5.861 -17.664 1.00 73.14 H new ATOM 826 N ILE A 53 -10.074 8.015 -14.067 1.00 22.15 N ATOM 827 CA ILE A 53 -8.624 7.889 -13.990 1.00 23.53 C ATOM 828 C ILE A 53 -8.170 6.495 -14.411 1.00 73.12 C ATOM 829 O ILE A 53 -8.775 5.492 -14.031 1.00 34.30 O ATOM 830 CB ILE A 53 -8.108 8.176 -12.567 1.00 72.51 C ATOM 831 CG1 ILE A 53 -8.108 6.893 -11.733 1.00 24.11 C ATOM 832 CG2 ILE A 53 -8.959 9.246 -11.901 1.00 53.53 C ATOM 833 CD1 ILE A 53 -6.827 6.096 -11.851 1.00 12.13 C ATOM 0 H ILE A 53 -10.587 7.342 -13.497 1.00 22.15 H new ATOM 0 HA ILE A 53 -8.207 8.627 -14.675 1.00 23.53 H new ATOM 0 HB ILE A 53 -7.084 8.544 -12.635 1.00 72.51 H new ATOM 0 HG12 ILE A 53 -8.272 7.150 -10.686 1.00 24.11 H new ATOM 0 HG13 ILE A 53 -8.945 6.268 -12.043 1.00 24.11 H new ATOM 0 HG21 ILE A 53 -8.582 9.438 -10.896 1.00 53.53 H new ATOM 0 HG22 ILE A 53 -8.914 10.164 -12.487 1.00 53.53 H new ATOM 0 HG23 ILE A 53 -9.992 8.904 -11.842 1.00 53.53 H new ATOM 0 HD11 ILE A 53 -6.898 5.200 -11.234 1.00 12.13 H new ATOM 0 HD12 ILE A 53 -6.672 5.809 -12.891 1.00 12.13 H new ATOM 0 HD13 ILE A 53 -5.988 6.704 -11.513 1.00 12.13 H new ATOM 845 N LEU A 54 -7.101 6.439 -15.197 1.00 41.53 N ATOM 846 CA LEU A 54 -6.564 5.168 -15.670 1.00 3.14 C ATOM 847 C LEU A 54 -5.163 4.929 -15.115 1.00 41.11 C ATOM 848 O LEU A 54 -4.237 5.692 -15.389 1.00 43.44 O ATOM 849 CB LEU A 54 -6.530 5.143 -17.199 1.00 34.53 C ATOM 850 CG LEU A 54 -6.795 3.786 -17.853 1.00 42.13 C ATOM 851 CD1 LEU A 54 -6.342 3.797 -19.305 1.00 75.22 C ATOM 852 CD2 LEU A 54 -6.094 2.677 -17.083 1.00 34.54 C ATOM 0 H LEU A 54 -6.589 7.259 -15.521 1.00 41.53 H new ATOM 0 HA LEU A 54 -7.217 4.371 -15.314 1.00 3.14 H new ATOM 0 HB2 LEU A 54 -7.268 5.854 -17.571 1.00 34.53 H new ATOM 0 HB3 LEU A 54 -5.553 5.498 -17.527 1.00 34.53 H new ATOM 0 HG LEU A 54 -7.868 3.596 -17.829 1.00 42.13 H new ATOM 0 HD11 LEU A 54 -6.538 2.824 -19.755 1.00 75.22 H new ATOM 0 HD12 LEU A 54 -6.889 4.566 -19.851 1.00 75.22 H new ATOM 0 HD13 LEU A 54 -5.274 4.010 -19.351 1.00 75.22 H new ATOM 0 HD21 LEU A 54 -6.294 1.719 -17.563 1.00 34.54 H new ATOM 0 HD22 LEU A 54 -5.020 2.862 -17.075 1.00 34.54 H new ATOM 0 HD23 LEU A 54 -6.466 2.654 -16.059 1.00 34.54 H new ATOM 864 N PHE A 55 -5.015 3.863 -14.335 1.00 42.32 N ATOM 865 CA PHE A 55 -3.727 3.523 -13.743 1.00 25.40 C ATOM 866 C PHE A 55 -3.282 2.128 -14.173 1.00 33.51 C ATOM 867 O PHE A 55 -3.976 1.141 -13.926 1.00 41.35 O ATOM 868 CB PHE A 55 -3.807 3.597 -12.217 1.00 34.42 C ATOM 869 CG PHE A 55 -2.678 2.891 -11.522 1.00 1.52 C ATOM 870 CD1 PHE A 55 -1.388 2.961 -12.022 1.00 61.44 C ATOM 871 CD2 PHE A 55 -2.907 2.159 -10.368 1.00 65.00 C ATOM 872 CE1 PHE A 55 -0.346 2.313 -11.385 1.00 51.10 C ATOM 873 CE2 PHE A 55 -1.869 1.510 -9.726 1.00 62.12 C ATOM 874 CZ PHE A 55 -0.587 1.586 -10.236 1.00 33.00 C ATOM 0 H PHE A 55 -5.771 3.220 -14.099 1.00 42.32 H new ATOM 0 HA PHE A 55 -2.991 4.245 -14.097 1.00 25.40 H new ATOM 0 HB2 PHE A 55 -3.813 4.643 -11.912 1.00 34.42 H new ATOM 0 HB3 PHE A 55 -4.752 3.164 -11.889 1.00 34.42 H new ATOM 0 HD1 PHE A 55 -1.194 3.529 -12.920 1.00 61.44 H new ATOM 0 HD2 PHE A 55 -3.907 2.095 -9.966 1.00 65.00 H new ATOM 0 HE1 PHE A 55 0.655 2.375 -11.785 1.00 51.10 H new ATOM 0 HE2 PHE A 55 -2.060 0.944 -8.826 1.00 62.12 H new ATOM 0 HZ PHE A 55 0.225 1.078 -9.737 1.00 33.00 H new ATOM 884 N GLN A 56 -2.122 2.055 -14.817 1.00 60.21 N ATOM 885 CA GLN A 56 -1.586 0.781 -15.283 1.00 3.35 C ATOM 886 C GLN A 56 -0.103 0.659 -14.946 1.00 13.21 C ATOM 887 O GLN A 56 0.602 1.662 -14.831 1.00 33.34 O ATOM 888 CB GLN A 56 -1.792 0.638 -16.792 1.00 4.25 C ATOM 889 CG GLN A 56 -1.229 1.800 -17.595 1.00 73.52 C ATOM 890 CD GLN A 56 -1.656 1.764 -19.049 1.00 60.24 C ATOM 891 OE1 GLN A 56 -0.854 1.469 -19.936 1.00 54.25 O ATOM 892 NE2 GLN A 56 -2.925 2.064 -19.302 1.00 5.20 N ATOM 0 H GLN A 56 -1.535 2.862 -15.028 1.00 60.21 H new ATOM 0 HA GLN A 56 -2.123 -0.019 -14.773 1.00 3.35 H new ATOM 0 HB2 GLN A 56 -1.323 -0.287 -17.128 1.00 4.25 H new ATOM 0 HB3 GLN A 56 -2.859 0.548 -16.998 1.00 4.25 H new ATOM 0 HG2 GLN A 56 -1.556 2.739 -17.147 1.00 73.52 H new ATOM 0 HG3 GLN A 56 -0.141 1.782 -17.539 1.00 73.52 H new ATOM 0 HE21 GLN A 56 -3.555 2.303 -18.536 1.00 5.20 H new ATOM 0 HE22 GLN A 56 -3.269 2.056 -20.262 1.00 5.20 H new ATOM 901 N SER A 57 0.363 -0.575 -14.789 1.00 22.51 N ATOM 902 CA SER A 57 1.761 -0.829 -14.461 1.00 44.51 C ATOM 903 C SER A 57 2.443 -1.627 -15.568 1.00 41.44 C ATOM 904 O SER A 57 1.811 -2.012 -16.552 1.00 33.32 O ATOM 905 CB SER A 57 1.868 -1.582 -13.134 1.00 73.31 C ATOM 906 OG SER A 57 3.142 -1.397 -12.543 1.00 0.43 O ATOM 0 H SER A 57 -0.207 -1.415 -14.884 1.00 22.51 H new ATOM 0 HA SER A 57 2.266 0.132 -14.366 1.00 44.51 H new ATOM 0 HB2 SER A 57 1.093 -1.233 -12.451 1.00 73.31 H new ATOM 0 HB3 SER A 57 1.692 -2.645 -13.300 1.00 73.31 H new ATOM 0 HG SER A 57 3.060 -1.443 -11.568 1.00 0.43 H new ATOM 912 N LYS A 58 3.738 -1.871 -15.401 1.00 44.22 N ATOM 913 CA LYS A 58 4.509 -2.624 -16.384 1.00 54.30 C ATOM 914 C LYS A 58 4.592 -4.097 -15.998 1.00 14.04 C ATOM 915 O LYS A 58 4.808 -4.961 -16.847 1.00 74.34 O ATOM 916 CB LYS A 58 5.917 -2.040 -16.515 1.00 1.33 C ATOM 917 CG LYS A 58 6.585 -2.355 -17.842 1.00 5.33 C ATOM 918 CD LYS A 58 6.250 -1.313 -18.896 1.00 71.42 C ATOM 919 CE LYS A 58 7.083 -0.053 -18.720 1.00 14.15 C ATOM 920 NZ LYS A 58 6.644 1.035 -19.638 1.00 23.53 N ATOM 0 H LYS A 58 4.277 -1.558 -14.593 1.00 44.22 H new ATOM 0 HA LYS A 58 4.000 -2.546 -17.345 1.00 54.30 H new ATOM 0 HB2 LYS A 58 5.866 -0.958 -16.391 1.00 1.33 H new ATOM 0 HB3 LYS A 58 6.537 -2.424 -15.705 1.00 1.33 H new ATOM 0 HG2 LYS A 58 7.665 -2.401 -17.705 1.00 5.33 H new ATOM 0 HG3 LYS A 58 6.266 -3.338 -18.187 1.00 5.33 H new ATOM 0 HD2 LYS A 58 6.423 -1.729 -19.888 1.00 71.42 H new ATOM 0 HD3 LYS A 58 5.191 -1.061 -18.837 1.00 71.42 H new ATOM 0 HE2 LYS A 58 7.009 0.290 -17.688 1.00 14.15 H new ATOM 0 HE3 LYS A 58 8.132 -0.283 -18.905 1.00 14.15 H new ATOM 0 HZ1 LYS A 58 7.236 1.876 -19.487 1.00 23.53 H new ATOM 0 HZ2 LYS A 58 6.739 0.717 -20.624 1.00 23.53 H new ATOM 0 HZ3 LYS A 58 5.650 1.272 -19.445 1.00 23.53 H new ATOM 934 N LYS A 59 4.417 -4.377 -14.711 1.00 23.05 N ATOM 935 CA LYS A 59 4.470 -5.746 -14.211 1.00 15.11 C ATOM 936 C LYS A 59 3.168 -6.483 -14.508 1.00 32.41 C ATOM 937 O LYS A 59 3.041 -7.677 -14.229 1.00 52.51 O ATOM 938 CB LYS A 59 4.739 -5.751 -12.704 1.00 53.14 C ATOM 939 CG LYS A 59 5.874 -4.833 -12.286 1.00 64.14 C ATOM 940 CD LYS A 59 6.932 -5.581 -11.491 1.00 54.32 C ATOM 941 CE LYS A 59 7.840 -6.395 -12.400 1.00 30.15 C ATOM 942 NZ LYS A 59 9.255 -6.371 -11.935 1.00 73.11 N ATOM 0 H LYS A 59 4.237 -3.674 -13.995 1.00 23.05 H new ATOM 0 HA LYS A 59 5.284 -6.262 -14.720 1.00 15.11 H new ATOM 0 HB2 LYS A 59 3.831 -5.453 -12.180 1.00 53.14 H new ATOM 0 HB3 LYS A 59 4.970 -6.768 -12.388 1.00 53.14 H new ATOM 0 HG2 LYS A 59 6.329 -4.389 -13.171 1.00 64.14 H new ATOM 0 HG3 LYS A 59 5.478 -4.014 -11.686 1.00 64.14 H new ATOM 0 HD2 LYS A 59 7.529 -4.870 -10.920 1.00 54.32 H new ATOM 0 HD3 LYS A 59 6.449 -6.242 -10.772 1.00 54.32 H new ATOM 0 HE2 LYS A 59 7.487 -7.426 -12.437 1.00 30.15 H new ATOM 0 HE3 LYS A 59 7.784 -6.002 -13.415 1.00 30.15 H new ATOM 0 HZ1 LYS A 59 9.842 -6.937 -12.580 1.00 73.11 H new ATOM 0 HZ2 LYS A 59 9.600 -5.390 -11.923 1.00 73.11 H new ATOM 0 HZ3 LYS A 59 9.312 -6.769 -10.976 1.00 73.11 H new ATOM 956 N LEU A 60 2.204 -5.767 -15.076 1.00 71.40 N ATOM 957 CA LEU A 60 0.912 -6.355 -15.413 1.00 14.33 C ATOM 958 C LEU A 60 1.090 -7.665 -16.172 1.00 64.33 C ATOM 959 O LEU A 60 1.407 -7.667 -17.362 1.00 0.32 O ATOM 960 CB LEU A 60 0.087 -5.375 -16.250 1.00 33.44 C ATOM 961 CG LEU A 60 -1.322 -5.836 -16.627 1.00 2.33 C ATOM 962 CD1 LEU A 60 -1.277 -6.749 -17.842 1.00 35.45 C ATOM 963 CD2 LEU A 60 -1.985 -6.539 -15.452 1.00 34.32 C ATOM 0 H LEU A 60 2.292 -4.779 -15.313 1.00 71.40 H new ATOM 0 HA LEU A 60 0.383 -6.565 -14.483 1.00 14.33 H new ATOM 0 HB2 LEU A 60 0.006 -4.437 -15.700 1.00 33.44 H new ATOM 0 HB3 LEU A 60 0.635 -5.160 -17.167 1.00 33.44 H new ATOM 0 HG LEU A 60 -1.916 -4.958 -16.880 1.00 2.33 H new ATOM 0 HD11 LEU A 60 -2.288 -7.067 -18.096 1.00 35.45 H new ATOM 0 HD12 LEU A 60 -0.843 -6.211 -18.685 1.00 35.45 H new ATOM 0 HD13 LEU A 60 -0.667 -7.624 -17.617 1.00 35.45 H new ATOM 0 HD21 LEU A 60 -2.987 -6.860 -15.738 1.00 34.32 H new ATOM 0 HD22 LEU A 60 -1.393 -7.409 -15.167 1.00 34.32 H new ATOM 0 HD23 LEU A 60 -2.051 -5.853 -14.608 1.00 34.32 H new ATOM 975 N SER A 61 0.883 -8.779 -15.477 1.00 64.22 N ATOM 976 CA SER A 61 1.023 -10.097 -16.086 1.00 2.04 C ATOM 977 C SER A 61 -0.337 -10.769 -16.245 1.00 13.10 C ATOM 978 O SER A 61 -1.251 -10.539 -15.453 1.00 62.22 O ATOM 979 CB SER A 61 1.944 -10.978 -15.239 1.00 13.13 C ATOM 980 OG SER A 61 3.289 -10.541 -15.325 1.00 71.12 O ATOM 0 H SER A 61 0.618 -8.795 -14.492 1.00 64.22 H new ATOM 0 HA SER A 61 1.463 -9.968 -17.075 1.00 2.04 H new ATOM 0 HB2 SER A 61 1.617 -10.957 -14.199 1.00 13.13 H new ATOM 0 HB3 SER A 61 1.872 -12.013 -15.575 1.00 13.13 H new ATOM 0 HG SER A 61 3.352 -9.613 -15.016 1.00 71.12 H new ATOM 986 N GLU A 62 -0.463 -11.600 -17.275 1.00 1.10 N ATOM 987 CA GLU A 62 -1.712 -12.305 -17.539 1.00 42.31 C ATOM 988 C GLU A 62 -1.955 -13.391 -16.495 1.00 11.51 C ATOM 989 O GLU A 62 -3.087 -13.606 -16.059 1.00 23.22 O ATOM 990 CB GLU A 62 -1.688 -12.923 -18.938 1.00 70.43 C ATOM 991 CG GLU A 62 -1.967 -11.926 -20.050 1.00 15.12 C ATOM 992 CD GLU A 62 -1.796 -12.528 -21.431 1.00 34.21 C ATOM 993 OE1 GLU A 62 -2.441 -13.561 -21.711 1.00 51.41 O ATOM 994 OE2 GLU A 62 -1.018 -11.968 -22.231 1.00 35.01 O ATOM 0 H GLU A 62 0.284 -11.801 -17.940 1.00 1.10 H new ATOM 0 HA GLU A 62 -2.526 -11.583 -17.483 1.00 42.31 H new ATOM 0 HB2 GLU A 62 -0.713 -13.380 -19.107 1.00 70.43 H new ATOM 0 HB3 GLU A 62 -2.427 -13.723 -18.985 1.00 70.43 H new ATOM 0 HG2 GLU A 62 -2.984 -11.547 -19.946 1.00 15.12 H new ATOM 0 HG3 GLU A 62 -1.297 -11.073 -19.944 1.00 15.12 H new ATOM 1001 N LEU A 63 -0.886 -14.072 -16.099 1.00 2.25 N ATOM 1002 CA LEU A 63 -0.982 -15.136 -15.106 1.00 25.43 C ATOM 1003 C LEU A 63 -1.032 -14.561 -13.694 1.00 32.41 C ATOM 1004 O LEU A 63 -1.015 -13.344 -13.507 1.00 25.32 O ATOM 1005 CB LEU A 63 0.206 -16.092 -15.237 1.00 51.33 C ATOM 1006 CG LEU A 63 0.136 -17.095 -16.389 1.00 41.43 C ATOM 1007 CD1 LEU A 63 -1.130 -17.931 -16.293 1.00 14.10 C ATOM 1008 CD2 LEU A 63 0.201 -16.374 -17.728 1.00 63.32 C ATOM 0 H LEU A 63 0.057 -13.907 -16.450 1.00 2.25 H new ATOM 0 HA LEU A 63 -1.905 -15.686 -15.288 1.00 25.43 H new ATOM 0 HB2 LEU A 63 1.113 -15.499 -15.353 1.00 51.33 H new ATOM 0 HB3 LEU A 63 0.305 -16.647 -14.304 1.00 51.33 H new ATOM 0 HG LEU A 63 0.994 -17.763 -16.316 1.00 41.43 H new ATOM 0 HD11 LEU A 63 -1.162 -18.639 -17.121 1.00 14.10 H new ATOM 0 HD12 LEU A 63 -1.135 -18.476 -15.349 1.00 14.10 H new ATOM 0 HD13 LEU A 63 -2.002 -17.278 -16.340 1.00 14.10 H new ATOM 0 HD21 LEU A 63 0.150 -17.103 -18.537 1.00 63.32 H new ATOM 0 HD22 LEU A 63 -0.637 -15.682 -17.810 1.00 63.32 H new ATOM 0 HD23 LEU A 63 1.137 -15.820 -17.798 1.00 63.32 H new ATOM 1020 N HIS A 64 -1.093 -15.445 -12.702 1.00 53.34 N ATOM 1021 CA HIS A 64 -1.143 -15.025 -11.306 1.00 55.14 C ATOM 1022 C HIS A 64 -2.416 -14.232 -11.023 1.00 21.21 C ATOM 1023 O HIS A 64 -2.392 -13.013 -10.850 1.00 65.42 O ATOM 1024 CB HIS A 64 0.084 -14.182 -10.961 1.00 42.41 C ATOM 1025 CG HIS A 64 0.494 -14.281 -9.524 1.00 23.20 C ATOM 1026 ND1 HIS A 64 -0.323 -14.801 -8.542 1.00 40.24 N ATOM 1027 CD2 HIS A 64 1.644 -13.925 -8.905 1.00 21.42 C ATOM 1028 CE1 HIS A 64 0.306 -14.759 -7.381 1.00 53.23 C ATOM 1029 NE2 HIS A 64 1.502 -14.232 -7.574 1.00 33.31 N ATOM 0 H HIS A 64 -1.109 -16.456 -12.839 1.00 53.34 H new ATOM 0 HA HIS A 64 -1.147 -15.919 -10.683 1.00 55.14 H new ATOM 0 HB2 HIS A 64 0.917 -14.494 -11.590 1.00 42.41 H new ATOM 0 HB3 HIS A 64 -0.123 -13.139 -11.200 1.00 42.41 H new ATOM 0 HD2 HIS A 64 2.512 -13.482 -9.371 1.00 21.42 H new ATOM 0 HE1 HIS A 64 -0.090 -15.098 -6.435 1.00 53.23 H new ATOM 0 HE2 HIS A 64 2.206 -14.078 -6.852 1.00 33.31 H new ATOM 1037 N PRO A 65 -3.555 -14.938 -10.974 1.00 72.42 N ATOM 1038 CA PRO A 65 -4.859 -14.321 -10.712 1.00 43.12 C ATOM 1039 C PRO A 65 -4.988 -13.828 -9.275 1.00 51.42 C ATOM 1040 O PRO A 65 -5.722 -12.880 -8.999 1.00 53.51 O ATOM 1041 CB PRO A 65 -5.849 -15.457 -10.979 1.00 14.11 C ATOM 1042 CG PRO A 65 -5.068 -16.704 -10.746 1.00 43.43 C ATOM 1043 CD PRO A 65 -3.659 -16.394 -11.171 1.00 24.14 C ATOM 0 HA PRO A 65 -5.025 -13.439 -11.331 1.00 43.12 H new ATOM 0 HB2 PRO A 65 -6.709 -15.398 -10.311 1.00 14.11 H new ATOM 0 HB3 PRO A 65 -6.233 -15.415 -11.998 1.00 14.11 H new ATOM 0 HG2 PRO A 65 -5.104 -16.997 -9.697 1.00 43.43 H new ATOM 0 HG3 PRO A 65 -5.476 -17.534 -11.323 1.00 43.43 H new ATOM 0 HD2 PRO A 65 -2.929 -16.934 -10.568 1.00 24.14 H new ATOM 0 HD3 PRO A 65 -3.482 -16.672 -12.210 1.00 24.14 H new ATOM 1051 N GLU A 66 -4.270 -14.477 -8.364 1.00 62.13 N ATOM 1052 CA GLU A 66 -4.306 -14.103 -6.955 1.00 61.24 C ATOM 1053 C GLU A 66 -3.893 -12.646 -6.768 1.00 53.04 C ATOM 1054 O GLU A 66 -4.316 -11.988 -5.818 1.00 64.22 O ATOM 1055 CB GLU A 66 -3.386 -15.014 -6.139 1.00 50.24 C ATOM 1056 CG GLU A 66 -4.092 -15.729 -5.000 1.00 33.00 C ATOM 1057 CD GLU A 66 -3.183 -15.971 -3.811 1.00 14.15 C ATOM 1058 OE1 GLU A 66 -2.183 -16.702 -3.966 1.00 52.24 O ATOM 1059 OE2 GLU A 66 -3.473 -15.428 -2.723 1.00 71.44 O ATOM 0 H GLU A 66 -3.657 -15.264 -8.576 1.00 62.13 H new ATOM 0 HA GLU A 66 -5.330 -14.221 -6.600 1.00 61.24 H new ATOM 0 HB2 GLU A 66 -2.942 -15.756 -6.803 1.00 50.24 H new ATOM 0 HB3 GLU A 66 -2.568 -14.420 -5.732 1.00 50.24 H new ATOM 0 HG2 GLU A 66 -4.951 -15.138 -4.682 1.00 33.00 H new ATOM 0 HG3 GLU A 66 -4.477 -16.684 -5.358 1.00 33.00 H new ATOM 1066 N GLU A 67 -3.065 -12.150 -7.682 1.00 41.31 N ATOM 1067 CA GLU A 67 -2.594 -10.771 -7.617 1.00 31.11 C ATOM 1068 C GLU A 67 -3.722 -9.795 -7.940 1.00 22.20 C ATOM 1069 O GLU A 67 -3.829 -8.731 -7.331 1.00 12.31 O ATOM 1070 CB GLU A 67 -1.429 -10.560 -8.586 1.00 70.32 C ATOM 1071 CG GLU A 67 -0.178 -11.337 -8.212 1.00 61.32 C ATOM 1072 CD GLU A 67 0.673 -10.615 -7.186 1.00 13.51 C ATOM 1073 OE1 GLU A 67 0.100 -9.896 -6.340 1.00 24.52 O ATOM 1074 OE2 GLU A 67 1.911 -10.768 -7.229 1.00 45.22 O ATOM 0 H GLU A 67 -2.707 -12.682 -8.475 1.00 41.31 H new ATOM 0 HA GLU A 67 -2.251 -10.579 -6.600 1.00 31.11 H new ATOM 0 HB2 GLU A 67 -1.743 -10.853 -9.588 1.00 70.32 H new ATOM 0 HB3 GLU A 67 -1.188 -9.498 -8.626 1.00 70.32 H new ATOM 0 HG2 GLU A 67 -0.465 -12.312 -7.819 1.00 61.32 H new ATOM 0 HG3 GLU A 67 0.415 -11.517 -9.109 1.00 61.32 H new ATOM 1081 N ARG A 68 -4.560 -10.166 -8.903 1.00 24.03 N ATOM 1082 CA ARG A 68 -5.678 -9.323 -9.309 1.00 30.54 C ATOM 1083 C ARG A 68 -6.531 -8.934 -8.104 1.00 63.44 C ATOM 1084 O ARG A 68 -6.801 -7.755 -7.876 1.00 23.21 O ATOM 1085 CB ARG A 68 -6.540 -10.047 -10.345 1.00 22.43 C ATOM 1086 CG ARG A 68 -6.451 -9.446 -11.738 1.00 21.41 C ATOM 1087 CD ARG A 68 -6.138 -10.506 -12.783 1.00 32.02 C ATOM 1088 NE ARG A 68 -6.992 -11.682 -12.642 1.00 73.32 N ATOM 1089 CZ ARG A 68 -6.882 -12.766 -13.402 1.00 44.04 C ATOM 1090 NH1 ARG A 68 -5.958 -12.822 -14.352 1.00 24.45 N ATOM 1091 NH2 ARG A 68 -7.696 -13.796 -13.214 1.00 20.45 N ATOM 0 H ARG A 68 -4.486 -11.044 -9.416 1.00 24.03 H new ATOM 0 HA ARG A 68 -5.273 -8.414 -9.754 1.00 30.54 H new ATOM 0 HB2 ARG A 68 -6.237 -11.093 -10.390 1.00 22.43 H new ATOM 0 HB3 ARG A 68 -7.579 -10.030 -10.017 1.00 22.43 H new ATOM 0 HG2 ARG A 68 -7.393 -8.957 -11.985 1.00 21.41 H new ATOM 0 HG3 ARG A 68 -5.678 -8.677 -11.755 1.00 21.41 H new ATOM 0 HD2 ARG A 68 -6.266 -10.082 -13.779 1.00 32.02 H new ATOM 0 HD3 ARG A 68 -5.093 -10.804 -12.695 1.00 32.02 H new ATOM 0 HE ARG A 68 -7.713 -11.671 -11.920 1.00 73.32 H new ATOM 0 HH11 ARG A 68 -5.330 -12.032 -14.500 1.00 24.45 H new ATOM 0 HH12 ARG A 68 -5.875 -13.655 -14.934 1.00 24.45 H new ATOM 0 HH21 ARG A 68 -8.408 -13.757 -12.485 1.00 20.45 H new ATOM 0 HH22 ARG A 68 -7.610 -14.627 -13.799 1.00 20.45 H new ATOM 1105 N LYS A 69 -6.952 -9.934 -7.337 1.00 55.21 N ATOM 1106 CA LYS A 69 -7.774 -9.698 -6.156 1.00 1.03 C ATOM 1107 C LYS A 69 -6.996 -8.920 -5.099 1.00 14.10 C ATOM 1108 O LYS A 69 -7.553 -8.070 -4.404 1.00 33.03 O ATOM 1109 CB LYS A 69 -8.258 -11.027 -5.572 1.00 60.32 C ATOM 1110 CG LYS A 69 -7.131 -11.982 -5.217 1.00 12.24 C ATOM 1111 CD LYS A 69 -7.661 -13.265 -4.599 1.00 13.34 C ATOM 1112 CE LYS A 69 -7.986 -13.080 -3.124 1.00 70.31 C ATOM 1113 NZ LYS A 69 -8.329 -14.371 -2.466 1.00 23.40 N ATOM 0 H LYS A 69 -6.737 -10.916 -7.512 1.00 55.21 H new ATOM 0 HA LYS A 69 -8.637 -9.105 -6.457 1.00 1.03 H new ATOM 0 HB2 LYS A 69 -8.849 -10.828 -4.678 1.00 60.32 H new ATOM 0 HB3 LYS A 69 -8.920 -11.510 -6.291 1.00 60.32 H new ATOM 0 HG2 LYS A 69 -6.558 -12.219 -6.113 1.00 12.24 H new ATOM 0 HG3 LYS A 69 -6.448 -11.497 -4.520 1.00 12.24 H new ATOM 0 HD2 LYS A 69 -8.556 -13.585 -5.133 1.00 13.34 H new ATOM 0 HD3 LYS A 69 -6.922 -14.058 -4.713 1.00 13.34 H new ATOM 0 HE2 LYS A 69 -7.132 -12.630 -2.618 1.00 70.31 H new ATOM 0 HE3 LYS A 69 -8.820 -12.386 -3.020 1.00 70.31 H new ATOM 0 HZ1 LYS A 69 -8.544 -14.203 -1.462 1.00 23.40 H new ATOM 0 HZ2 LYS A 69 -9.159 -14.789 -2.933 1.00 23.40 H new ATOM 0 HZ3 LYS A 69 -7.524 -15.024 -2.543 1.00 23.40 H new ATOM 1127 N LYS A 70 -5.706 -9.215 -4.984 1.00 41.40 N ATOM 1128 CA LYS A 70 -4.850 -8.541 -4.014 1.00 72.23 C ATOM 1129 C LYS A 70 -4.828 -7.036 -4.261 1.00 20.11 C ATOM 1130 O LYS A 70 -5.091 -6.245 -3.355 1.00 45.43 O ATOM 1131 CB LYS A 70 -3.428 -9.101 -4.083 1.00 64.12 C ATOM 1132 CG LYS A 70 -2.552 -8.682 -2.915 1.00 21.51 C ATOM 1133 CD LYS A 70 -2.989 -9.351 -1.623 1.00 32.54 C ATOM 1134 CE LYS A 70 -2.651 -10.834 -1.620 1.00 62.44 C ATOM 1135 NZ LYS A 70 -2.613 -11.393 -0.240 1.00 53.34 N ATOM 0 H LYS A 70 -5.230 -9.917 -5.551 1.00 41.40 H new ATOM 0 HA LYS A 70 -5.257 -8.722 -3.019 1.00 72.23 H new ATOM 0 HB2 LYS A 70 -3.476 -10.189 -4.118 1.00 64.12 H new ATOM 0 HB3 LYS A 70 -2.962 -8.773 -5.012 1.00 64.12 H new ATOM 0 HG2 LYS A 70 -1.514 -8.940 -3.126 1.00 21.51 H new ATOM 0 HG3 LYS A 70 -2.594 -7.599 -2.798 1.00 21.51 H new ATOM 0 HD2 LYS A 70 -2.502 -8.864 -0.778 1.00 32.54 H new ATOM 0 HD3 LYS A 70 -4.063 -9.221 -1.490 1.00 32.54 H new ATOM 0 HE2 LYS A 70 -3.390 -11.376 -2.211 1.00 62.44 H new ATOM 0 HE3 LYS A 70 -1.684 -10.987 -2.100 1.00 62.44 H new ATOM 0 HZ1 LYS A 70 -2.379 -12.406 -0.282 1.00 53.34 H new ATOM 0 HZ2 LYS A 70 -1.890 -10.894 0.317 1.00 53.34 H new ATOM 0 HZ3 LYS A 70 -3.543 -11.271 0.210 1.00 53.34 H new ATOM 1149 N VAL A 71 -4.514 -6.647 -5.493 1.00 34.32 N ATOM 1150 CA VAL A 71 -4.461 -5.237 -5.859 1.00 63.10 C ATOM 1151 C VAL A 71 -5.844 -4.600 -5.795 1.00 11.43 C ATOM 1152 O VAL A 71 -5.981 -3.422 -5.462 1.00 33.30 O ATOM 1153 CB VAL A 71 -3.885 -5.046 -7.275 1.00 20.42 C ATOM 1154 CG1 VAL A 71 -2.452 -5.553 -7.342 1.00 34.24 C ATOM 1155 CG2 VAL A 71 -4.757 -5.751 -8.303 1.00 41.34 C ATOM 0 H VAL A 71 -4.293 -7.289 -6.254 1.00 34.32 H new ATOM 0 HA VAL A 71 -3.805 -4.748 -5.139 1.00 63.10 H new ATOM 0 HB VAL A 71 -3.879 -3.981 -7.506 1.00 20.42 H new ATOM 0 HG11 VAL A 71 -2.062 -5.410 -8.350 1.00 34.24 H new ATOM 0 HG12 VAL A 71 -1.837 -4.999 -6.633 1.00 34.24 H new ATOM 0 HG13 VAL A 71 -2.429 -6.614 -7.092 1.00 34.24 H new ATOM 0 HG21 VAL A 71 -4.336 -5.606 -9.298 1.00 41.34 H new ATOM 0 HG22 VAL A 71 -4.796 -6.817 -8.077 1.00 41.34 H new ATOM 0 HG23 VAL A 71 -5.764 -5.336 -8.271 1.00 41.34 H new ATOM 1165 N ARG A 72 -6.867 -5.385 -6.115 1.00 31.32 N ATOM 1166 CA ARG A 72 -8.241 -4.897 -6.094 1.00 62.41 C ATOM 1167 C ARG A 72 -8.627 -4.419 -4.698 1.00 3.44 C ATOM 1168 O ARG A 72 -9.156 -3.320 -4.532 1.00 43.04 O ATOM 1169 CB ARG A 72 -9.202 -5.996 -6.552 1.00 23.33 C ATOM 1170 CG ARG A 72 -9.321 -6.110 -8.063 1.00 33.34 C ATOM 1171 CD ARG A 72 -10.094 -4.940 -8.650 1.00 45.53 C ATOM 1172 NE ARG A 72 -10.828 -5.318 -9.854 1.00 54.34 N ATOM 1173 CZ ARG A 72 -11.513 -4.456 -10.598 1.00 70.25 C ATOM 1174 NH1 ARG A 72 -11.556 -3.174 -10.264 1.00 21.01 N ATOM 1175 NH2 ARG A 72 -12.156 -4.877 -11.680 1.00 52.22 N ATOM 0 H ARG A 72 -6.771 -6.362 -6.392 1.00 31.32 H new ATOM 0 HA ARG A 72 -8.311 -4.053 -6.780 1.00 62.41 H new ATOM 0 HB2 ARG A 72 -8.866 -6.952 -6.149 1.00 23.33 H new ATOM 0 HB3 ARG A 72 -10.189 -5.802 -6.132 1.00 23.33 H new ATOM 0 HG2 ARG A 72 -8.326 -6.149 -8.506 1.00 33.34 H new ATOM 0 HG3 ARG A 72 -9.821 -7.044 -8.320 1.00 33.34 H new ATOM 0 HD2 ARG A 72 -10.792 -4.557 -7.906 1.00 45.53 H new ATOM 0 HD3 ARG A 72 -9.403 -4.131 -8.886 1.00 45.53 H new ATOM 0 HE ARG A 72 -10.814 -6.297 -10.140 1.00 54.34 H new ATOM 0 HH11 ARG A 72 -11.062 -2.846 -9.434 1.00 21.01 H new ATOM 0 HH12 ARG A 72 -12.083 -2.515 -10.837 1.00 21.01 H new ATOM 0 HH21 ARG A 72 -12.125 -5.863 -11.941 1.00 52.22 H new ATOM 0 HH22 ARG A 72 -12.682 -4.215 -12.251 1.00 52.22 H new ATOM 1189 N GLU A 73 -8.358 -5.251 -3.697 1.00 33.43 N ATOM 1190 CA GLU A 73 -8.679 -4.913 -2.315 1.00 50.22 C ATOM 1191 C GLU A 73 -7.733 -3.839 -1.784 1.00 70.44 C ATOM 1192 O GLU A 73 -8.128 -2.985 -0.991 1.00 43.41 O ATOM 1193 CB GLU A 73 -8.602 -6.159 -1.430 1.00 52.33 C ATOM 1194 CG GLU A 73 -7.223 -6.795 -1.393 1.00 3.51 C ATOM 1195 CD GLU A 73 -7.148 -7.971 -0.439 1.00 13.11 C ATOM 1196 OE1 GLU A 73 -8.174 -8.661 -0.266 1.00 15.25 O ATOM 1197 OE2 GLU A 73 -6.063 -8.201 0.134 1.00 23.41 O ATOM 0 H GLU A 73 -7.919 -6.164 -3.817 1.00 33.43 H new ATOM 0 HA GLU A 73 -9.696 -4.522 -2.291 1.00 50.22 H new ATOM 0 HB2 GLU A 73 -8.897 -5.892 -0.415 1.00 52.33 H new ATOM 0 HB3 GLU A 73 -9.322 -6.894 -1.789 1.00 52.33 H new ATOM 0 HG2 GLU A 73 -6.953 -7.128 -2.395 1.00 3.51 H new ATOM 0 HG3 GLU A 73 -6.489 -6.045 -1.098 1.00 3.51 H new ATOM 1204 N LYS A 74 -6.481 -3.891 -2.227 1.00 55.25 N ATOM 1205 CA LYS A 74 -5.477 -2.924 -1.799 1.00 74.03 C ATOM 1206 C LYS A 74 -5.894 -1.505 -2.173 1.00 70.13 C ATOM 1207 O LYS A 74 -5.940 -0.616 -1.323 1.00 23.35 O ATOM 1208 CB LYS A 74 -4.122 -3.252 -2.430 1.00 32.00 C ATOM 1209 CG LYS A 74 -2.944 -3.006 -1.503 1.00 14.10 C ATOM 1210 CD LYS A 74 -2.903 -1.564 -1.024 1.00 74.41 C ATOM 1211 CE LYS A 74 -2.596 -0.607 -2.165 1.00 5.31 C ATOM 1212 NZ LYS A 74 -1.705 0.505 -1.731 1.00 11.13 N ATOM 0 H LYS A 74 -6.138 -4.593 -2.883 1.00 55.25 H new ATOM 0 HA LYS A 74 -5.390 -2.984 -0.714 1.00 74.03 H new ATOM 0 HB2 LYS A 74 -4.118 -4.297 -2.739 1.00 32.00 H new ATOM 0 HB3 LYS A 74 -3.996 -2.652 -3.331 1.00 32.00 H new ATOM 0 HG2 LYS A 74 -3.010 -3.674 -0.644 1.00 14.10 H new ATOM 0 HG3 LYS A 74 -2.016 -3.245 -2.022 1.00 14.10 H new ATOM 0 HD2 LYS A 74 -3.861 -1.301 -0.575 1.00 74.41 H new ATOM 0 HD3 LYS A 74 -2.147 -1.459 -0.246 1.00 74.41 H new ATOM 0 HE2 LYS A 74 -2.123 -1.154 -2.981 1.00 5.31 H new ATOM 0 HE3 LYS A 74 -3.527 -0.196 -2.555 1.00 5.31 H new ATOM 0 HZ1 LYS A 74 -1.966 1.376 -2.236 1.00 11.13 H new ATOM 0 HZ2 LYS A 74 -1.809 0.654 -0.707 1.00 11.13 H new ATOM 0 HZ3 LYS A 74 -0.717 0.262 -1.947 1.00 11.13 H new ATOM 1226 N PHE A 75 -6.198 -1.300 -3.450 1.00 54.14 N ATOM 1227 CA PHE A 75 -6.612 0.011 -3.937 1.00 1.33 C ATOM 1228 C PHE A 75 -8.017 0.354 -3.449 1.00 64.11 C ATOM 1229 O PHE A 75 -8.326 1.515 -3.181 1.00 32.24 O ATOM 1230 CB PHE A 75 -6.567 0.049 -5.466 1.00 12.14 C ATOM 1231 CG PHE A 75 -7.915 -0.108 -6.109 1.00 34.42 C ATOM 1232 CD1 PHE A 75 -8.721 0.995 -6.339 1.00 43.35 C ATOM 1233 CD2 PHE A 75 -8.377 -1.360 -6.483 1.00 50.13 C ATOM 1234 CE1 PHE A 75 -9.962 0.853 -6.930 1.00 61.14 C ATOM 1235 CE2 PHE A 75 -9.617 -1.508 -7.075 1.00 73.41 C ATOM 1236 CZ PHE A 75 -10.410 -0.400 -7.300 1.00 33.22 C ATOM 0 H PHE A 75 -6.166 -2.025 -4.167 1.00 54.14 H new ATOM 0 HA PHE A 75 -5.918 0.753 -3.542 1.00 1.33 H new ATOM 0 HB2 PHE A 75 -6.129 0.995 -5.785 1.00 12.14 H new ATOM 0 HB3 PHE A 75 -5.909 -0.744 -5.822 1.00 12.14 H new ATOM 0 HD1 PHE A 75 -8.375 1.977 -6.053 1.00 43.35 H new ATOM 0 HD2 PHE A 75 -7.761 -2.230 -6.310 1.00 50.13 H new ATOM 0 HE1 PHE A 75 -10.581 1.721 -7.102 1.00 61.14 H new ATOM 0 HE2 PHE A 75 -9.966 -2.489 -7.361 1.00 73.41 H new ATOM 0 HZ PHE A 75 -11.379 -0.513 -7.764 1.00 33.22 H new ATOM 1246 N ASP A 76 -8.862 -0.664 -3.338 1.00 34.42 N ATOM 1247 CA ASP A 76 -10.234 -0.473 -2.882 1.00 54.43 C ATOM 1248 C ASP A 76 -10.263 0.089 -1.464 1.00 43.23 C ATOM 1249 O ASP A 76 -10.953 1.070 -1.189 1.00 74.42 O ATOM 1250 CB ASP A 76 -11.002 -1.795 -2.936 1.00 4.42 C ATOM 1251 CG ASP A 76 -12.357 -1.705 -2.262 1.00 24.33 C ATOM 1252 OD1 ASP A 76 -13.217 -0.948 -2.757 1.00 44.14 O ATOM 1253 OD2 ASP A 76 -12.557 -2.392 -1.238 1.00 22.22 O ATOM 0 H ASP A 76 -8.621 -1.631 -3.558 1.00 34.42 H new ATOM 0 HA ASP A 76 -10.714 0.244 -3.547 1.00 54.43 H new ATOM 0 HB2 ASP A 76 -11.136 -2.092 -3.976 1.00 4.42 H new ATOM 0 HB3 ASP A 76 -10.411 -2.575 -2.455 1.00 4.42 H new ATOM 1258 N GLU A 77 -9.508 -0.540 -0.569 1.00 11.13 N ATOM 1259 CA GLU A 77 -9.449 -0.103 0.821 1.00 31.13 C ATOM 1260 C GLU A 77 -8.722 1.233 0.941 1.00 14.41 C ATOM 1261 O GLU A 77 -9.211 2.162 1.584 1.00 63.21 O ATOM 1262 CB GLU A 77 -8.747 -1.157 1.681 1.00 52.42 C ATOM 1263 CG GLU A 77 -9.581 -2.405 1.914 1.00 24.42 C ATOM 1264 CD GLU A 77 -8.776 -3.539 2.521 1.00 52.40 C ATOM 1265 OE1 GLU A 77 -7.573 -3.647 2.207 1.00 63.34 O ATOM 1266 OE2 GLU A 77 -9.351 -4.317 3.311 1.00 50.31 O ATOM 0 H GLU A 77 -8.929 -1.353 -0.781 1.00 11.13 H new ATOM 0 HA GLU A 77 -10.471 0.026 1.178 1.00 31.13 H new ATOM 0 HB2 GLU A 77 -7.810 -1.440 1.201 1.00 52.42 H new ATOM 0 HB3 GLU A 77 -8.491 -0.716 2.644 1.00 52.42 H new ATOM 0 HG2 GLU A 77 -10.415 -2.163 2.573 1.00 24.42 H new ATOM 0 HG3 GLU A 77 -10.009 -2.734 0.967 1.00 24.42 H new ATOM 1273 N ASN A 78 -7.552 1.322 0.317 1.00 30.15 N ATOM 1274 CA ASN A 78 -6.757 2.544 0.355 1.00 64.23 C ATOM 1275 C ASN A 78 -7.594 3.751 -0.056 1.00 72.14 C ATOM 1276 O ASN A 78 -7.454 4.837 0.505 1.00 1.14 O ATOM 1277 CB ASN A 78 -5.542 2.414 -0.566 1.00 43.42 C ATOM 1278 CG ASN A 78 -4.302 1.951 0.174 1.00 61.21 C ATOM 1279 OD1 ASN A 78 -4.331 0.950 0.890 1.00 30.12 O ATOM 1280 ND2 ASN A 78 -3.205 2.679 0.004 1.00 64.01 N ATOM 0 H ASN A 78 -7.134 0.563 -0.221 1.00 30.15 H new ATOM 0 HA ASN A 78 -6.415 2.694 1.379 1.00 64.23 H new ATOM 0 HB2 ASN A 78 -5.769 1.709 -1.365 1.00 43.42 H new ATOM 0 HB3 ASN A 78 -5.342 3.376 -1.037 1.00 43.42 H new ATOM 0 HD21 ASN A 78 -2.340 2.416 0.476 1.00 64.01 H new ATOM 0 HD22 ASN A 78 -3.227 3.501 -0.599 1.00 64.01 H new ATOM 1287 N SER A 79 -8.466 3.552 -1.040 1.00 42.11 N ATOM 1288 CA SER A 79 -9.324 4.625 -1.529 1.00 72.31 C ATOM 1289 C SER A 79 -10.460 4.901 -0.549 1.00 1.44 C ATOM 1290 O SER A 79 -10.775 6.055 -0.256 1.00 4.02 O ATOM 1291 CB SER A 79 -9.897 4.263 -2.901 1.00 45.11 C ATOM 1292 OG SER A 79 -9.114 4.821 -3.943 1.00 35.21 O ATOM 0 H SER A 79 -8.597 2.658 -1.514 1.00 42.11 H new ATOM 0 HA SER A 79 -8.719 5.527 -1.622 1.00 72.31 H new ATOM 0 HB2 SER A 79 -9.933 3.179 -3.009 1.00 45.11 H new ATOM 0 HB3 SER A 79 -10.922 4.625 -2.978 1.00 45.11 H new ATOM 0 HG SER A 79 -9.703 5.203 -4.626 1.00 35.21 H new ATOM 1298 N ARG A 80 -11.071 3.834 -0.045 1.00 13.33 N ATOM 1299 CA ARG A 80 -12.173 3.961 0.902 1.00 61.11 C ATOM 1300 C ARG A 80 -11.670 4.439 2.261 1.00 63.41 C ATOM 1301 O ARG A 80 -12.460 4.761 3.148 1.00 64.12 O ATOM 1302 CB ARG A 80 -12.897 2.622 1.056 1.00 12.30 C ATOM 1303 CG ARG A 80 -12.346 1.757 2.178 1.00 53.31 C ATOM 1304 CD ARG A 80 -13.121 1.962 3.471 1.00 63.35 C ATOM 1305 NE ARG A 80 -13.352 0.703 4.175 1.00 40.42 N ATOM 1306 CZ ARG A 80 -14.269 -0.185 3.810 1.00 60.55 C ATOM 1307 NH1 ARG A 80 -15.036 0.045 2.753 1.00 72.40 N ATOM 1308 NH2 ARG A 80 -14.420 -1.308 4.501 1.00 5.33 N ATOM 0 H ARG A 80 -10.822 2.872 -0.276 1.00 13.33 H new ATOM 0 HA ARG A 80 -12.871 4.701 0.512 1.00 61.11 H new ATOM 0 HB2 ARG A 80 -13.955 2.810 1.239 1.00 12.30 H new ATOM 0 HB3 ARG A 80 -12.829 2.072 0.118 1.00 12.30 H new ATOM 0 HG2 ARG A 80 -12.393 0.708 1.887 1.00 53.31 H new ATOM 0 HG3 ARG A 80 -11.295 1.996 2.341 1.00 53.31 H new ATOM 0 HD2 ARG A 80 -12.571 2.644 4.119 1.00 63.35 H new ATOM 0 HD3 ARG A 80 -14.078 2.434 3.249 1.00 63.35 H new ATOM 0 HE ARG A 80 -12.777 0.495 4.992 1.00 40.42 H new ATOM 0 HH11 ARG A 80 -14.922 0.906 2.218 1.00 72.40 H new ATOM 0 HH12 ARG A 80 -15.740 -0.639 2.475 1.00 72.40 H new ATOM 0 HH21 ARG A 80 -13.831 -1.490 5.314 1.00 5.33 H new ATOM 0 HH22 ARG A 80 -15.125 -1.989 4.219 1.00 5.33 H new ATOM 1322 N MET A 81 -10.350 4.481 2.416 1.00 35.33 N ATOM 1323 CA MET A 81 -9.742 4.920 3.667 1.00 73.40 C ATOM 1324 C MET A 81 -10.484 6.124 4.239 1.00 63.03 C ATOM 1325 O MET A 81 -11.059 6.919 3.496 1.00 4.20 O ATOM 1326 CB MET A 81 -8.269 5.270 3.447 1.00 34.13 C ATOM 1327 CG MET A 81 -7.343 4.067 3.511 1.00 24.21 C ATOM 1328 SD MET A 81 -7.246 3.351 5.163 1.00 13.02 S ATOM 1329 CE MET A 81 -7.695 1.651 4.822 1.00 22.23 C ATOM 0 H MET A 81 -9.682 4.217 1.692 1.00 35.33 H new ATOM 0 HA MET A 81 -9.810 4.101 4.383 1.00 73.40 H new ATOM 0 HB2 MET A 81 -8.160 5.751 2.475 1.00 34.13 H new ATOM 0 HB3 MET A 81 -7.960 5.996 4.199 1.00 34.13 H new ATOM 0 HG2 MET A 81 -7.691 3.308 2.810 1.00 24.21 H new ATOM 0 HG3 MET A 81 -6.345 4.364 3.189 1.00 24.21 H new ATOM 0 HE1 MET A 81 -7.680 1.078 5.749 1.00 22.23 H new ATOM 0 HE2 MET A 81 -8.696 1.618 4.391 1.00 22.23 H new ATOM 0 HE3 MET A 81 -6.983 1.221 4.118 1.00 22.23 H new ATOM 1339 N GLN A 82 -10.466 6.251 5.562 1.00 61.24 N ATOM 1340 CA GLN A 82 -11.138 7.358 6.231 1.00 2.04 C ATOM 1341 C GLN A 82 -10.665 8.698 5.677 1.00 65.41 C ATOM 1342 O GLN A 82 -9.644 8.772 4.993 1.00 64.34 O ATOM 1343 CB GLN A 82 -10.885 7.299 7.739 1.00 71.31 C ATOM 1344 CG GLN A 82 -11.685 6.217 8.448 1.00 44.43 C ATOM 1345 CD GLN A 82 -11.469 6.221 9.948 1.00 13.53 C ATOM 1346 OE1 GLN A 82 -11.008 7.211 10.518 1.00 32.23 O ATOM 1347 NE2 GLN A 82 -11.803 5.112 10.598 1.00 52.34 N ATOM 0 H GLN A 82 -9.994 5.602 6.191 1.00 61.24 H new ATOM 0 HA GLN A 82 -12.208 7.266 6.044 1.00 2.04 H new ATOM 0 HB2 GLN A 82 -9.823 7.128 7.914 1.00 71.31 H new ATOM 0 HB3 GLN A 82 -11.129 8.266 8.178 1.00 71.31 H new ATOM 0 HG2 GLN A 82 -12.745 6.357 8.237 1.00 44.43 H new ATOM 0 HG3 GLN A 82 -11.406 5.243 8.047 1.00 44.43 H new ATOM 0 HE21 GLN A 82 -12.182 4.315 10.086 1.00 52.34 H new ATOM 0 HE22 GLN A 82 -11.681 5.057 11.609 1.00 52.34 H new ATOM 1356 N TYR A 83 -11.413 9.754 5.976 1.00 22.50 N ATOM 1357 CA TYR A 83 -11.071 11.090 5.505 1.00 52.51 C ATOM 1358 C TYR A 83 -9.756 11.564 6.117 1.00 52.25 C ATOM 1359 O TYR A 83 -8.974 12.262 5.471 1.00 71.21 O ATOM 1360 CB TYR A 83 -12.190 12.076 5.847 1.00 21.12 C ATOM 1361 CG TYR A 83 -12.611 12.942 4.682 1.00 40.51 C ATOM 1362 CD1 TYR A 83 -11.669 13.472 3.809 1.00 43.13 C ATOM 1363 CD2 TYR A 83 -13.951 13.233 4.455 1.00 65.45 C ATOM 1364 CE1 TYR A 83 -12.048 14.265 2.743 1.00 35.00 C ATOM 1365 CE2 TYR A 83 -14.340 14.023 3.391 1.00 45.24 C ATOM 1366 CZ TYR A 83 -13.385 14.537 2.538 1.00 40.21 C ATOM 1367 OH TYR A 83 -13.768 15.326 1.478 1.00 54.41 O ATOM 0 H TYR A 83 -12.260 9.710 6.542 1.00 22.50 H new ATOM 0 HA TYR A 83 -10.952 11.046 4.422 1.00 52.51 H new ATOM 0 HB2 TYR A 83 -13.056 11.520 6.207 1.00 21.12 H new ATOM 0 HB3 TYR A 83 -11.861 12.717 6.665 1.00 21.12 H new ATOM 0 HD1 TYR A 83 -10.622 13.260 3.967 1.00 43.13 H new ATOM 0 HD2 TYR A 83 -14.701 12.834 5.122 1.00 65.45 H new ATOM 0 HE1 TYR A 83 -11.302 14.669 2.074 1.00 35.00 H new ATOM 0 HE2 TYR A 83 -15.386 14.237 3.228 1.00 45.24 H new ATOM 0 HH TYR A 83 -13.034 15.385 0.832 1.00 54.41 H new ATOM 1377 N SER A 84 -9.520 11.179 7.366 1.00 22.15 N ATOM 1378 CA SER A 84 -8.302 11.566 8.068 1.00 25.22 C ATOM 1379 C SER A 84 -7.065 11.065 7.327 1.00 55.50 C ATOM 1380 O SER A 84 -6.151 11.835 7.033 1.00 15.24 O ATOM 1381 CB SER A 84 -8.313 11.014 9.495 1.00 4.21 C ATOM 1382 OG SER A 84 -7.016 10.602 9.893 1.00 73.04 O ATOM 0 H SER A 84 -10.156 10.599 7.913 1.00 22.15 H new ATOM 0 HA SER A 84 -8.265 12.655 8.107 1.00 25.22 H new ATOM 0 HB2 SER A 84 -8.682 11.777 10.181 1.00 4.21 H new ATOM 0 HB3 SER A 84 -9.001 10.171 9.557 1.00 4.21 H new ATOM 0 HG SER A 84 -7.050 10.255 10.809 1.00 73.04 H new ATOM 1388 N GLU A 85 -7.046 9.770 7.028 1.00 52.30 N ATOM 1389 CA GLU A 85 -5.922 9.167 6.322 1.00 73.42 C ATOM 1390 C GLU A 85 -5.826 9.700 4.895 1.00 32.03 C ATOM 1391 O GLU A 85 -4.732 9.921 4.376 1.00 44.54 O ATOM 1392 CB GLU A 85 -6.064 7.643 6.300 1.00 41.20 C ATOM 1393 CG GLU A 85 -4.734 6.908 6.300 1.00 11.21 C ATOM 1394 CD GLU A 85 -4.234 6.607 7.700 1.00 41.53 C ATOM 1395 OE1 GLU A 85 -4.583 7.363 8.630 1.00 12.13 O ATOM 1396 OE2 GLU A 85 -3.493 5.616 7.864 1.00 60.52 O ATOM 0 H GLU A 85 -7.795 9.119 7.263 1.00 52.30 H new ATOM 0 HA GLU A 85 -5.008 9.433 6.853 1.00 73.42 H new ATOM 0 HB2 GLU A 85 -6.644 7.328 7.168 1.00 41.20 H new ATOM 0 HB3 GLU A 85 -6.630 7.352 5.415 1.00 41.20 H new ATOM 0 HG2 GLU A 85 -4.839 5.974 5.747 1.00 11.21 H new ATOM 0 HG3 GLU A 85 -3.991 7.508 5.774 1.00 11.21 H new ATOM 1403 N LEU A 86 -6.979 9.904 4.267 1.00 20.54 N ATOM 1404 CA LEU A 86 -7.026 10.410 2.900 1.00 14.53 C ATOM 1405 C LEU A 86 -6.352 11.775 2.802 1.00 52.21 C ATOM 1406 O LEU A 86 -5.582 12.032 1.878 1.00 44.34 O ATOM 1407 CB LEU A 86 -8.476 10.509 2.422 1.00 11.41 C ATOM 1408 CG LEU A 86 -8.741 10.057 0.986 1.00 55.02 C ATOM 1409 CD1 LEU A 86 -8.000 10.947 0.000 1.00 23.43 C ATOM 1410 CD2 LEU A 86 -8.337 8.601 0.802 1.00 54.41 C ATOM 0 H LEU A 86 -7.893 9.727 4.683 1.00 20.54 H new ATOM 0 HA LEU A 86 -6.486 9.712 2.261 1.00 14.53 H new ATOM 0 HB2 LEU A 86 -9.099 9.914 3.090 1.00 11.41 H new ATOM 0 HB3 LEU A 86 -8.800 11.545 2.521 1.00 11.41 H new ATOM 0 HG LEU A 86 -9.810 10.144 0.789 1.00 55.02 H new ATOM 0 HD11 LEU A 86 -8.201 10.610 -1.017 1.00 23.43 H new ATOM 0 HD12 LEU A 86 -8.338 11.977 0.114 1.00 23.43 H new ATOM 0 HD13 LEU A 86 -6.929 10.893 0.195 1.00 23.43 H new ATOM 0 HD21 LEU A 86 -8.533 8.296 -0.226 1.00 54.41 H new ATOM 0 HD22 LEU A 86 -7.275 8.488 1.018 1.00 54.41 H new ATOM 0 HD23 LEU A 86 -8.914 7.975 1.482 1.00 54.41 H new ATOM 1422 N MET A 87 -6.647 12.645 3.762 1.00 5.42 N ATOM 1423 CA MET A 87 -6.066 13.983 3.785 1.00 22.12 C ATOM 1424 C MET A 87 -4.688 13.966 4.439 1.00 3.01 C ATOM 1425 O MET A 87 -3.824 14.781 4.113 1.00 62.12 O ATOM 1426 CB MET A 87 -6.986 14.949 4.533 1.00 13.13 C ATOM 1427 CG MET A 87 -7.625 15.997 3.637 1.00 51.14 C ATOM 1428 SD MET A 87 -8.590 15.271 2.298 1.00 61.23 S ATOM 1429 CE MET A 87 -7.586 15.709 0.881 1.00 51.35 C ATOM 0 H MET A 87 -7.284 12.448 4.534 1.00 5.42 H new ATOM 0 HA MET A 87 -5.956 14.322 2.755 1.00 22.12 H new ATOM 0 HB2 MET A 87 -7.772 14.379 5.029 1.00 13.13 H new ATOM 0 HB3 MET A 87 -6.415 15.450 5.314 1.00 13.13 H new ATOM 0 HG2 MET A 87 -8.270 16.639 4.238 1.00 51.14 H new ATOM 0 HG3 MET A 87 -6.846 16.633 3.215 1.00 51.14 H new ATOM 0 HE1 MET A 87 -7.646 14.917 0.134 1.00 51.35 H new ATOM 0 HE2 MET A 87 -7.951 16.642 0.451 1.00 51.35 H new ATOM 0 HE3 MET A 87 -6.550 15.835 1.194 1.00 51.35 H new ATOM 1439 N THR A 88 -4.488 13.033 5.365 1.00 61.34 N ATOM 1440 CA THR A 88 -3.216 12.911 6.065 1.00 23.01 C ATOM 1441 C THR A 88 -2.112 12.443 5.123 1.00 11.14 C ATOM 1442 O THR A 88 -1.029 13.027 5.080 1.00 11.23 O ATOM 1443 CB THR A 88 -3.317 11.929 7.247 1.00 31.51 C ATOM 1444 OG1 THR A 88 -3.775 12.615 8.417 1.00 0.42 O ATOM 1445 CG2 THR A 88 -1.970 11.280 7.528 1.00 33.44 C ATOM 0 H THR A 88 -5.192 12.351 5.647 1.00 61.34 H new ATOM 0 HA THR A 88 -2.969 13.902 6.446 1.00 23.01 H new ATOM 0 HB THR A 88 -4.030 11.149 6.982 1.00 31.51 H new ATOM 0 HG1 THR A 88 -4.755 12.632 8.424 1.00 0.42 H new ATOM 0 HG21 THR A 88 -2.066 10.591 8.367 1.00 33.44 H new ATOM 0 HG22 THR A 88 -1.638 10.733 6.645 1.00 33.44 H new ATOM 0 HG23 THR A 88 -1.239 12.050 7.774 1.00 33.44 H new ATOM 1453 N LYS A 89 -2.393 11.386 4.369 1.00 52.10 N ATOM 1454 CA LYS A 89 -1.425 10.840 3.425 1.00 32.23 C ATOM 1455 C LYS A 89 -1.173 11.814 2.279 1.00 1.43 C ATOM 1456 O LYS A 89 -0.237 11.640 1.498 1.00 12.32 O ATOM 1457 CB LYS A 89 -1.921 9.502 2.871 1.00 0.14 C ATOM 1458 CG LYS A 89 -0.893 8.388 2.962 1.00 62.31 C ATOM 1459 CD LYS A 89 -0.772 7.855 4.380 1.00 63.44 C ATOM 1460 CE LYS A 89 0.336 8.560 5.148 1.00 72.44 C ATOM 1461 NZ LYS A 89 1.211 7.595 5.869 1.00 20.15 N ATOM 0 H LYS A 89 -3.284 10.890 4.393 1.00 52.10 H new ATOM 0 HA LYS A 89 -0.487 10.681 3.957 1.00 32.23 H new ATOM 0 HB2 LYS A 89 -2.817 9.203 3.414 1.00 0.14 H new ATOM 0 HB3 LYS A 89 -2.210 9.635 1.828 1.00 0.14 H new ATOM 0 HG2 LYS A 89 -1.174 7.577 2.290 1.00 62.31 H new ATOM 0 HG3 LYS A 89 0.076 8.758 2.627 1.00 62.31 H new ATOM 0 HD2 LYS A 89 -1.720 7.988 4.902 1.00 63.44 H new ATOM 0 HD3 LYS A 89 -0.572 6.784 4.351 1.00 63.44 H new ATOM 0 HE2 LYS A 89 0.938 9.150 4.457 1.00 72.44 H new ATOM 0 HE3 LYS A 89 -0.103 9.256 5.863 1.00 72.44 H new ATOM 0 HZ1 LYS A 89 1.953 8.114 6.380 1.00 20.15 H new ATOM 0 HZ2 LYS A 89 0.641 7.049 6.547 1.00 20.15 H new ATOM 0 HZ3 LYS A 89 1.650 6.947 5.185 1.00 20.15 H new ATOM 1475 N TYR A 90 -2.012 12.840 2.186 1.00 62.04 N ATOM 1476 CA TYR A 90 -1.880 13.842 1.134 1.00 22.34 C ATOM 1477 C TYR A 90 -1.152 15.080 1.650 1.00 60.43 C ATOM 1478 O TYR A 90 -0.273 15.622 0.979 1.00 72.13 O ATOM 1479 CB TYR A 90 -3.258 14.233 0.598 1.00 2.10 C ATOM 1480 CG TYR A 90 -3.256 15.522 -0.193 1.00 32.13 C ATOM 1481 CD1 TYR A 90 -2.802 15.554 -1.505 1.00 43.31 C ATOM 1482 CD2 TYR A 90 -3.710 16.707 0.373 1.00 53.22 C ATOM 1483 CE1 TYR A 90 -2.798 16.730 -2.231 1.00 23.22 C ATOM 1484 CE2 TYR A 90 -3.711 17.887 -0.346 1.00 13.01 C ATOM 1485 CZ TYR A 90 -3.254 17.893 -1.647 1.00 43.30 C ATOM 1486 OH TYR A 90 -3.253 19.066 -2.367 1.00 63.10 O ATOM 0 H TYR A 90 -2.790 13.000 2.826 1.00 62.04 H new ATOM 0 HA TYR A 90 -1.293 13.408 0.325 1.00 22.34 H new ATOM 0 HB2 TYR A 90 -3.634 13.429 -0.034 1.00 2.10 H new ATOM 0 HB3 TYR A 90 -3.950 14.331 1.435 1.00 2.10 H new ATOM 0 HD1 TYR A 90 -2.446 14.644 -1.966 1.00 43.31 H new ATOM 0 HD2 TYR A 90 -4.068 16.706 1.392 1.00 53.22 H new ATOM 0 HE1 TYR A 90 -2.440 16.738 -3.250 1.00 23.22 H new ATOM 0 HE2 TYR A 90 -4.068 18.799 0.108 1.00 13.01 H new ATOM 0 HH TYR A 90 -3.606 19.791 -1.811 1.00 63.10 H new ATOM 1496 N HIS A 91 -1.524 15.521 2.847 1.00 0.21 N ATOM 1497 CA HIS A 91 -0.906 16.695 3.455 1.00 75.41 C ATOM 1498 C HIS A 91 0.268 16.292 4.341 1.00 4.43 C ATOM 1499 O HIS A 91 1.403 16.711 4.112 1.00 63.22 O ATOM 1500 CB HIS A 91 -1.936 17.472 4.275 1.00 75.10 C ATOM 1501 CG HIS A 91 -2.053 18.912 3.880 1.00 1.04 C ATOM 1502 ND1 HIS A 91 -3.218 19.467 3.395 1.00 43.55 N ATOM 1503 CD2 HIS A 91 -1.142 19.913 3.904 1.00 62.23 C ATOM 1504 CE1 HIS A 91 -3.018 20.747 3.134 1.00 5.13 C ATOM 1505 NE2 HIS A 91 -1.766 21.043 3.435 1.00 21.32 N ATOM 0 H HIS A 91 -2.250 15.084 3.415 1.00 0.21 H new ATOM 0 HA HIS A 91 -0.532 17.335 2.655 1.00 75.41 H new ATOM 0 HB2 HIS A 91 -2.910 16.994 4.167 1.00 75.10 H new ATOM 0 HB3 HIS A 91 -1.667 17.414 5.330 1.00 75.10 H new ATOM 0 HD2 HIS A 91 -0.116 19.837 4.231 1.00 62.23 H new ATOM 0 HE1 HIS A 91 -3.753 21.434 2.741 1.00 5.13 H new ATOM 0 HE2 HIS A 91 -1.333 21.961 3.335 1.00 21.32 H new ATOM 1513 N ASP A 92 -0.012 15.480 5.354 1.00 61.31 N ATOM 1514 CA ASP A 92 1.022 15.021 6.275 1.00 74.12 C ATOM 1515 C ASP A 92 2.173 14.366 5.517 1.00 14.23 C ATOM 1516 O ASP A 92 3.311 14.352 5.987 1.00 1.34 O ATOM 1517 CB ASP A 92 0.433 14.035 7.285 1.00 23.31 C ATOM 1518 CG ASP A 92 0.694 14.450 8.719 1.00 4.44 C ATOM 1519 OD1 ASP A 92 1.873 14.668 9.068 1.00 4.03 O ATOM 1520 OD2 ASP A 92 -0.280 14.557 9.493 1.00 11.34 O ATOM 0 H ASP A 92 -0.946 15.126 5.559 1.00 61.31 H new ATOM 0 HA ASP A 92 1.410 15.888 6.809 1.00 74.12 H new ATOM 0 HB2 ASP A 92 -0.642 13.953 7.124 1.00 23.31 H new ATOM 0 HB3 ASP A 92 0.858 13.046 7.113 1.00 23.31 H new ATOM 1525 N LEU A 93 1.869 13.824 4.343 1.00 33.14 N ATOM 1526 CA LEU A 93 2.878 13.166 3.520 1.00 13.03 C ATOM 1527 C LEU A 93 3.427 14.121 2.465 1.00 31.12 C ATOM 1528 O LEU A 93 4.511 13.907 1.923 1.00 43.23 O ATOM 1529 CB LEU A 93 2.285 11.928 2.845 1.00 24.21 C ATOM 1530 CG LEU A 93 3.023 10.611 3.092 1.00 12.21 C ATOM 1531 CD1 LEU A 93 2.489 9.521 2.176 1.00 23.33 C ATOM 1532 CD2 LEU A 93 4.520 10.793 2.892 1.00 63.00 C ATOM 0 H LEU A 93 0.932 13.827 3.940 1.00 33.14 H new ATOM 0 HA LEU A 93 3.699 12.860 4.169 1.00 13.03 H new ATOM 0 HB2 LEU A 93 1.255 11.813 3.182 1.00 24.21 H new ATOM 0 HB3 LEU A 93 2.250 12.106 1.770 1.00 24.21 H new ATOM 0 HG LEU A 93 2.850 10.307 4.124 1.00 12.21 H new ATOM 0 HD11 LEU A 93 3.026 8.591 2.366 1.00 23.33 H new ATOM 0 HD12 LEU A 93 1.426 9.372 2.368 1.00 23.33 H new ATOM 0 HD13 LEU A 93 2.632 9.817 1.137 1.00 23.33 H new ATOM 0 HD21 LEU A 93 5.029 9.846 3.072 1.00 63.00 H new ATOM 0 HD22 LEU A 93 4.713 11.121 1.871 1.00 63.00 H new ATOM 0 HD23 LEU A 93 4.892 11.543 3.590 1.00 63.00 H new ATOM 1544 N LYS A 94 2.672 15.177 2.180 1.00 22.40 N ATOM 1545 CA LYS A 94 3.084 16.168 1.193 1.00 74.43 C ATOM 1546 C LYS A 94 4.473 16.710 1.512 1.00 31.05 C ATOM 1547 O LYS A 94 5.210 17.126 0.618 1.00 73.21 O ATOM 1548 CB LYS A 94 2.075 17.317 1.143 1.00 53.23 C ATOM 1549 CG LYS A 94 2.688 18.677 1.427 1.00 41.55 C ATOM 1550 CD LYS A 94 2.218 19.234 2.760 1.00 24.43 C ATOM 1551 CE LYS A 94 3.270 19.048 3.843 1.00 22.42 C ATOM 1552 NZ LYS A 94 2.994 19.895 5.036 1.00 42.30 N ATOM 0 H LYS A 94 1.771 15.368 2.619 1.00 22.40 H new ATOM 0 HA LYS A 94 3.119 15.681 0.219 1.00 74.43 H new ATOM 0 HB2 LYS A 94 1.608 17.337 0.158 1.00 53.23 H new ATOM 0 HB3 LYS A 94 1.283 17.126 1.868 1.00 53.23 H new ATOM 0 HG2 LYS A 94 3.775 18.594 1.430 1.00 41.55 H new ATOM 0 HG3 LYS A 94 2.423 19.370 0.629 1.00 41.55 H new ATOM 0 HD2 LYS A 94 1.989 20.294 2.652 1.00 24.43 H new ATOM 0 HD3 LYS A 94 1.295 18.737 3.058 1.00 24.43 H new ATOM 0 HE2 LYS A 94 3.303 18.000 4.141 1.00 22.42 H new ATOM 0 HE3 LYS A 94 4.252 19.296 3.441 1.00 22.42 H new ATOM 0 HZ1 LYS A 94 3.733 19.739 5.751 1.00 42.30 H new ATOM 0 HZ2 LYS A 94 2.988 20.897 4.757 1.00 42.30 H new ATOM 0 HZ3 LYS A 94 2.068 19.641 5.435 1.00 42.30 H new ATOM 1566 N LYS A 95 4.826 16.702 2.793 1.00 31.24 N ATOM 1567 CA LYS A 95 6.128 17.190 3.232 1.00 51.10 C ATOM 1568 C LYS A 95 7.213 16.149 2.977 1.00 3.15 C ATOM 1569 O LYS A 95 8.266 16.461 2.422 1.00 3.22 O ATOM 1570 CB LYS A 95 6.087 17.547 4.720 1.00 61.43 C ATOM 1571 CG LYS A 95 6.707 18.896 5.039 1.00 61.01 C ATOM 1572 CD LYS A 95 8.180 18.935 4.668 1.00 61.33 C ATOM 1573 CE LYS A 95 8.474 20.041 3.666 1.00 14.55 C ATOM 1574 NZ LYS A 95 9.868 20.549 3.794 1.00 52.03 N ATOM 0 H LYS A 95 4.228 16.362 3.546 1.00 31.24 H new ATOM 0 HA LYS A 95 6.366 18.085 2.657 1.00 51.10 H new ATOM 0 HB2 LYS A 95 5.051 17.544 5.057 1.00 61.43 H new ATOM 0 HB3 LYS A 95 6.608 16.774 5.285 1.00 61.43 H new ATOM 0 HG2 LYS A 95 6.174 19.679 4.499 1.00 61.01 H new ATOM 0 HG3 LYS A 95 6.593 19.107 6.102 1.00 61.01 H new ATOM 0 HD2 LYS A 95 8.778 19.088 5.566 1.00 61.33 H new ATOM 0 HD3 LYS A 95 8.476 17.974 4.248 1.00 61.33 H new ATOM 0 HE2 LYS A 95 8.315 19.666 2.655 1.00 14.55 H new ATOM 0 HE3 LYS A 95 7.773 20.862 3.815 1.00 14.55 H new ATOM 0 HZ1 LYS A 95 10.029 21.301 3.094 1.00 52.03 H new ATOM 0 HZ2 LYS A 95 10.012 20.930 4.751 1.00 52.03 H new ATOM 0 HZ3 LYS A 95 10.538 19.771 3.626 1.00 52.03 H new ATOM 1588 N GLN A 96 6.948 14.912 3.386 1.00 42.32 N ATOM 1589 CA GLN A 96 7.903 13.826 3.201 1.00 41.15 C ATOM 1590 C GLN A 96 8.131 13.548 1.718 1.00 11.43 C ATOM 1591 O GLN A 96 9.181 13.042 1.326 1.00 42.35 O ATOM 1592 CB GLN A 96 7.408 12.559 3.899 1.00 74.52 C ATOM 1593 CG GLN A 96 7.654 12.554 5.399 1.00 45.13 C ATOM 1594 CD GLN A 96 7.982 11.173 5.932 1.00 12.32 C ATOM 1595 OE1 GLN A 96 7.152 10.265 5.886 1.00 30.35 O ATOM 1596 NE2 GLN A 96 9.197 11.008 6.442 1.00 14.12 N ATOM 0 H GLN A 96 6.081 14.637 3.847 1.00 42.32 H new ATOM 0 HA GLN A 96 8.851 14.130 3.645 1.00 41.15 H new ATOM 0 HB2 GLN A 96 6.340 12.446 3.714 1.00 74.52 H new ATOM 0 HB3 GLN A 96 7.901 11.694 3.456 1.00 74.52 H new ATOM 0 HG2 GLN A 96 8.474 13.233 5.631 1.00 45.13 H new ATOM 0 HG3 GLN A 96 6.770 12.936 5.910 1.00 45.13 H new ATOM 0 HE21 GLN A 96 9.853 11.789 6.460 1.00 14.12 H new ATOM 0 HE22 GLN A 96 9.474 10.100 6.816 1.00 14.12 H new ATOM 1605 N GLY A 97 7.139 13.883 0.899 1.00 15.00 N ATOM 1606 CA GLY A 97 7.250 13.662 -0.531 1.00 24.41 C ATOM 1607 C GLY A 97 6.842 14.877 -1.339 1.00 43.04 C ATOM 1608 O GLY A 97 7.015 16.013 -0.897 1.00 51.14 O ATOM 0 H GLY A 97 6.260 14.304 1.200 1.00 15.00 H new ATOM 0 HA2 GLY A 97 8.278 13.396 -0.776 1.00 24.41 H new ATOM 0 HA3 GLY A 97 6.625 12.815 -0.814 1.00 24.41 H new ATOM 1612 N LYS A 98 6.301 14.640 -2.529 1.00 74.52 N ATOM 1613 CA LYS A 98 5.867 15.723 -3.403 1.00 52.10 C ATOM 1614 C LYS A 98 4.702 15.280 -4.282 1.00 72.12 C ATOM 1615 O LYS A 98 4.514 14.087 -4.525 1.00 43.31 O ATOM 1616 CB LYS A 98 7.029 16.196 -4.279 1.00 3.23 C ATOM 1617 CG LYS A 98 7.644 15.092 -5.121 1.00 44.44 C ATOM 1618 CD LYS A 98 6.984 14.999 -6.487 1.00 11.33 C ATOM 1619 CE LYS A 98 7.776 14.106 -7.429 1.00 50.23 C ATOM 1620 NZ LYS A 98 8.866 14.853 -8.117 1.00 14.25 N ATOM 0 H LYS A 98 6.152 13.706 -2.911 1.00 74.52 H new ATOM 0 HA LYS A 98 5.532 16.550 -2.776 1.00 52.10 H new ATOM 0 HB2 LYS A 98 6.677 16.990 -4.937 1.00 3.23 H new ATOM 0 HB3 LYS A 98 7.801 16.628 -3.642 1.00 3.23 H new ATOM 0 HG2 LYS A 98 8.711 15.278 -5.243 1.00 44.44 H new ATOM 0 HG3 LYS A 98 7.544 14.139 -4.602 1.00 44.44 H new ATOM 0 HD2 LYS A 98 5.973 14.608 -6.378 1.00 11.33 H new ATOM 0 HD3 LYS A 98 6.895 15.996 -6.918 1.00 11.33 H new ATOM 0 HE2 LYS A 98 8.203 13.275 -6.868 1.00 50.23 H new ATOM 0 HE3 LYS A 98 7.105 13.677 -8.173 1.00 50.23 H new ATOM 0 HZ1 LYS A 98 9.382 14.209 -8.750 1.00 14.25 H new ATOM 0 HZ2 LYS A 98 8.457 15.631 -8.673 1.00 14.25 H new ATOM 0 HZ3 LYS A 98 9.521 15.241 -7.409 1.00 14.25 H new ATOM 1634 N ILE A 99 3.924 16.247 -4.757 1.00 73.51 N ATOM 1635 CA ILE A 99 2.779 15.955 -5.611 1.00 62.04 C ATOM 1636 C ILE A 99 2.610 17.023 -6.687 1.00 35.14 C ATOM 1637 O ILE A 99 2.842 18.207 -6.443 1.00 54.33 O ATOM 1638 CB ILE A 99 1.478 15.854 -4.794 1.00 52.00 C ATOM 1639 CG1 ILE A 99 0.281 15.642 -5.724 1.00 22.44 C ATOM 1640 CG2 ILE A 99 1.284 17.105 -3.950 1.00 22.11 C ATOM 1641 CD1 ILE A 99 -1.025 15.434 -4.989 1.00 41.14 C ATOM 0 H ILE A 99 4.066 17.239 -4.565 1.00 73.51 H new ATOM 0 HA ILE A 99 2.975 14.993 -6.085 1.00 62.04 H new ATOM 0 HB ILE A 99 1.552 14.996 -4.126 1.00 52.00 H new ATOM 0 HG12 ILE A 99 0.185 16.506 -6.382 1.00 22.44 H new ATOM 0 HG13 ILE A 99 0.473 14.777 -6.359 1.00 22.44 H new ATOM 0 HG21 ILE A 99 0.360 17.018 -3.378 1.00 22.11 H new ATOM 0 HG22 ILE A 99 2.125 17.216 -3.266 1.00 22.11 H new ATOM 0 HG23 ILE A 99 1.228 17.978 -4.601 1.00 22.11 H new ATOM 0 HD11 ILE A 99 -1.830 15.290 -5.710 1.00 41.14 H new ATOM 0 HD12 ILE A 99 -0.947 14.553 -4.352 1.00 41.14 H new ATOM 0 HD13 ILE A 99 -1.240 16.308 -4.375 1.00 41.14 H new ATOM 1653 N LYS A 100 2.201 16.597 -7.877 1.00 23.41 N ATOM 1654 CA LYS A 100 1.996 17.515 -8.990 1.00 45.44 C ATOM 1655 C LYS A 100 0.586 17.380 -9.555 1.00 12.52 C ATOM 1656 O LYS A 100 0.058 16.275 -9.674 1.00 31.31 O ATOM 1657 CB LYS A 100 3.025 17.251 -10.092 1.00 44.51 C ATOM 1658 CG LYS A 100 4.451 17.142 -9.579 1.00 51.14 C ATOM 1659 CD LYS A 100 4.944 18.464 -9.015 1.00 54.12 C ATOM 1660 CE LYS A 100 5.257 19.460 -10.121 1.00 53.13 C ATOM 1661 NZ LYS A 100 6.632 19.276 -10.661 1.00 24.52 N ATOM 0 H LYS A 100 2.005 15.620 -8.095 1.00 23.41 H new ATOM 0 HA LYS A 100 2.123 18.531 -8.617 1.00 45.44 H new ATOM 0 HB2 LYS A 100 2.762 16.328 -10.609 1.00 44.51 H new ATOM 0 HB3 LYS A 100 2.972 18.054 -10.827 1.00 44.51 H new ATOM 0 HG2 LYS A 100 4.503 16.374 -8.807 1.00 51.14 H new ATOM 0 HG3 LYS A 100 5.107 16.824 -10.390 1.00 51.14 H new ATOM 0 HD2 LYS A 100 4.188 18.882 -8.351 1.00 54.12 H new ATOM 0 HD3 LYS A 100 5.837 18.294 -8.414 1.00 54.12 H new ATOM 0 HE2 LYS A 100 4.532 19.347 -10.927 1.00 53.13 H new ATOM 0 HE3 LYS A 100 5.151 20.474 -9.737 1.00 53.13 H new ATOM 0 HZ1 LYS A 100 6.806 19.974 -11.412 1.00 24.52 H new ATOM 0 HZ2 LYS A 100 7.326 19.409 -9.897 1.00 24.52 H new ATOM 0 HZ3 LYS A 100 6.726 18.317 -11.051 1.00 24.52 H new ATOM 1675 N ASP A 101 -0.018 18.512 -9.902 1.00 32.43 N ATOM 1676 CA ASP A 101 -1.367 18.519 -10.456 1.00 40.22 C ATOM 1677 C ASP A 101 -1.335 18.780 -11.959 1.00 32.10 C ATOM 1678 O ASP A 101 -1.399 19.927 -12.401 1.00 44.13 O ATOM 1679 CB ASP A 101 -2.222 19.579 -9.760 1.00 44.51 C ATOM 1680 CG ASP A 101 -3.634 19.636 -10.308 1.00 70.01 C ATOM 1681 OD1 ASP A 101 -4.309 18.586 -10.316 1.00 34.13 O ATOM 1682 OD2 ASP A 101 -4.064 20.730 -10.730 1.00 43.23 O ATOM 0 H ASP A 101 0.405 19.436 -9.809 1.00 32.43 H new ATOM 0 HA ASP A 101 -1.809 17.537 -10.285 1.00 40.22 H new ATOM 0 HB2 ASP A 101 -2.259 19.368 -8.691 1.00 44.51 H new ATOM 0 HB3 ASP A 101 -1.751 20.555 -9.876 1.00 44.51 H new ATOM 1687 N ARG A 102 -1.235 17.708 -12.738 1.00 54.14 N ATOM 1688 CA ARG A 102 -1.193 17.821 -14.191 1.00 42.32 C ATOM 1689 C ARG A 102 -2.580 18.115 -14.755 1.00 0.53 C ATOM 1690 O ARG A 102 -3.602 17.881 -14.109 1.00 3.21 O ATOM 1691 CB ARG A 102 -0.642 16.534 -14.808 1.00 54.24 C ATOM 1692 CG ARG A 102 0.874 16.509 -14.914 1.00 53.32 C ATOM 1693 CD ARG A 102 1.528 16.484 -13.541 1.00 75.25 C ATOM 1694 NE ARG A 102 1.714 17.827 -12.999 1.00 61.11 N ATOM 1695 CZ ARG A 102 2.579 18.706 -13.494 1.00 32.43 C ATOM 1696 NH1 ARG A 102 3.332 18.385 -14.537 1.00 30.44 N ATOM 1697 NH2 ARG A 102 2.691 19.909 -12.945 1.00 61.33 N ATOM 0 H ARG A 102 -1.182 16.752 -12.387 1.00 54.14 H new ATOM 0 HA ARG A 102 -0.533 18.650 -14.446 1.00 42.32 H new ATOM 0 HB2 ARG A 102 -0.970 15.685 -14.209 1.00 54.24 H new ATOM 0 HB3 ARG A 102 -1.069 16.406 -15.803 1.00 54.24 H new ATOM 0 HG2 ARG A 102 1.186 15.633 -15.483 1.00 53.32 H new ATOM 0 HG3 ARG A 102 1.216 17.385 -15.465 1.00 53.32 H new ATOM 0 HD2 ARG A 102 0.913 15.899 -12.857 1.00 75.25 H new ATOM 0 HD3 ARG A 102 2.494 15.983 -13.609 1.00 75.25 H new ATOM 0 HE ARG A 102 1.149 18.106 -12.197 1.00 61.11 H new ATOM 0 HH11 ARG A 102 3.248 17.461 -14.962 1.00 30.44 H new ATOM 0 HH12 ARG A 102 3.995 19.062 -14.915 1.00 30.44 H new ATOM 0 HH21 ARG A 102 2.113 20.159 -12.143 1.00 61.33 H new ATOM 0 HH22 ARG A 102 3.355 20.583 -13.325 1.00 61.33 H new ATOM 1711 N PRO A 103 -2.619 18.642 -15.988 1.00 23.23 N ATOM 1712 CA PRO A 103 -3.874 18.979 -16.665 1.00 51.43 C ATOM 1713 C PRO A 103 -4.670 17.741 -17.063 1.00 25.21 C ATOM 1714 O PRO A 103 -4.102 16.742 -17.507 1.00 53.50 O ATOM 1715 CB PRO A 103 -3.412 19.740 -17.910 1.00 44.43 C ATOM 1716 CG PRO A 103 -2.031 19.244 -18.166 1.00 45.14 C ATOM 1717 CD PRO A 103 -1.440 18.947 -16.816 1.00 0.42 C ATOM 0 HA PRO A 103 -4.542 19.551 -16.022 1.00 51.43 H new ATOM 0 HB2 PRO A 103 -4.067 19.544 -18.759 1.00 44.43 H new ATOM 0 HB3 PRO A 103 -3.421 20.817 -17.742 1.00 44.43 H new ATOM 0 HG2 PRO A 103 -2.047 18.350 -18.790 1.00 45.14 H new ATOM 0 HG3 PRO A 103 -1.440 19.992 -18.695 1.00 45.14 H new ATOM 0 HD2 PRO A 103 -0.748 18.105 -16.856 1.00 0.42 H new ATOM 0 HD3 PRO A 103 -0.883 19.799 -16.425 1.00 0.42 H new ATOM 1725 N VAL A 104 -5.987 17.812 -16.901 1.00 30.10 N ATOM 1726 CA VAL A 104 -6.861 16.697 -17.245 1.00 22.53 C ATOM 1727 C VAL A 104 -6.959 16.521 -18.756 1.00 13.01 C ATOM 1728 O VAL A 104 -7.103 17.493 -19.497 1.00 52.42 O ATOM 1729 CB VAL A 104 -8.276 16.894 -16.669 1.00 24.34 C ATOM 1730 CG1 VAL A 104 -8.960 18.082 -17.327 1.00 44.10 C ATOM 1731 CG2 VAL A 104 -9.102 15.629 -16.842 1.00 73.44 C ATOM 0 H VAL A 104 -6.472 18.630 -16.534 1.00 30.10 H new ATOM 0 HA VAL A 104 -6.420 15.802 -16.806 1.00 22.53 H new ATOM 0 HB VAL A 104 -8.190 17.101 -15.602 1.00 24.34 H new ATOM 0 HG11 VAL A 104 -9.958 18.205 -16.907 1.00 44.10 H new ATOM 0 HG12 VAL A 104 -8.376 18.984 -17.146 1.00 44.10 H new ATOM 0 HG13 VAL A 104 -9.037 17.909 -18.400 1.00 44.10 H new ATOM 0 HG21 VAL A 104 -10.099 15.786 -16.430 1.00 73.44 H new ATOM 0 HG22 VAL A 104 -9.182 15.389 -17.902 1.00 73.44 H new ATOM 0 HG23 VAL A 104 -8.618 14.804 -16.318 1.00 73.44 H new ATOM 1741 N LYS A 105 -6.881 15.274 -19.207 1.00 72.24 N ATOM 1742 CA LYS A 105 -6.963 14.968 -20.631 1.00 12.33 C ATOM 1743 C LYS A 105 -8.414 14.787 -21.066 1.00 1.24 C ATOM 1744 O LYS A 105 -9.206 14.156 -20.367 1.00 10.01 O ATOM 1745 CB LYS A 105 -6.163 13.703 -20.949 1.00 4.42 C ATOM 1746 CG LYS A 105 -5.232 13.856 -22.139 1.00 44.11 C ATOM 1747 CD LYS A 105 -5.982 14.313 -23.379 1.00 1.42 C ATOM 1748 CE LYS A 105 -5.270 13.882 -24.652 1.00 10.21 C ATOM 1749 NZ LYS A 105 -5.630 12.492 -25.045 1.00 21.42 N ATOM 0 H LYS A 105 -6.761 14.458 -18.607 1.00 72.24 H new ATOM 0 HA LYS A 105 -6.539 15.807 -21.182 1.00 12.33 H new ATOM 0 HB2 LYS A 105 -5.577 13.424 -20.073 1.00 4.42 H new ATOM 0 HB3 LYS A 105 -6.856 12.884 -21.143 1.00 4.42 H new ATOM 0 HG2 LYS A 105 -4.450 14.576 -21.900 1.00 44.11 H new ATOM 0 HG3 LYS A 105 -4.739 12.905 -22.341 1.00 44.11 H new ATOM 0 HD2 LYS A 105 -6.991 13.901 -23.368 1.00 1.42 H new ATOM 0 HD3 LYS A 105 -6.081 15.398 -23.366 1.00 1.42 H new ATOM 0 HE2 LYS A 105 -5.526 14.566 -25.461 1.00 10.21 H new ATOM 0 HE3 LYS A 105 -4.192 13.951 -24.506 1.00 10.21 H new ATOM 0 HZ1 LYS A 105 -5.124 12.236 -25.917 1.00 21.42 H new ATOM 0 HZ2 LYS A 105 -5.362 11.836 -24.284 1.00 21.42 H new ATOM 0 HZ3 LYS A 105 -6.655 12.432 -25.209 1.00 21.42 H new ATOM 1763 N GLU A 106 -8.754 15.344 -22.224 1.00 63.11 N ATOM 1764 CA GLU A 106 -10.110 15.242 -22.751 1.00 45.21 C ATOM 1765 C GLU A 106 -10.360 13.859 -23.345 1.00 41.24 C ATOM 1766 O GLU A 106 -9.505 13.303 -24.034 1.00 64.04 O ATOM 1767 CB GLU A 106 -10.349 16.317 -23.813 1.00 75.04 C ATOM 1768 CG GLU A 106 -10.335 17.732 -23.261 1.00 53.53 C ATOM 1769 CD GLU A 106 -8.946 18.341 -23.251 1.00 74.14 C ATOM 1770 OE1 GLU A 106 -8.211 18.123 -22.266 1.00 63.51 O ATOM 1771 OE2 GLU A 106 -8.595 19.035 -24.228 1.00 53.20 O ATOM 0 H GLU A 106 -8.110 15.870 -22.815 1.00 63.11 H new ATOM 0 HA GLU A 106 -10.806 15.395 -21.926 1.00 45.21 H new ATOM 0 HB2 GLU A 106 -9.584 16.230 -24.585 1.00 75.04 H new ATOM 0 HB3 GLU A 106 -11.310 16.133 -24.294 1.00 75.04 H new ATOM 0 HG2 GLU A 106 -10.998 18.358 -23.859 1.00 53.53 H new ATOM 0 HG3 GLU A 106 -10.732 17.726 -22.246 1.00 53.53 H new ATOM 1778 N VAL A 107 -11.539 13.309 -23.073 1.00 50.11 N ATOM 1779 CA VAL A 107 -11.904 11.992 -23.580 1.00 65.35 C ATOM 1780 C VAL A 107 -12.968 12.096 -24.667 1.00 11.53 C ATOM 1781 O VAL A 107 -13.894 12.902 -24.568 1.00 40.42 O ATOM 1782 CB VAL A 107 -12.424 11.080 -22.453 1.00 40.41 C ATOM 1783 CG1 VAL A 107 -13.358 10.019 -23.013 1.00 74.30 C ATOM 1784 CG2 VAL A 107 -11.263 10.441 -21.707 1.00 61.40 C ATOM 0 H VAL A 107 -12.258 13.756 -22.504 1.00 50.11 H new ATOM 0 HA VAL A 107 -10.999 11.555 -24.002 1.00 65.35 H new ATOM 0 HB VAL A 107 -12.988 11.689 -21.747 1.00 40.41 H new ATOM 0 HG11 VAL A 107 -13.715 9.384 -22.202 1.00 74.30 H new ATOM 0 HG12 VAL A 107 -14.207 10.501 -23.498 1.00 74.30 H new ATOM 0 HG13 VAL A 107 -12.822 9.410 -23.741 1.00 74.30 H new ATOM 0 HG21 VAL A 107 -11.649 9.800 -20.914 1.00 61.40 H new ATOM 0 HG22 VAL A 107 -10.670 9.844 -22.400 1.00 61.40 H new ATOM 0 HG23 VAL A 107 -10.637 11.220 -21.271 1.00 61.40 H new ATOM 1794 N HIS A 108 -12.831 11.276 -25.703 1.00 63.15 N ATOM 1795 CA HIS A 108 -13.782 11.275 -26.809 1.00 41.12 C ATOM 1796 C HIS A 108 -14.354 9.878 -27.033 1.00 1.43 C ATOM 1797 O HIS A 108 -13.956 8.922 -26.369 1.00 63.44 O ATOM 1798 CB HIS A 108 -13.110 11.774 -28.088 1.00 44.34 C ATOM 1799 CG HIS A 108 -11.803 11.102 -28.380 1.00 53.11 C ATOM 1800 ND1 HIS A 108 -10.607 11.511 -27.829 1.00 71.14 N ATOM 1801 CD2 HIS A 108 -11.510 10.042 -29.169 1.00 41.10 C ATOM 1802 CE1 HIS A 108 -9.634 10.733 -28.268 1.00 71.54 C ATOM 1803 NE2 HIS A 108 -10.156 9.833 -29.083 1.00 25.45 N ATOM 0 H HIS A 108 -12.071 10.603 -25.800 1.00 63.15 H new ATOM 0 HA HIS A 108 -14.601 11.947 -26.552 1.00 41.12 H new ATOM 0 HB2 HIS A 108 -13.786 11.617 -28.929 1.00 44.34 H new ATOM 0 HB3 HIS A 108 -12.946 12.849 -28.007 1.00 44.34 H new ATOM 0 HD2 HIS A 108 -12.211 9.468 -29.757 1.00 41.10 H new ATOM 0 HE1 HIS A 108 -8.590 10.818 -28.006 1.00 71.54 H new ATOM 0 HE2 HIS A 108 -9.637 9.102 -29.569 1.00 25.45 H new ATOM 1811 N GLU A 109 -15.290 9.771 -27.971 1.00 20.45 N ATOM 1812 CA GLU A 109 -15.917 8.491 -28.279 1.00 71.13 C ATOM 1813 C GLU A 109 -15.011 7.641 -29.166 1.00 34.24 C ATOM 1814 O GLU A 109 -14.627 8.058 -30.258 1.00 23.34 O ATOM 1815 CB GLU A 109 -17.264 8.711 -28.971 1.00 12.54 C ATOM 1816 CG GLU A 109 -18.097 9.817 -28.343 1.00 64.01 C ATOM 1817 CD GLU A 109 -18.004 11.123 -29.108 1.00 24.00 C ATOM 1818 OE1 GLU A 109 -16.906 11.719 -29.132 1.00 32.03 O ATOM 1819 OE2 GLU A 109 -19.027 11.549 -29.682 1.00 51.13 O ATOM 0 H GLU A 109 -15.630 10.554 -28.530 1.00 20.45 H new ATOM 0 HA GLU A 109 -16.080 7.961 -27.341 1.00 71.13 H new ATOM 0 HB2 GLU A 109 -17.089 8.950 -30.020 1.00 12.54 H new ATOM 0 HB3 GLU A 109 -17.832 7.781 -28.946 1.00 12.54 H new ATOM 0 HG2 GLU A 109 -19.139 9.501 -28.297 1.00 64.01 H new ATOM 0 HG3 GLU A 109 -17.767 9.977 -27.317 1.00 64.01 H new ATOM 1826 N GLU A 110 -14.675 6.447 -28.686 1.00 41.41 N ATOM 1827 CA GLU A 110 -13.813 5.540 -29.434 1.00 73.43 C ATOM 1828 C GLU A 110 -13.494 4.293 -28.614 1.00 73.34 C ATOM 1829 O GLU A 110 -14.117 4.038 -27.583 1.00 53.44 O ATOM 1830 CB GLU A 110 -12.516 6.246 -29.835 1.00 32.34 C ATOM 1831 CG GLU A 110 -12.214 6.166 -31.322 1.00 1.44 C ATOM 1832 CD GLU A 110 -11.530 7.414 -31.845 1.00 42.32 C ATOM 1833 OE1 GLU A 110 -12.241 8.377 -32.200 1.00 52.02 O ATOM 1834 OE2 GLU A 110 -10.282 7.427 -31.899 1.00 50.55 O ATOM 0 H GLU A 110 -14.986 6.086 -27.784 1.00 41.41 H new ATOM 0 HA GLU A 110 -14.345 5.235 -30.335 1.00 73.43 H new ATOM 0 HB2 GLU A 110 -12.577 7.294 -29.541 1.00 32.34 H new ATOM 0 HB3 GLU A 110 -11.687 5.807 -29.280 1.00 32.34 H new ATOM 0 HG2 GLU A 110 -11.580 5.301 -31.514 1.00 1.44 H new ATOM 0 HG3 GLU A 110 -13.143 6.008 -31.870 1.00 1.44 H new ATOM 1841 N TYR A 111 -12.520 3.519 -29.080 1.00 75.24 N ATOM 1842 CA TYR A 111 -12.120 2.297 -28.393 1.00 71.10 C ATOM 1843 C TYR A 111 -10.649 2.353 -27.994 1.00 44.40 C ATOM 1844 O TYR A 111 -9.766 2.027 -28.788 1.00 3.34 O ATOM 1845 CB TYR A 111 -12.372 1.080 -29.284 1.00 61.53 C ATOM 1846 CG TYR A 111 -13.838 0.790 -29.513 1.00 71.41 C ATOM 1847 CD1 TYR A 111 -14.617 1.628 -30.301 1.00 14.24 C ATOM 1848 CD2 TYR A 111 -14.444 -0.322 -28.941 1.00 74.14 C ATOM 1849 CE1 TYR A 111 -15.958 1.368 -30.512 1.00 64.20 C ATOM 1850 CE2 TYR A 111 -15.783 -0.591 -29.149 1.00 34.15 C ATOM 1851 CZ TYR A 111 -16.536 0.257 -29.934 1.00 62.23 C ATOM 1852 OH TYR A 111 -17.870 -0.007 -30.142 1.00 13.01 O ATOM 0 H TYR A 111 -11.993 3.716 -29.931 1.00 75.24 H new ATOM 0 HA TYR A 111 -12.720 2.207 -27.488 1.00 71.10 H new ATOM 0 HB2 TYR A 111 -11.887 1.239 -30.247 1.00 61.53 H new ATOM 0 HB3 TYR A 111 -11.904 0.206 -28.832 1.00 61.53 H new ATOM 0 HD1 TYR A 111 -14.167 2.498 -30.757 1.00 14.24 H new ATOM 0 HD2 TYR A 111 -13.858 -0.987 -28.324 1.00 74.14 H new ATOM 0 HE1 TYR A 111 -16.550 2.031 -31.126 1.00 64.20 H new ATOM 0 HE2 TYR A 111 -16.238 -1.461 -28.699 1.00 34.15 H new ATOM 0 HH TYR A 111 -18.119 -0.827 -29.666 1.00 13.01 H new ATOM 1862 N ASP A 112 -10.393 2.769 -26.758 1.00 53.25 N ATOM 1863 CA ASP A 112 -9.029 2.867 -26.251 1.00 55.43 C ATOM 1864 C ASP A 112 -8.982 2.563 -24.757 1.00 51.42 C ATOM 1865 O ASP A 112 -8.411 1.557 -24.335 1.00 44.04 O ATOM 1866 CB ASP A 112 -8.463 4.263 -26.519 1.00 25.52 C ATOM 1867 CG ASP A 112 -7.004 4.380 -26.123 1.00 2.32 C ATOM 1868 OD1 ASP A 112 -6.709 4.296 -24.912 1.00 64.00 O ATOM 1869 OD2 ASP A 112 -6.157 4.556 -27.024 1.00 13.04 O ATOM 0 H ASP A 112 -11.112 3.044 -26.089 1.00 53.25 H new ATOM 0 HA ASP A 112 -8.419 2.130 -26.772 1.00 55.43 H new ATOM 0 HB2 ASP A 112 -8.569 4.498 -27.578 1.00 25.52 H new ATOM 0 HB3 ASP A 112 -9.047 5.001 -25.968 1.00 25.52 H new ATOM 1874 N LEU A 113 -9.585 3.439 -23.961 1.00 41.41 N ATOM 1875 CA LEU A 113 -9.611 3.266 -22.513 1.00 21.41 C ATOM 1876 C LEU A 113 -10.237 1.927 -22.136 1.00 71.33 C ATOM 1877 O LEU A 113 -10.584 1.127 -23.005 1.00 74.30 O ATOM 1878 CB LEU A 113 -10.388 4.408 -21.856 1.00 73.23 C ATOM 1879 CG LEU A 113 -9.642 5.735 -21.719 1.00 13.51 C ATOM 1880 CD1 LEU A 113 -9.056 6.159 -23.057 1.00 15.52 C ATOM 1881 CD2 LEU A 113 -10.568 6.813 -21.174 1.00 40.52 C ATOM 0 H LEU A 113 -10.063 4.276 -24.294 1.00 41.41 H new ATOM 0 HA LEU A 113 -8.583 3.280 -22.152 1.00 21.41 H new ATOM 0 HB2 LEU A 113 -11.296 4.582 -22.433 1.00 73.23 H new ATOM 0 HB3 LEU A 113 -10.699 4.085 -20.863 1.00 73.23 H new ATOM 0 HG LEU A 113 -8.822 5.598 -21.014 1.00 13.51 H new ATOM 0 HD11 LEU A 113 -8.529 7.106 -22.940 1.00 15.52 H new ATOM 0 HD12 LEU A 113 -8.360 5.397 -23.407 1.00 15.52 H new ATOM 0 HD13 LEU A 113 -9.859 6.279 -23.784 1.00 15.52 H new ATOM 0 HD21 LEU A 113 -10.020 7.751 -21.083 1.00 40.52 H new ATOM 0 HD22 LEU A 113 -11.409 6.948 -21.854 1.00 40.52 H new ATOM 0 HD23 LEU A 113 -10.939 6.513 -20.194 1.00 40.52 H new ATOM 1893 N TRP A 114 -10.380 1.691 -20.837 1.00 42.12 N ATOM 1894 CA TRP A 114 -10.967 0.450 -20.346 1.00 23.53 C ATOM 1895 C TRP A 114 -12.431 0.339 -20.757 1.00 2.54 C ATOM 1896 O TRP A 114 -12.905 -0.739 -21.110 1.00 73.42 O ATOM 1897 CB TRP A 114 -10.844 0.371 -18.823 1.00 51.21 C ATOM 1898 CG TRP A 114 -9.471 -0.009 -18.356 1.00 54.44 C ATOM 1899 CD1 TRP A 114 -8.712 0.644 -17.428 1.00 43.00 C ATOM 1900 CD2 TRP A 114 -8.695 -1.128 -18.798 1.00 14.12 C ATOM 1901 NE1 TRP A 114 -7.510 -0.002 -17.266 1.00 21.23 N ATOM 1902 CE2 TRP A 114 -7.476 -1.093 -18.094 1.00 43.40 C ATOM 1903 CE3 TRP A 114 -8.913 -2.157 -19.717 1.00 62.53 C ATOM 1904 CZ2 TRP A 114 -6.479 -2.047 -18.284 1.00 14.44 C ATOM 1905 CZ3 TRP A 114 -7.923 -3.103 -19.904 1.00 61.35 C ATOM 1906 CH2 TRP A 114 -6.719 -3.043 -19.190 1.00 60.30 C ATOM 0 H TRP A 114 -10.098 2.343 -20.105 1.00 42.12 H new ATOM 0 HA TRP A 114 -10.421 -0.382 -20.791 1.00 23.53 H new ATOM 0 HB2 TRP A 114 -11.112 1.336 -18.394 1.00 51.21 H new ATOM 0 HB3 TRP A 114 -11.563 -0.356 -18.445 1.00 51.21 H new ATOM 0 HD1 TRP A 114 -9.012 1.537 -16.899 1.00 43.00 H new ATOM 0 HE1 TRP A 114 -6.764 0.284 -16.632 1.00 21.23 H new ATOM 0 HE3 TRP A 114 -9.838 -2.212 -20.271 1.00 62.53 H new ATOM 0 HZ2 TRP A 114 -5.550 -2.002 -17.736 1.00 14.44 H new ATOM 0 HZ3 TRP A 114 -8.080 -3.902 -20.613 1.00 61.35 H new ATOM 0 HH2 TRP A 114 -5.966 -3.798 -19.358 1.00 60.30 H new ATOM 1917 N GLU A 115 -13.141 1.462 -20.708 1.00 1.24 N ATOM 1918 CA GLU A 115 -14.552 1.489 -21.075 1.00 1.52 C ATOM 1919 C GLU A 115 -15.260 0.220 -20.610 1.00 3.13 C ATOM 1920 O GLU A 115 -15.639 -0.625 -21.421 1.00 3.21 O ATOM 1921 CB GLU A 115 -14.705 1.646 -22.589 1.00 43.02 C ATOM 1922 CG GLU A 115 -13.874 0.657 -23.390 1.00 51.42 C ATOM 1923 CD GLU A 115 -14.078 0.801 -24.886 1.00 12.21 C ATOM 1924 OE1 GLU A 115 -14.864 1.681 -25.295 1.00 12.52 O ATOM 1925 OE2 GLU A 115 -13.453 0.034 -25.647 1.00 61.10 O ATOM 0 H GLU A 115 -12.763 2.364 -20.418 1.00 1.24 H new ATOM 0 HA GLU A 115 -15.013 2.343 -20.580 1.00 1.52 H new ATOM 0 HB2 GLU A 115 -15.755 1.524 -22.854 1.00 43.02 H new ATOM 0 HB3 GLU A 115 -14.420 2.660 -22.871 1.00 43.02 H new ATOM 0 HG2 GLU A 115 -12.819 0.800 -23.155 1.00 51.42 H new ATOM 0 HG3 GLU A 115 -14.133 -0.358 -23.088 1.00 51.42 H new ATOM 1932 N ASP A 116 -15.434 0.094 -19.299 1.00 23.42 N ATOM 1933 CA ASP A 116 -16.096 -1.072 -18.724 1.00 51.34 C ATOM 1934 C ASP A 116 -16.171 -0.960 -17.205 1.00 21.22 C ATOM 1935 O ASP A 116 -17.250 -0.932 -16.612 1.00 42.23 O ATOM 1936 CB ASP A 116 -15.357 -2.351 -19.119 1.00 24.25 C ATOM 1937 CG ASP A 116 -15.423 -3.414 -18.039 1.00 71.15 C ATOM 1938 OD1 ASP A 116 -16.535 -3.680 -17.536 1.00 4.14 O ATOM 1939 OD2 ASP A 116 -14.364 -3.981 -17.699 1.00 43.34 O ATOM 0 H ASP A 116 -15.126 0.785 -18.614 1.00 23.42 H new ATOM 0 HA ASP A 116 -17.112 -1.113 -19.117 1.00 51.34 H new ATOM 0 HB2 ASP A 116 -15.786 -2.746 -20.040 1.00 24.25 H new ATOM 0 HB3 ASP A 116 -14.314 -2.115 -19.329 1.00 24.25 H new ATOM 1944 N PRO A 117 -14.998 -0.897 -16.557 1.00 40.54 N ATOM 1945 CA PRO A 117 -14.904 -0.788 -15.099 1.00 1.25 C ATOM 1946 C PRO A 117 -15.372 0.570 -14.587 1.00 44.41 C ATOM 1947 O PRO A 117 -16.269 0.653 -13.748 1.00 75.44 O ATOM 1948 CB PRO A 117 -13.410 -0.977 -14.824 1.00 41.03 C ATOM 1949 CG PRO A 117 -12.737 -0.552 -16.084 1.00 21.33 C ATOM 1950 CD PRO A 117 -13.673 -0.925 -17.200 1.00 32.23 C ATOM 0 HA PRO A 117 -15.540 -1.516 -14.595 1.00 1.25 H new ATOM 0 HB2 PRO A 117 -13.084 -0.373 -13.977 1.00 41.03 H new ATOM 0 HB3 PRO A 117 -13.180 -2.015 -14.583 1.00 41.03 H new ATOM 0 HG2 PRO A 117 -12.543 0.521 -16.080 1.00 21.33 H new ATOM 0 HG3 PRO A 117 -11.774 -1.050 -16.199 1.00 21.33 H new ATOM 0 HD2 PRO A 117 -13.613 -0.219 -18.028 1.00 32.23 H new ATOM 0 HD3 PRO A 117 -13.443 -1.911 -17.605 1.00 32.23 H new ATOM 1958 N ILE A 118 -14.758 1.633 -15.097 1.00 70.23 N ATOM 1959 CA ILE A 118 -15.113 2.987 -14.693 1.00 15.34 C ATOM 1960 C ILE A 118 -16.310 3.502 -15.486 1.00 31.34 C ATOM 1961 O ILE A 118 -16.884 4.541 -15.159 1.00 24.22 O ATOM 1962 CB ILE A 118 -13.933 3.959 -14.879 1.00 22.54 C ATOM 1963 CG1 ILE A 118 -13.108 3.564 -16.105 1.00 40.15 C ATOM 1964 CG2 ILE A 118 -13.061 3.978 -13.632 1.00 34.24 C ATOM 1965 CD1 ILE A 118 -13.923 3.470 -17.377 1.00 3.15 C ATOM 0 H ILE A 118 -14.012 1.582 -15.791 1.00 70.23 H new ATOM 0 HA ILE A 118 -15.372 2.942 -13.635 1.00 15.34 H new ATOM 0 HB ILE A 118 -14.329 4.962 -15.038 1.00 22.54 H new ATOM 0 HG12 ILE A 118 -12.311 4.294 -16.247 1.00 40.15 H new ATOM 0 HG13 ILE A 118 -12.630 2.602 -15.917 1.00 40.15 H new ATOM 0 HG21 ILE A 118 -12.231 4.669 -13.779 1.00 34.24 H new ATOM 0 HG22 ILE A 118 -13.655 4.301 -12.777 1.00 34.24 H new ATOM 0 HG23 ILE A 118 -12.671 2.977 -13.446 1.00 34.24 H new ATOM 0 HD11 ILE A 118 -13.274 3.186 -18.205 1.00 3.15 H new ATOM 0 HD12 ILE A 118 -14.704 2.720 -17.254 1.00 3.15 H new ATOM 0 HD13 ILE A 118 -14.379 4.437 -17.589 1.00 3.15 H new ATOM 1977 N TRP A 119 -16.682 2.767 -16.527 1.00 74.12 N ATOM 1978 CA TRP A 119 -17.813 3.148 -17.366 1.00 41.03 C ATOM 1979 C TRP A 119 -19.100 3.206 -16.551 1.00 52.55 C ATOM 1980 O TRP A 119 -20.030 3.935 -16.896 1.00 51.14 O ATOM 1981 CB TRP A 119 -17.971 2.160 -18.523 1.00 55.33 C ATOM 1982 CG TRP A 119 -19.039 2.554 -19.499 1.00 0.53 C ATOM 1983 CD1 TRP A 119 -19.247 3.796 -20.028 1.00 72.15 C ATOM 1984 CD2 TRP A 119 -20.045 1.703 -20.059 1.00 2.34 C ATOM 1985 NE1 TRP A 119 -20.322 3.768 -20.884 1.00 71.31 N ATOM 1986 CE2 TRP A 119 -20.828 2.495 -20.921 1.00 13.43 C ATOM 1987 CE3 TRP A 119 -20.359 0.349 -19.917 1.00 63.15 C ATOM 1988 CZ2 TRP A 119 -21.904 1.976 -21.635 1.00 55.34 C ATOM 1989 CZ3 TRP A 119 -21.427 -0.165 -20.627 1.00 54.33 C ATOM 1990 CH2 TRP A 119 -22.189 0.647 -21.478 1.00 54.20 C ATOM 0 H TRP A 119 -16.218 1.904 -16.811 1.00 74.12 H new ATOM 0 HA TRP A 119 -17.616 4.141 -17.770 1.00 41.03 H new ATOM 0 HB2 TRP A 119 -17.021 2.074 -19.050 1.00 55.33 H new ATOM 0 HB3 TRP A 119 -18.203 1.174 -18.120 1.00 55.33 H new ATOM 0 HD1 TRP A 119 -18.654 4.671 -19.806 1.00 72.15 H new ATOM 0 HE1 TRP A 119 -20.684 4.565 -21.407 1.00 71.31 H new ATOM 0 HE3 TRP A 119 -19.777 -0.285 -19.264 1.00 63.15 H new ATOM 0 HZ2 TRP A 119 -22.493 2.600 -22.290 1.00 55.34 H new ATOM 0 HZ3 TRP A 119 -21.679 -1.210 -20.524 1.00 54.33 H new ATOM 0 HH2 TRP A 119 -23.017 0.215 -22.020 1.00 54.20 H new ATOM 2001 N GLN A 120 -19.147 2.435 -15.470 1.00 4.30 N ATOM 2002 CA GLN A 120 -20.321 2.400 -14.607 1.00 55.41 C ATOM 2003 C GLN A 120 -20.039 3.087 -13.275 1.00 11.20 C ATOM 2004 O GLN A 120 -20.556 4.171 -13.002 1.00 42.02 O ATOM 2005 CB GLN A 120 -20.761 0.955 -14.366 1.00 44.12 C ATOM 2006 CG GLN A 120 -21.994 0.833 -13.486 1.00 20.41 C ATOM 2007 CD GLN A 120 -22.358 -0.609 -13.189 1.00 0.44 C ATOM 2008 OE1 GLN A 120 -22.534 -1.417 -14.100 1.00 61.43 O ATOM 2009 NE2 GLN A 120 -22.473 -0.938 -11.907 1.00 60.24 N ATOM 0 H GLN A 120 -18.385 1.826 -15.171 1.00 4.30 H new ATOM 0 HA GLN A 120 -21.125 2.938 -15.109 1.00 55.41 H new ATOM 0 HB2 GLN A 120 -20.962 0.480 -15.326 1.00 44.12 H new ATOM 0 HB3 GLN A 120 -19.940 0.406 -13.905 1.00 44.12 H new ATOM 0 HG2 GLN A 120 -21.820 1.361 -12.548 1.00 20.41 H new ATOM 0 HG3 GLN A 120 -22.835 1.323 -13.976 1.00 20.41 H new ATOM 0 HE21 GLN A 120 -22.318 -0.235 -11.184 1.00 60.24 H new ATOM 0 HE22 GLN A 120 -22.716 -1.893 -11.646 1.00 60.24 H new ATOM 2018 N TYR A 121 -19.217 2.450 -12.449 1.00 61.21 N ATOM 2019 CA TYR A 121 -18.868 2.998 -11.144 1.00 11.11 C ATOM 2020 C TYR A 121 -17.395 2.759 -10.829 1.00 5.41 C ATOM 2021 O TYR A 121 -16.651 2.226 -11.653 1.00 2.32 O ATOM 2022 CB TYR A 121 -19.742 2.373 -10.055 1.00 4.12 C ATOM 2023 CG TYR A 121 -19.399 0.931 -9.757 1.00 4.02 C ATOM 2024 CD1 TYR A 121 -19.547 -0.054 -10.725 1.00 52.35 C ATOM 2025 CD2 TYR A 121 -18.925 0.554 -8.506 1.00 62.52 C ATOM 2026 CE1 TYR A 121 -19.236 -1.372 -10.457 1.00 62.51 C ATOM 2027 CE2 TYR A 121 -18.609 -0.763 -8.229 1.00 54.34 C ATOM 2028 CZ TYR A 121 -18.767 -1.722 -9.208 1.00 11.02 C ATOM 2029 OH TYR A 121 -18.454 -3.034 -8.937 1.00 33.40 O ATOM 0 H TYR A 121 -18.780 1.553 -12.660 1.00 61.21 H new ATOM 0 HA TYR A 121 -19.045 4.073 -11.170 1.00 11.11 H new ATOM 0 HB2 TYR A 121 -19.642 2.958 -9.141 1.00 4.12 H new ATOM 0 HB3 TYR A 121 -20.787 2.434 -10.360 1.00 4.12 H new ATOM 0 HD1 TYR A 121 -19.912 0.216 -11.705 1.00 52.35 H new ATOM 0 HD2 TYR A 121 -18.801 1.303 -7.737 1.00 62.52 H new ATOM 0 HE1 TYR A 121 -19.359 -2.125 -11.221 1.00 62.51 H new ATOM 0 HE2 TYR A 121 -18.241 -1.039 -7.252 1.00 54.34 H new ATOM 0 HH TYR A 121 -18.137 -3.110 -8.013 1.00 33.40 H new ATOM 2039 N ILE A 122 -16.981 3.158 -9.631 1.00 25.53 N ATOM 2040 CA ILE A 122 -15.597 2.986 -9.205 1.00 71.21 C ATOM 2041 C ILE A 122 -15.154 1.533 -9.347 1.00 15.51 C ATOM 2042 O ILE A 122 -15.977 0.618 -9.331 1.00 55.13 O ATOM 2043 CB ILE A 122 -15.398 3.431 -7.744 1.00 51.13 C ATOM 2044 CG1 ILE A 122 -16.396 2.717 -6.830 1.00 63.21 C ATOM 2045 CG2 ILE A 122 -15.549 4.940 -7.625 1.00 41.33 C ATOM 2046 CD1 ILE A 122 -16.166 2.984 -5.359 1.00 63.11 C ATOM 0 H ILE A 122 -17.584 3.602 -8.938 1.00 25.53 H new ATOM 0 HA ILE A 122 -14.987 3.614 -9.854 1.00 71.21 H new ATOM 0 HB ILE A 122 -14.389 3.160 -7.431 1.00 51.13 H new ATOM 0 HG12 ILE A 122 -17.406 3.030 -7.094 1.00 63.21 H new ATOM 0 HG13 ILE A 122 -16.337 1.644 -7.010 1.00 63.21 H new ATOM 0 HG21 ILE A 122 -15.406 5.239 -6.587 1.00 41.33 H new ATOM 0 HG22 ILE A 122 -14.803 5.431 -8.250 1.00 41.33 H new ATOM 0 HG23 ILE A 122 -16.547 5.233 -7.953 1.00 41.33 H new ATOM 0 HD11 ILE A 122 -16.910 2.446 -4.771 1.00 63.11 H new ATOM 0 HD12 ILE A 122 -15.168 2.645 -5.079 1.00 63.11 H new ATOM 0 HD13 ILE A 122 -16.254 4.053 -5.165 1.00 63.11 H new TER 2058 ILE A 122