USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 757 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 8 CYS SG : rot 134:sc= -0.963 USER MOD Set 1.2: A 36 SER OG : rot 170:sc= -0.486 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.26) USER MOD Single : A 18 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.8!) USER MOD Single : A 21 GLN : amide:sc= -0.771 K(o=-0.77,f=-2.3!) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.0215 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.614 K(o=0.61,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.689 K(o=-0.69,f=-2!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.0012) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.0084) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 151:sc= -0.0761 (180deg=-0.612) USER MOD Single : A 52 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ -147:sc= -2.76 (180deg=-3.98!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0087 X(o=-0.0087,f=-0.26) USER MOD Single : A 58 MET CE :methyl -170:sc= -11.1! (180deg=-12.5!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc=-0.00445 X(o=-0.0044,f=-0.093) USER MOD Single : A 63 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-7.1!) USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= -0.284 (180deg=-0.683) USER MOD Single : A 69 GLN : amide:sc= -0.995 K(o=-0.99,f=-0.31) USER MOD Single : A 71 MET CE :methyl 139:sc= -13.6! (180deg=-17.3!) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=0.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -1.97 K(o=-2,f=-0.12) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.381 -20.078 50.169 1.00 74.34 N ATOM 2 CA MET A 1 -2.801 -19.706 49.950 1.00 5.24 C ATOM 3 C MET A 1 -3.405 -20.491 48.791 1.00 63.22 C ATOM 4 O MET A 1 -4.417 -21.172 48.952 1.00 43.14 O ATOM 5 CB MET A 1 -2.872 -18.206 49.661 1.00 32.40 C ATOM 6 CG MET A 1 -2.712 -17.340 50.900 1.00 40.53 C ATOM 7 SD MET A 1 -3.166 -15.620 50.611 1.00 23.45 S ATOM 8 CE MET A 1 -4.947 -15.707 50.776 1.00 0.14 C ATOM 0 H1 MET A 1 -0.997 -19.528 50.964 1.00 74.34 H new ATOM 0 H2 MET A 1 -1.318 -21.093 50.388 1.00 74.34 H new ATOM 0 H3 MET A 1 -0.832 -19.874 49.309 1.00 74.34 H new ATOM 0 HA MET A 1 -3.375 -19.946 50.845 1.00 5.24 H new ATOM 0 HB2 MET A 1 -2.095 -17.946 48.943 1.00 32.40 H new ATOM 0 HB3 MET A 1 -3.829 -17.980 49.191 1.00 32.40 H new ATOM 0 HG2 MET A 1 -3.329 -17.744 51.703 1.00 40.53 H new ATOM 0 HG3 MET A 1 -1.677 -17.386 51.239 1.00 40.53 H new ATOM 0 HE1 MET A 1 -5.375 -14.716 50.623 1.00 0.14 H new ATOM 0 HE2 MET A 1 -5.348 -16.394 50.031 1.00 0.14 H new ATOM 0 HE3 MET A 1 -5.203 -16.063 51.774 1.00 0.14 H new ATOM 20 N GLY A 2 -2.777 -20.389 47.623 1.00 62.30 N ATOM 21 CA GLY A 2 -3.266 -21.095 46.453 1.00 74.12 C ATOM 22 C GLY A 2 -3.477 -20.174 45.268 1.00 25.02 C ATOM 23 O GLY A 2 -2.983 -19.047 45.253 1.00 24.42 O ATOM 0 H GLY A 2 -1.938 -19.830 47.466 1.00 62.30 H new ATOM 0 HA2 GLY A 2 -2.556 -21.876 46.181 1.00 74.12 H new ATOM 0 HA3 GLY A 2 -4.206 -21.590 46.697 1.00 74.12 H new ATOM 27 N SER A 3 -4.215 -20.654 44.273 1.00 50.14 N ATOM 28 CA SER A 3 -4.494 -19.866 43.078 1.00 44.11 C ATOM 29 C SER A 3 -5.995 -19.657 42.907 1.00 63.22 C ATOM 30 O SER A 3 -6.771 -20.610 42.943 1.00 1.32 O ATOM 31 CB SER A 3 -3.916 -20.555 41.840 1.00 62.01 C ATOM 32 OG SER A 3 -4.335 -19.907 40.653 1.00 44.20 O ATOM 0 H SER A 3 -4.631 -21.585 44.270 1.00 50.14 H new ATOM 0 HA SER A 3 -4.020 -18.891 43.194 1.00 44.11 H new ATOM 0 HB2 SER A 3 -2.827 -20.553 41.894 1.00 62.01 H new ATOM 0 HB3 SER A 3 -4.232 -21.598 41.820 1.00 62.01 H new ATOM 0 HG SER A 3 -3.951 -20.366 39.877 1.00 44.20 H new ATOM 38 N ARG A 4 -6.398 -18.403 42.725 1.00 31.34 N ATOM 39 CA ARG A 4 -7.808 -18.069 42.552 1.00 43.33 C ATOM 40 C ARG A 4 -8.182 -18.041 41.073 1.00 64.44 C ATOM 41 O ARG A 4 -7.980 -17.035 40.392 1.00 62.35 O ATOM 42 CB ARG A 4 -8.117 -16.714 43.195 1.00 75.15 C ATOM 43 CG ARG A 4 -9.604 -16.419 43.315 1.00 51.01 C ATOM 44 CD ARG A 4 -9.866 -14.923 43.417 1.00 3.44 C ATOM 45 NE ARG A 4 -11.260 -14.633 43.742 1.00 11.55 N ATOM 46 CZ ARG A 4 -11.800 -14.828 44.942 1.00 0.02 C ATOM 47 NH1 ARG A 4 -11.065 -15.309 45.938 1.00 3.51 N ATOM 48 NH2 ARG A 4 -13.077 -14.540 45.149 1.00 22.33 N ATOM 0 H ARG A 4 -5.768 -17.601 42.693 1.00 31.34 H new ATOM 0 HA ARG A 4 -8.401 -18.839 43.044 1.00 43.33 H new ATOM 0 HB2 ARG A 4 -7.668 -16.682 44.188 1.00 75.15 H new ATOM 0 HB3 ARG A 4 -7.646 -15.927 42.607 1.00 75.15 H new ATOM 0 HG2 ARG A 4 -10.128 -16.824 42.449 1.00 51.01 H new ATOM 0 HG3 ARG A 4 -10.007 -16.921 44.195 1.00 51.01 H new ATOM 0 HD2 ARG A 4 -9.218 -14.493 44.181 1.00 3.44 H new ATOM 0 HD3 ARG A 4 -9.607 -14.444 42.473 1.00 3.44 H new ATOM 0 HE ARG A 4 -11.856 -14.258 43.004 1.00 11.55 H new ATOM 0 HH11 ARG A 4 -10.081 -15.531 45.785 1.00 3.51 H new ATOM 0 HH12 ARG A 4 -11.484 -15.457 46.856 1.00 3.51 H new ATOM 0 HH21 ARG A 4 -13.646 -14.169 44.388 1.00 22.33 H new ATOM 0 HH22 ARG A 4 -13.491 -14.690 46.069 1.00 22.33 H new ATOM 62 N THR A 5 -8.730 -19.149 40.583 1.00 61.43 N ATOM 63 CA THR A 5 -9.135 -19.248 39.186 1.00 75.42 C ATOM 64 C THR A 5 -10.575 -18.780 39.013 1.00 53.15 C ATOM 65 O THR A 5 -11.507 -19.402 39.523 1.00 32.22 O ATOM 66 CB THR A 5 -8.991 -20.690 38.691 1.00 2.14 C ATOM 67 OG1 THR A 5 -7.662 -21.150 38.868 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.346 -20.865 37.229 1.00 34.41 C ATOM 0 H THR A 5 -8.903 -19.990 41.133 1.00 61.43 H new ATOM 0 HA THR A 5 -8.484 -18.605 38.594 1.00 75.42 H new ATOM 0 HB THR A 5 -9.695 -21.269 39.288 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.590 -22.073 38.548 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.221 -21.910 36.947 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.382 -20.567 37.068 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.691 -20.244 36.619 1.00 34.41 H new ATOM 76 N ILE A 6 -10.748 -17.675 38.297 1.00 1.53 N ATOM 77 CA ILE A 6 -12.072 -17.113 38.063 1.00 33.41 C ATOM 78 C ILE A 6 -12.799 -17.852 36.943 1.00 11.10 C ATOM 79 O ILE A 6 -12.293 -18.835 36.402 1.00 72.21 O ATOM 80 CB ILE A 6 -11.989 -15.612 37.713 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.315 -15.402 36.352 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.232 -14.860 38.799 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.648 -14.072 35.713 1.00 23.21 C ATOM 0 H ILE A 6 -9.986 -17.150 37.868 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.634 -17.232 38.989 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.004 -15.219 37.653 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.235 -15.477 36.475 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.615 -16.205 35.679 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.180 -13.802 38.541 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.750 -14.976 39.751 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.223 -15.263 38.884 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.137 -13.991 34.753 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.725 -14.002 35.558 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.322 -13.263 36.367 1.00 23.21 H new ATOM 95 N PHE A 7 -13.983 -17.360 36.593 1.00 13.34 N ATOM 96 CA PHE A 7 -14.776 -17.961 35.530 1.00 50.22 C ATOM 97 C PHE A 7 -15.013 -16.953 34.415 1.00 42.14 C ATOM 98 O PHE A 7 -15.921 -16.125 34.495 1.00 72.41 O ATOM 99 CB PHE A 7 -16.114 -18.463 36.074 1.00 50.24 C ATOM 100 CG PHE A 7 -16.697 -19.590 35.272 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.059 -20.819 35.222 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.879 -19.423 34.570 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.591 -21.859 34.486 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.415 -20.461 33.831 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.769 -21.681 33.789 1.00 21.53 C ATOM 0 H PHE A 7 -14.414 -16.546 37.031 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.223 -18.810 35.129 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -15.979 -18.792 37.104 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.823 -17.636 36.094 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.136 -20.965 35.764 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.388 -18.471 34.600 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.085 -22.813 34.456 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.337 -20.318 33.287 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.185 -22.494 33.212 1.00 21.53 H new ATOM 115 N CYS A 8 -14.187 -17.018 33.377 1.00 31.32 N ATOM 116 CA CYS A 8 -14.308 -16.099 32.255 1.00 54.41 C ATOM 117 C CYS A 8 -15.682 -16.219 31.600 1.00 65.22 C ATOM 118 O CYS A 8 -16.264 -17.302 31.555 1.00 34.32 O ATOM 119 CB CYS A 8 -13.208 -16.365 31.225 1.00 24.25 C ATOM 120 SG CYS A 8 -13.072 -15.097 29.943 1.00 51.15 S ATOM 0 H CYS A 8 -13.429 -17.695 33.290 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.196 -15.084 32.635 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.252 -16.446 31.743 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.396 -17.328 30.750 1.00 24.25 H new ATOM 0 HG CYS A 8 -11.823 -14.776 29.781 1.00 51.15 H new ATOM 126 N THR A 9 -16.193 -15.102 31.091 1.00 52.25 N ATOM 127 CA THR A 9 -17.497 -15.087 30.435 1.00 12.21 C ATOM 128 C THR A 9 -17.340 -15.167 28.919 1.00 43.22 C ATOM 129 O THR A 9 -18.244 -15.618 28.215 1.00 73.23 O ATOM 130 CB THR A 9 -18.271 -13.824 30.817 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.602 -13.885 30.334 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.647 -12.556 30.282 1.00 1.45 C ATOM 0 H THR A 9 -15.725 -14.196 31.120 1.00 52.25 H new ATOM 0 HA THR A 9 -18.057 -15.959 30.771 1.00 12.21 H new ATOM 0 HB THR A 9 -18.248 -13.790 31.906 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.081 -13.069 30.590 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.245 -11.698 30.589 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.636 -12.453 30.677 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.609 -12.601 29.194 1.00 1.45 H new ATOM 140 N PHE A 10 -16.183 -14.737 28.424 1.00 65.32 N ATOM 141 CA PHE A 10 -15.907 -14.771 26.994 1.00 62.40 C ATOM 142 C PHE A 10 -15.630 -16.201 26.552 1.00 73.04 C ATOM 143 O PHE A 10 -16.147 -16.664 25.535 1.00 1.33 O ATOM 144 CB PHE A 10 -14.710 -13.880 26.663 1.00 25.33 C ATOM 145 CG PHE A 10 -14.332 -13.893 25.209 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.122 -13.251 24.269 1.00 62.10 C ATOM 147 CD2 PHE A 10 -13.187 -14.545 24.782 1.00 61.21 C ATOM 148 CE1 PHE A 10 -14.776 -13.257 22.933 1.00 3.30 C ATOM 149 CE2 PHE A 10 -12.836 -14.557 23.445 1.00 51.44 C ATOM 150 CZ PHE A 10 -13.632 -13.911 22.519 1.00 24.22 C ATOM 0 H PHE A 10 -15.424 -14.362 28.992 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.780 -14.396 26.460 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.937 -12.856 26.961 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.853 -14.202 27.255 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -16.019 -12.740 24.586 1.00 62.10 H new ATOM 0 HD2 PHE A 10 -12.561 -15.050 25.502 1.00 61.21 H new ATOM 0 HE1 PHE A 10 -15.400 -12.750 22.211 1.00 3.30 H new ATOM 0 HE2 PHE A 10 -11.941 -15.070 23.125 1.00 51.44 H new ATOM 0 HZ PHE A 10 -13.360 -13.917 21.474 1.00 24.22 H new ATOM 160 N LEU A 11 -14.816 -16.897 27.336 1.00 73.11 N ATOM 161 CA LEU A 11 -14.470 -18.281 27.049 1.00 31.00 C ATOM 162 C LEU A 11 -15.486 -19.231 27.671 1.00 73.10 C ATOM 163 O LEU A 11 -15.581 -20.395 27.281 1.00 62.15 O ATOM 164 CB LEU A 11 -13.070 -18.603 27.576 1.00 1.01 C ATOM 165 CG LEU A 11 -12.030 -17.496 27.386 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.020 -17.510 28.524 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.328 -17.655 26.044 1.00 2.01 C ATOM 0 H LEU A 11 -14.382 -16.522 28.179 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.482 -18.414 25.967 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.143 -18.832 28.639 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -12.711 -19.505 27.080 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.542 -16.534 27.397 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.289 -16.716 28.371 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.536 -17.351 29.471 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.510 -18.473 28.546 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.591 -16.861 25.922 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -10.828 -18.623 26.007 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.062 -17.595 25.240 1.00 2.01 H new ATOM 179 N GLN A 12 -16.241 -18.729 28.645 1.00 23.53 N ATOM 180 CA GLN A 12 -17.243 -19.535 29.324 1.00 23.44 C ATOM 181 C GLN A 12 -16.584 -20.703 30.049 1.00 25.43 C ATOM 182 O GLN A 12 -17.103 -21.820 30.054 1.00 51.41 O ATOM 183 CB GLN A 12 -18.282 -20.049 28.328 1.00 53.11 C ATOM 184 CG GLN A 12 -19.461 -19.109 28.146 1.00 64.42 C ATOM 185 CD GLN A 12 -20.202 -18.848 29.444 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.934 -19.706 29.936 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.014 -17.660 30.005 1.00 71.40 N ATOM 0 H GLN A 12 -16.175 -17.768 28.979 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.748 -18.908 30.059 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -17.801 -20.208 27.363 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -18.649 -21.019 28.665 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.107 -18.163 27.737 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.151 -19.534 27.417 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.398 -16.979 29.562 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.486 -17.428 30.879 1.00 71.40 H new ATOM 196 N ARG A 13 -15.439 -20.432 30.670 1.00 31.42 N ATOM 197 CA ARG A 13 -14.703 -21.456 31.408 1.00 30.23 C ATOM 198 C ARG A 13 -14.087 -20.861 32.673 1.00 63.10 C ATOM 199 O ARG A 13 -14.367 -19.717 33.034 1.00 64.23 O ATOM 200 CB ARG A 13 -13.595 -22.075 30.544 1.00 73.20 C ATOM 201 CG ARG A 13 -13.773 -21.859 29.048 1.00 72.11 C ATOM 202 CD ARG A 13 -12.475 -22.105 28.296 1.00 24.42 C ATOM 203 NE ARG A 13 -12.679 -22.167 26.848 1.00 51.31 N ATOM 204 CZ ARG A 13 -12.595 -23.285 26.127 1.00 21.21 C ATOM 205 NH1 ARG A 13 -12.335 -24.449 26.709 1.00 22.03 N ATOM 206 NH2 ARG A 13 -12.778 -23.235 24.815 1.00 63.21 N ATOM 0 H ARG A 13 -15.000 -19.511 30.677 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.411 -22.239 31.681 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.636 -21.655 30.848 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.552 -23.146 30.742 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -14.546 -22.528 28.671 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.115 -20.841 28.864 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -11.766 -21.310 28.528 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -12.030 -23.039 28.639 1.00 24.42 H new ATOM 0 HE ARG A 13 -12.900 -21.299 26.359 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -12.197 -24.495 27.719 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -12.273 -25.298 26.147 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -12.982 -22.344 24.362 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -12.715 -24.087 24.258 1.00 63.21 H new ATOM 220 N GLU A 14 -13.242 -21.642 33.338 1.00 1.13 N ATOM 221 CA GLU A 14 -12.580 -21.191 34.557 1.00 34.13 C ATOM 222 C GLU A 14 -11.107 -20.903 34.288 1.00 14.15 C ATOM 223 O GLU A 14 -10.337 -21.809 33.969 1.00 14.24 O ATOM 224 CB GLU A 14 -12.720 -22.237 35.664 1.00 13.12 C ATOM 225 CG GLU A 14 -13.013 -21.641 37.033 1.00 33.02 C ATOM 226 CD GLU A 14 -13.856 -22.557 37.898 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.865 -23.777 37.637 1.00 65.42 O ATOM 228 OE2 GLU A 14 -14.507 -22.052 38.837 1.00 33.53 O ATOM 0 H GLU A 14 -12.999 -22.591 33.053 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.061 -20.270 34.887 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.520 -22.929 35.400 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.800 -22.820 35.720 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.073 -21.430 37.542 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.529 -20.689 36.908 1.00 33.02 H new ATOM 235 N ALA A 15 -10.723 -19.636 34.405 1.00 12.03 N ATOM 236 CA ALA A 15 -9.343 -19.236 34.162 1.00 21.22 C ATOM 237 C ALA A 15 -8.858 -18.228 35.199 1.00 54.41 C ATOM 238 O ALA A 15 -9.655 -17.553 35.849 1.00 2.04 O ATOM 239 CB ALA A 15 -9.209 -18.653 32.764 1.00 50.14 C ATOM 0 H ALA A 15 -11.346 -18.872 34.666 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.718 -20.125 34.246 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.174 -18.357 32.591 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.500 -19.402 32.028 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.857 -17.781 32.670 1.00 50.14 H new ATOM 245 N GLU A 16 -7.539 -18.131 35.339 1.00 3.04 N ATOM 246 CA GLU A 16 -6.928 -17.206 36.288 1.00 72.43 C ATOM 247 C GLU A 16 -7.461 -15.791 36.085 1.00 31.24 C ATOM 248 O GLU A 16 -8.241 -15.538 35.168 1.00 54.24 O ATOM 249 CB GLU A 16 -5.405 -17.216 36.130 1.00 40.45 C ATOM 250 CG GLU A 16 -4.923 -16.659 34.798 1.00 2.55 C ATOM 251 CD GLU A 16 -5.041 -17.662 33.668 1.00 45.03 C ATOM 252 OE1 GLU A 16 -4.420 -18.742 33.763 1.00 45.02 O ATOM 253 OE2 GLU A 16 -5.754 -17.368 32.685 1.00 44.31 O ATOM 0 H GLU A 16 -6.870 -18.685 34.804 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.186 -17.532 37.296 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.961 -16.635 36.938 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.044 -18.239 36.238 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.501 -15.769 34.550 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -3.883 -16.347 34.894 1.00 2.55 H new ATOM 260 N GLY A 17 -7.036 -14.874 36.946 1.00 52.13 N ATOM 261 CA GLY A 17 -7.485 -13.499 36.840 1.00 51.12 C ATOM 262 C GLY A 17 -6.340 -12.506 36.838 1.00 22.35 C ATOM 263 O GLY A 17 -5.171 -12.892 36.790 1.00 53.22 O ATOM 0 H GLY A 17 -6.390 -15.057 37.714 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.064 -13.380 35.924 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.153 -13.275 37.671 1.00 51.12 H new ATOM 267 N GLN A 18 -6.679 -11.223 36.891 1.00 21.14 N ATOM 268 CA GLN A 18 -5.678 -10.165 36.896 1.00 54.11 C ATOM 269 C GLN A 18 -5.537 -9.568 38.294 1.00 43.52 C ATOM 270 O GLN A 18 -6.517 -9.447 39.028 1.00 15.54 O ATOM 271 CB GLN A 18 -6.054 -9.075 35.888 1.00 11.52 C ATOM 272 CG GLN A 18 -6.295 -9.606 34.482 1.00 53.05 C ATOM 273 CD GLN A 18 -7.748 -9.512 34.061 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.181 -8.506 33.498 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.511 -10.565 34.331 1.00 14.32 N ATOM 0 H GLN A 18 -7.642 -10.891 36.931 1.00 21.14 H new ATOM 0 HA GLN A 18 -4.719 -10.594 36.606 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -6.953 -8.565 36.234 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.258 -8.331 35.855 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -5.680 -9.047 33.777 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -5.973 -10.646 34.431 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.111 -11.378 34.799 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.497 -10.561 34.070 1.00 14.32 H new ATOM 284 N ASP A 19 -4.310 -9.209 38.660 1.00 30.30 N ATOM 285 CA ASP A 19 -4.042 -8.636 39.976 1.00 31.15 C ATOM 286 C ASP A 19 -4.377 -7.149 40.011 1.00 54.34 C ATOM 287 O ASP A 19 -4.700 -6.603 41.065 1.00 62.12 O ATOM 288 CB ASP A 19 -2.576 -8.848 40.360 1.00 61.25 C ATOM 289 CG ASP A 19 -2.420 -9.364 41.778 1.00 4.21 C ATOM 290 OD1 ASP A 19 -2.848 -10.507 42.044 1.00 63.02 O ATOM 291 OD2 ASP A 19 -1.870 -8.625 42.622 1.00 32.45 O ATOM 0 H ASP A 19 -3.487 -9.304 38.065 1.00 30.30 H new ATOM 0 HA ASP A 19 -4.680 -9.147 40.697 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.120 -9.555 39.667 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.036 -7.907 40.257 1.00 61.25 H new ATOM 296 N PHE A 20 -4.290 -6.496 38.858 1.00 75.50 N ATOM 297 CA PHE A 20 -4.582 -5.070 38.771 1.00 61.11 C ATOM 298 C PHE A 20 -5.552 -4.774 37.636 1.00 11.10 C ATOM 299 O PHE A 20 -5.378 -5.254 36.516 1.00 10.14 O ATOM 300 CB PHE A 20 -3.290 -4.275 38.569 1.00 42.10 C ATOM 301 CG PHE A 20 -2.409 -4.834 37.488 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.597 -4.472 36.163 1.00 62.20 C ATOM 303 CD2 PHE A 20 -1.392 -5.724 37.798 1.00 53.11 C ATOM 304 CE1 PHE A 20 -1.787 -4.986 35.169 1.00 64.11 C ATOM 305 CE2 PHE A 20 -0.581 -6.241 36.808 1.00 13.12 C ATOM 306 CZ PHE A 20 -0.778 -5.873 35.492 1.00 51.01 C ATOM 0 H PHE A 20 -4.021 -6.929 37.974 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.049 -4.767 39.708 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.542 -3.243 38.325 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -2.734 -4.255 39.506 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -3.385 -3.780 35.905 1.00 62.20 H new ATOM 0 HD2 PHE A 20 -1.233 -6.016 38.826 1.00 53.11 H new ATOM 0 HE1 PHE A 20 -1.942 -4.695 34.141 1.00 64.11 H new ATOM 0 HE2 PHE A 20 0.208 -6.933 37.063 1.00 13.12 H new ATOM 0 HZ PHE A 20 -0.145 -6.278 34.716 1.00 51.01 H new ATOM 316 N GLN A 21 -6.572 -3.977 37.931 1.00 15.34 N ATOM 317 CA GLN A 21 -7.568 -3.610 36.935 1.00 22.42 C ATOM 318 C GLN A 21 -6.916 -2.870 35.770 1.00 75.54 C ATOM 319 O GLN A 21 -6.053 -2.016 35.970 1.00 3.30 O ATOM 320 CB GLN A 21 -8.654 -2.742 37.572 1.00 41.11 C ATOM 321 CG GLN A 21 -9.861 -2.527 36.680 1.00 63.45 C ATOM 322 CD GLN A 21 -11.082 -2.065 37.453 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.709 -2.848 38.165 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.423 -0.789 37.316 1.00 51.02 N ATOM 0 H GLN A 21 -6.730 -3.572 38.854 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.025 -4.522 36.550 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -8.979 -3.207 38.503 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.227 -1.773 37.831 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.617 -1.788 35.917 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.095 -3.456 36.160 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -10.873 -0.176 36.714 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.235 -0.422 37.813 1.00 51.02 H new ATOM 333 N LEU A 22 -7.324 -3.209 34.552 1.00 10.45 N ATOM 334 CA LEU A 22 -6.769 -2.583 33.358 1.00 4.02 C ATOM 335 C LEU A 22 -7.655 -1.444 32.865 1.00 35.51 C ATOM 336 O LEU A 22 -7.163 -0.381 32.482 1.00 71.53 O ATOM 337 CB LEU A 22 -6.588 -3.627 32.255 1.00 12.14 C ATOM 338 CG LEU A 22 -6.006 -4.962 32.722 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.862 -5.923 31.550 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.662 -4.747 33.405 1.00 4.03 C ATOM 0 H LEU A 22 -8.037 -3.914 34.366 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.798 -2.162 33.618 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.555 -3.812 31.788 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.937 -3.212 31.486 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.693 -5.403 33.444 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -5.446 -6.867 31.902 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -6.840 -6.101 31.103 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.196 -5.490 30.804 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.262 -5.707 33.731 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -3.968 -4.284 32.704 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.793 -4.096 34.269 1.00 4.03 H new ATOM 352 N TYR A 23 -8.964 -1.667 32.879 1.00 34.05 N ATOM 353 CA TYR A 23 -9.918 -0.655 32.440 1.00 23.50 C ATOM 354 C TYR A 23 -10.412 0.163 33.637 1.00 25.40 C ATOM 355 O TYR A 23 -10.289 -0.271 34.779 1.00 43.13 O ATOM 356 CB TYR A 23 -11.094 -1.324 31.733 1.00 63.45 C ATOM 357 CG TYR A 23 -11.267 -0.907 30.294 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.323 -1.228 29.328 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.384 -0.188 29.908 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.494 -0.841 28.011 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.564 0.202 28.600 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.618 -0.126 27.653 1.00 12.35 C ATOM 363 OH TYR A 23 -11.796 0.260 26.344 1.00 2.05 O ATOM 0 H TYR A 23 -9.389 -2.540 33.190 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.423 0.020 31.741 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.960 -2.405 31.773 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -12.010 -1.095 32.279 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.443 -1.788 29.609 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.128 0.072 30.646 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.753 -1.097 27.268 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.443 0.763 28.317 1.00 71.50 H new ATOM 0 HH TYR A 23 -11.369 -0.392 25.750 1.00 2.05 H new ATOM 373 N PRO A 24 -10.965 1.365 33.403 1.00 32.24 N ATOM 374 CA PRO A 24 -11.453 2.231 34.479 1.00 11.05 C ATOM 375 C PRO A 24 -12.912 1.975 34.841 1.00 1.33 C ATOM 376 O PRO A 24 -13.562 1.087 34.290 1.00 21.12 O ATOM 377 CB PRO A 24 -11.318 3.606 33.846 1.00 65.33 C ATOM 378 CG PRO A 24 -11.709 3.362 32.431 1.00 43.20 C ATOM 379 CD PRO A 24 -11.150 2.001 32.084 1.00 63.42 C ATOM 0 HA PRO A 24 -10.907 2.082 35.411 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.970 4.337 34.325 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.300 3.988 33.923 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.793 3.382 32.315 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.304 4.131 31.774 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.836 1.433 31.456 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.209 2.079 31.539 1.00 63.42 H new ATOM 387 N GLY A 25 -13.418 2.790 35.764 1.00 62.31 N ATOM 388 CA GLY A 25 -14.801 2.690 36.197 1.00 55.53 C ATOM 389 C GLY A 25 -15.290 1.270 36.396 1.00 61.45 C ATOM 390 O GLY A 25 -14.580 0.421 36.935 1.00 31.03 O ATOM 0 H GLY A 25 -12.885 3.528 36.225 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.917 3.236 37.133 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.437 3.181 35.460 1.00 55.53 H new ATOM 394 N GLU A 26 -16.528 1.031 35.976 1.00 34.32 N ATOM 395 CA GLU A 26 -17.158 -0.278 36.121 1.00 25.33 C ATOM 396 C GLU A 26 -16.733 -1.240 35.020 1.00 14.12 C ATOM 397 O GLU A 26 -16.450 -2.408 35.284 1.00 61.02 O ATOM 398 CB GLU A 26 -18.676 -0.127 36.107 1.00 60.13 C ATOM 399 CG GLU A 26 -19.188 0.929 37.068 1.00 32.34 C ATOM 400 CD GLU A 26 -19.930 0.342 38.255 1.00 53.51 C ATOM 401 OE1 GLU A 26 -19.893 -0.895 38.428 1.00 61.30 O ATOM 402 OE2 GLU A 26 -20.546 1.122 39.012 1.00 44.40 O ATOM 0 H GLU A 26 -17.119 1.732 35.529 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.832 -0.695 37.074 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.999 0.125 35.097 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -19.131 -1.086 36.357 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -18.347 1.522 37.429 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -19.851 1.609 36.532 1.00 32.34 H new ATOM 409 N LEU A 27 -16.693 -0.750 33.783 1.00 43.20 N ATOM 410 CA LEU A 27 -16.306 -1.585 32.648 1.00 70.03 C ATOM 411 C LEU A 27 -15.041 -2.371 32.979 1.00 3.24 C ATOM 412 O LEU A 27 -14.964 -3.575 32.738 1.00 43.43 O ATOM 413 CB LEU A 27 -16.096 -0.725 31.398 1.00 42.54 C ATOM 414 CG LEU A 27 -17.187 -0.867 30.331 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.831 -0.075 29.081 1.00 14.22 C ATOM 416 CD2 LEU A 27 -17.411 -2.333 29.986 1.00 51.13 C ATOM 0 H LEU A 27 -16.922 0.214 33.542 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.110 -2.293 32.444 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.036 0.321 31.699 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -15.136 -0.984 30.953 1.00 42.54 H new ATOM 0 HG LEU A 27 -18.113 -0.461 30.739 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -17.621 -0.192 28.339 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -16.726 0.980 29.336 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -15.891 -0.445 28.672 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.189 -2.413 29.227 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -16.485 -2.762 29.603 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -17.719 -2.874 30.880 1.00 51.13 H new ATOM 428 N GLY A 28 -14.063 -1.683 33.552 1.00 3.43 N ATOM 429 CA GLY A 28 -12.825 -2.333 33.930 1.00 70.33 C ATOM 430 C GLY A 28 -13.027 -3.358 35.024 1.00 53.45 C ATOM 431 O GLY A 28 -12.332 -4.371 35.067 1.00 64.53 O ATOM 0 H GLY A 28 -14.105 -0.686 33.762 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.390 -2.818 33.056 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -12.110 -1.582 34.266 1.00 70.33 H new ATOM 435 N LYS A 29 -13.989 -3.104 35.903 1.00 41.30 N ATOM 436 CA LYS A 29 -14.279 -4.030 36.990 1.00 11.31 C ATOM 437 C LYS A 29 -14.712 -5.381 36.433 1.00 74.12 C ATOM 438 O LYS A 29 -14.127 -6.411 36.757 1.00 50.10 O ATOM 439 CB LYS A 29 -15.374 -3.467 37.898 1.00 13.40 C ATOM 440 CG LYS A 29 -15.387 -4.082 39.288 1.00 74.43 C ATOM 441 CD LYS A 29 -16.636 -3.690 40.061 1.00 54.40 C ATOM 442 CE LYS A 29 -17.852 -4.471 39.591 1.00 33.14 C ATOM 443 NZ LYS A 29 -18.224 -5.552 40.544 1.00 73.52 N ATOM 0 H LYS A 29 -14.577 -2.271 35.885 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.371 -4.163 37.578 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.241 -2.389 37.988 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -16.344 -3.631 37.428 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -15.334 -5.168 39.207 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -14.502 -3.760 39.837 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -16.477 -3.868 41.125 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -16.819 -2.622 39.940 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -18.695 -3.790 39.468 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -17.648 -4.905 38.612 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -19.058 -6.059 40.185 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -17.430 -6.217 40.642 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -18.444 -5.136 41.472 1.00 73.52 H new ATOM 457 N ARG A 30 -15.747 -5.363 35.597 1.00 14.42 N ATOM 458 CA ARG A 30 -16.272 -6.585 34.997 1.00 74.43 C ATOM 459 C ARG A 30 -15.220 -7.312 34.157 1.00 51.04 C ATOM 460 O ARG A 30 -15.111 -8.531 34.228 1.00 65.32 O ATOM 461 CB ARG A 30 -17.515 -6.294 34.150 1.00 42.34 C ATOM 462 CG ARG A 30 -17.366 -5.112 33.207 1.00 12.00 C ATOM 463 CD ARG A 30 -18.724 -4.635 32.703 1.00 64.35 C ATOM 464 NE ARG A 30 -19.089 -3.330 33.249 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.332 -2.853 33.263 1.00 44.23 C ATOM 466 NH1 ARG A 30 -21.333 -3.563 32.763 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.572 -1.658 33.781 1.00 70.40 N ATOM 0 H ARG A 30 -16.239 -4.514 35.320 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.553 -7.243 35.819 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.758 -7.182 33.566 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.359 -6.109 34.815 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.858 -4.295 33.720 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.740 -5.395 32.361 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.706 -4.579 31.615 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.487 -5.366 32.972 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.348 -2.750 33.643 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -21.155 -4.484 32.363 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -22.282 -3.188 32.779 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -19.806 -1.106 34.167 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -21.523 -1.289 33.794 1.00 70.40 H new ATOM 481 N ILE A 31 -14.441 -6.573 33.368 1.00 42.52 N ATOM 482 CA ILE A 31 -13.405 -7.200 32.542 1.00 44.44 C ATOM 483 C ILE A 31 -12.408 -7.922 33.426 1.00 73.55 C ATOM 484 O ILE A 31 -12.217 -9.133 33.328 1.00 62.43 O ATOM 485 CB ILE A 31 -12.639 -6.173 31.683 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.602 -5.298 30.888 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.670 -6.882 30.746 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.091 -3.893 30.685 1.00 24.11 C ATOM 0 H ILE A 31 -14.503 -5.559 33.282 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.911 -7.898 31.875 1.00 44.44 H new ATOM 0 HB ILE A 31 -12.070 -5.528 32.353 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.783 -5.757 29.916 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.560 -5.259 31.406 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.137 -6.144 30.147 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.954 -7.459 31.331 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.224 -7.552 30.088 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.820 -3.320 30.113 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.936 -3.419 31.654 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.147 -3.924 30.141 1.00 24.11 H new ATOM 500 N TYR A 32 -11.791 -7.153 34.306 1.00 64.50 N ATOM 501 CA TYR A 32 -10.822 -7.683 35.244 1.00 23.32 C ATOM 502 C TYR A 32 -11.463 -8.767 36.118 1.00 71.21 C ATOM 503 O TYR A 32 -10.762 -9.564 36.740 1.00 4.24 O ATOM 504 CB TYR A 32 -10.244 -6.530 36.079 1.00 61.31 C ATOM 505 CG TYR A 32 -9.915 -6.869 37.516 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.920 -7.007 38.464 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.599 -7.032 37.927 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.624 -7.301 39.779 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.293 -7.326 39.242 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.309 -7.460 40.164 1.00 75.01 C ATOM 511 OH TYR A 32 -9.009 -7.750 41.476 1.00 23.44 O ATOM 0 H TYR A 32 -11.948 -6.149 34.389 1.00 64.50 H new ATOM 0 HA TYR A 32 -10.001 -8.156 34.705 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.338 -6.170 35.592 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.958 -5.706 36.072 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.951 -6.882 38.167 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.801 -6.927 37.207 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.418 -7.406 40.503 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.264 -7.450 39.546 1.00 31.22 H new ATOM 0 HH TYR A 32 -8.038 -7.831 41.579 1.00 23.44 H new ATOM 521 N ASN A 33 -12.800 -8.791 36.161 1.00 73.34 N ATOM 522 CA ASN A 33 -13.516 -9.784 36.967 1.00 54.32 C ATOM 523 C ASN A 33 -13.939 -11.005 36.147 1.00 71.34 C ATOM 524 O ASN A 33 -13.547 -12.131 36.452 1.00 44.01 O ATOM 525 CB ASN A 33 -14.759 -9.163 37.609 1.00 0.31 C ATOM 526 CG ASN A 33 -14.549 -8.807 39.067 1.00 15.51 C ATOM 527 OD1 ASN A 33 -14.858 -9.598 39.961 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.024 -7.615 39.318 1.00 61.25 N ATOM 0 H ASN A 33 -13.401 -8.142 35.653 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.821 -10.115 37.739 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -15.038 -8.266 37.057 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.593 -9.860 37.526 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -13.861 -7.322 40.281 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -13.783 -6.991 38.548 1.00 61.25 H new ATOM 535 N GLU A 34 -14.772 -10.779 35.132 1.00 11.44 N ATOM 536 CA GLU A 34 -15.287 -11.866 34.303 1.00 12.01 C ATOM 537 C GLU A 34 -14.460 -12.092 33.037 1.00 33.04 C ATOM 538 O GLU A 34 -14.580 -13.135 32.399 1.00 14.34 O ATOM 539 CB GLU A 34 -16.740 -11.587 33.917 1.00 14.34 C ATOM 540 CG GLU A 34 -17.641 -11.290 35.103 1.00 71.44 C ATOM 541 CD GLU A 34 -18.257 -12.543 35.695 1.00 43.43 C ATOM 542 OE1 GLU A 34 -19.286 -13.008 35.159 1.00 60.04 O ATOM 543 OE2 GLU A 34 -17.713 -13.057 36.694 1.00 51.51 O ATOM 0 H GLU A 34 -15.104 -9.852 34.865 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.221 -12.775 34.901 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.768 -10.741 33.230 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.135 -12.448 33.378 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.065 -10.774 35.872 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.435 -10.612 34.791 1.00 71.44 H new ATOM 550 N ILE A 35 -13.625 -11.131 32.671 1.00 41.23 N ATOM 551 CA ILE A 35 -12.795 -11.274 31.480 1.00 15.01 C ATOM 552 C ILE A 35 -11.348 -11.567 31.866 1.00 22.10 C ATOM 553 O ILE A 35 -10.565 -10.652 32.126 1.00 72.42 O ATOM 554 CB ILE A 35 -12.851 -10.019 30.577 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.288 -9.752 30.106 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.926 -10.184 29.379 1.00 51.33 C ATOM 557 CD1 ILE A 35 -15.030 -10.997 29.673 1.00 44.35 C ATOM 0 H ILE A 35 -13.503 -10.252 33.174 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.196 -12.113 30.912 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.516 -9.163 31.162 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.842 -9.273 30.913 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.263 -9.048 29.275 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.977 -9.292 28.754 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.903 -10.325 29.726 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.235 -11.053 28.798 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -16.037 -10.728 29.354 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.500 -11.467 28.844 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -15.088 -11.695 30.508 1.00 44.35 H new ATOM 569 N SER A 36 -11.001 -12.851 31.900 1.00 32.24 N ATOM 570 CA SER A 36 -9.649 -13.273 32.253 1.00 70.31 C ATOM 571 C SER A 36 -8.625 -12.660 31.303 1.00 1.11 C ATOM 572 O SER A 36 -8.979 -11.885 30.414 1.00 2.44 O ATOM 573 CB SER A 36 -9.544 -14.799 32.222 1.00 53.15 C ATOM 574 OG SER A 36 -10.291 -15.342 31.146 1.00 41.34 O ATOM 0 H SER A 36 -11.639 -13.618 31.687 1.00 32.24 H new ATOM 0 HA SER A 36 -9.436 -12.923 33.263 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.499 -15.092 32.127 1.00 53.15 H new ATOM 0 HB3 SER A 36 -9.906 -15.210 33.164 1.00 53.15 H new ATOM 0 HG SER A 36 -10.081 -16.294 31.050 1.00 41.34 H new ATOM 580 N LYS A 37 -7.358 -13.008 31.495 1.00 42.00 N ATOM 581 CA LYS A 37 -6.290 -12.488 30.648 1.00 52.25 C ATOM 582 C LYS A 37 -6.339 -13.124 29.262 1.00 52.31 C ATOM 583 O LYS A 37 -5.909 -12.526 28.277 1.00 14.05 O ATOM 584 CB LYS A 37 -4.927 -12.744 31.294 1.00 71.22 C ATOM 585 CG LYS A 37 -4.865 -12.346 32.761 1.00 2.54 C ATOM 586 CD LYS A 37 -3.864 -13.196 33.531 1.00 32.52 C ATOM 587 CE LYS A 37 -2.756 -12.351 34.141 1.00 55.32 C ATOM 588 NZ LYS A 37 -1.405 -12.830 33.734 1.00 43.10 N ATOM 0 H LYS A 37 -7.045 -13.646 32.227 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.435 -11.413 30.540 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.684 -13.803 31.203 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.164 -12.193 30.744 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.589 -11.295 32.842 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.853 -12.451 33.209 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -4.382 -13.741 34.320 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -3.428 -13.939 32.863 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -2.881 -11.312 33.834 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -2.838 -12.375 35.228 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -0.677 -12.228 34.170 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -1.276 -13.813 34.049 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.318 -12.784 32.699 1.00 43.10 H new ATOM 602 N GLU A 38 -6.867 -14.343 29.196 1.00 41.40 N ATOM 603 CA GLU A 38 -6.977 -15.064 27.934 1.00 54.20 C ATOM 604 C GLU A 38 -7.971 -14.377 27.003 1.00 31.43 C ATOM 605 O GLU A 38 -7.689 -14.168 25.822 1.00 60.21 O ATOM 606 CB GLU A 38 -7.405 -16.512 28.188 1.00 41.40 C ATOM 607 CG GLU A 38 -6.393 -17.539 27.706 1.00 62.41 C ATOM 608 CD GLU A 38 -5.975 -18.505 28.797 1.00 30.14 C ATOM 609 OE1 GLU A 38 -6.715 -18.632 29.795 1.00 54.15 O ATOM 610 OE2 GLU A 38 -4.905 -19.134 28.655 1.00 72.33 O ATOM 0 H GLU A 38 -7.226 -14.852 30.004 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.999 -15.063 27.452 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.571 -16.651 29.256 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.358 -16.693 27.691 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -6.819 -18.099 26.874 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.511 -17.023 27.325 1.00 62.41 H new ATOM 617 N ALA A 39 -9.136 -14.028 27.540 1.00 51.41 N ATOM 618 CA ALA A 39 -10.171 -13.366 26.756 1.00 63.44 C ATOM 619 C ALA A 39 -9.775 -11.927 26.432 1.00 13.12 C ATOM 620 O ALA A 39 -9.996 -11.448 25.320 1.00 44.04 O ATOM 621 CB ALA A 39 -11.498 -13.400 27.498 1.00 12.31 C ATOM 0 H ALA A 39 -9.386 -14.193 28.515 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.283 -13.905 25.815 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.262 -12.902 26.901 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.791 -14.435 27.672 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.394 -12.887 28.454 1.00 12.31 H new ATOM 627 N TRP A 40 -9.186 -11.246 27.409 1.00 21.45 N ATOM 628 CA TRP A 40 -8.754 -9.865 27.227 1.00 64.40 C ATOM 629 C TRP A 40 -7.727 -9.763 26.105 1.00 11.24 C ATOM 630 O TRP A 40 -7.708 -8.787 25.353 1.00 3.30 O ATOM 631 CB TRP A 40 -8.159 -9.320 28.527 1.00 22.34 C ATOM 632 CG TRP A 40 -7.946 -7.835 28.518 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.777 -7.174 28.762 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.931 -6.826 28.258 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.972 -5.817 28.670 1.00 2.03 N ATOM 636 CE2 TRP A 40 -8.287 -5.578 28.362 1.00 22.04 C ATOM 637 CE3 TRP A 40 -10.293 -6.856 27.946 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.958 -4.374 28.166 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.959 -5.660 27.752 1.00 12.25 C ATOM 640 CH2 TRP A 40 -10.291 -4.434 27.862 1.00 72.40 C ATOM 0 H TRP A 40 -8.997 -11.628 28.336 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.626 -9.269 26.956 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.820 -9.578 29.355 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -7.205 -9.814 28.714 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.835 -7.649 28.994 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -6.256 -5.104 28.808 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.816 -7.797 27.858 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -8.445 -3.427 28.251 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -12.012 -5.671 27.512 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.839 -3.517 27.704 1.00 72.40 H new ATOM 651 N ALA A 41 -6.876 -10.779 25.995 1.00 22.20 N ATOM 652 CA ALA A 41 -5.848 -10.804 24.959 1.00 53.14 C ATOM 653 C ALA A 41 -6.469 -10.934 23.573 1.00 42.33 C ATOM 654 O ALA A 41 -5.864 -10.546 22.574 1.00 53.05 O ATOM 655 CB ALA A 41 -4.870 -11.941 25.210 1.00 23.01 C ATOM 0 H ALA A 41 -6.878 -11.594 26.609 1.00 22.20 H new ATOM 0 HA ALA A 41 -5.306 -9.859 24.999 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -4.110 -11.946 24.429 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.393 -11.803 26.180 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.406 -12.890 25.201 1.00 23.01 H new ATOM 661 N GLN A 42 -7.686 -11.469 23.517 1.00 45.32 N ATOM 662 CA GLN A 42 -8.386 -11.632 22.248 1.00 24.31 C ATOM 663 C GLN A 42 -9.017 -10.312 21.821 1.00 23.11 C ATOM 664 O GLN A 42 -9.193 -10.051 20.631 1.00 73.11 O ATOM 665 CB GLN A 42 -9.457 -12.717 22.359 1.00 64.34 C ATOM 666 CG GLN A 42 -8.937 -14.030 22.922 1.00 12.21 C ATOM 667 CD GLN A 42 -9.620 -15.235 22.308 1.00 5.23 C ATOM 668 OE1 GLN A 42 -10.037 -15.207 21.152 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.732 -16.307 23.084 1.00 44.42 N ATOM 0 H GLN A 42 -8.205 -11.795 24.332 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.662 -11.938 21.492 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -10.266 -12.354 22.994 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.883 -12.898 21.372 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.863 -14.097 22.747 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -9.086 -14.043 24.002 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -9.371 -16.286 24.038 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -10.179 -17.151 22.726 1.00 44.42 H new ATOM 678 N TRP A 43 -9.347 -9.477 22.804 1.00 55.12 N ATOM 679 CA TRP A 43 -9.945 -8.180 22.529 1.00 54.33 C ATOM 680 C TRP A 43 -8.866 -7.166 22.159 1.00 32.20 C ATOM 681 O TRP A 43 -8.950 -6.510 21.124 1.00 45.45 O ATOM 682 CB TRP A 43 -10.741 -7.686 23.743 1.00 21.24 C ATOM 683 CG TRP A 43 -10.982 -6.207 23.732 1.00 14.31 C ATOM 684 CD1 TRP A 43 -10.516 -5.292 24.632 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.736 -5.470 22.764 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.937 -4.032 24.284 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.688 -4.115 23.140 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.449 -5.824 21.614 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -12.325 -3.116 22.410 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -13.081 -4.830 20.890 1.00 23.33 C ATOM 691 CH2 TRP A 43 -13.013 -3.490 21.291 1.00 23.41 C ATOM 0 H TRP A 43 -9.209 -9.678 23.794 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.628 -8.288 21.687 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.700 -8.203 23.775 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -10.205 -7.953 24.654 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.906 -5.525 25.492 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.725 -3.174 24.794 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.505 -6.855 21.297 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -12.277 -2.082 22.717 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.636 -5.091 20.001 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.515 -2.736 20.703 1.00 23.41 H new ATOM 702 N GLN A 44 -7.852 -7.046 23.013 1.00 51.52 N ATOM 703 CA GLN A 44 -6.755 -6.112 22.770 1.00 3.30 C ATOM 704 C GLN A 44 -6.237 -6.253 21.342 1.00 74.45 C ATOM 705 O GLN A 44 -5.935 -5.262 20.677 1.00 32.54 O ATOM 706 CB GLN A 44 -5.618 -6.351 23.767 1.00 73.54 C ATOM 707 CG GLN A 44 -6.029 -6.153 25.218 1.00 4.42 C ATOM 708 CD GLN A 44 -5.582 -4.814 25.775 1.00 41.44 C ATOM 709 OE1 GLN A 44 -4.444 -4.660 26.215 1.00 2.02 O ATOM 710 NE2 GLN A 44 -6.481 -3.836 25.757 1.00 2.33 N ATOM 0 H GLN A 44 -7.767 -7.582 23.877 1.00 51.52 H new ATOM 0 HA GLN A 44 -7.133 -5.099 22.905 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -5.242 -7.366 23.640 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.795 -5.675 23.536 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -7.113 -6.232 25.298 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.605 -6.954 25.824 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -7.414 -4.008 25.383 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -6.238 -2.913 26.118 1.00 2.33 H new ATOM 719 N HIS A 45 -6.149 -7.494 20.878 1.00 5.13 N ATOM 720 CA HIS A 45 -5.684 -7.773 19.527 1.00 12.51 C ATOM 721 C HIS A 45 -6.671 -7.207 18.506 1.00 52.13 C ATOM 722 O HIS A 45 -6.281 -6.761 17.426 1.00 22.04 O ATOM 723 CB HIS A 45 -5.514 -9.282 19.332 1.00 61.45 C ATOM 724 CG HIS A 45 -5.232 -9.684 17.918 1.00 44.53 C ATOM 725 ND1 HIS A 45 -3.957 -9.873 17.428 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.069 -9.936 16.885 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.021 -10.220 16.155 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.292 -10.267 15.802 1.00 45.21 N ATOM 0 H HIS A 45 -6.394 -8.323 21.419 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.717 -7.293 19.377 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.700 -9.631 19.968 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.420 -9.786 19.669 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.148 -9.886 16.908 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -3.178 -10.429 15.513 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -5.641 -10.510 14.875 1.00 45.21 H new ATOM 736 N LYS A 46 -7.949 -7.216 18.869 1.00 55.53 N ATOM 737 CA LYS A 46 -9.004 -6.693 18.009 1.00 40.11 C ATOM 738 C LYS A 46 -9.174 -5.188 18.219 1.00 73.41 C ATOM 739 O LYS A 46 -9.741 -4.492 17.378 1.00 51.20 O ATOM 740 CB LYS A 46 -10.326 -7.412 18.285 1.00 2.14 C ATOM 741 CG LYS A 46 -11.464 -6.961 17.383 1.00 34.23 C ATOM 742 CD LYS A 46 -11.869 -8.051 16.405 1.00 13.22 C ATOM 743 CE LYS A 46 -13.170 -7.708 15.695 1.00 12.15 C ATOM 744 NZ LYS A 46 -13.704 -8.867 14.926 1.00 74.13 N ATOM 0 H LYS A 46 -8.281 -7.583 19.761 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.717 -6.871 16.973 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.179 -8.485 18.162 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.610 -7.247 19.324 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.323 -6.681 17.993 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.161 -6.071 16.832 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.078 -8.193 15.669 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -11.982 -8.995 16.937 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.910 -7.386 16.428 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.005 -6.869 15.019 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.591 -8.593 14.457 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.009 -9.158 14.210 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -13.886 -9.660 15.574 1.00 74.13 H new ATOM 758 N GLN A 47 -8.686 -4.691 19.353 1.00 52.34 N ATOM 759 CA GLN A 47 -8.787 -3.272 19.670 1.00 41.35 C ATOM 760 C GLN A 47 -7.875 -2.454 18.759 1.00 55.42 C ATOM 761 O GLN A 47 -8.284 -1.430 18.212 1.00 61.23 O ATOM 762 CB GLN A 47 -8.419 -3.037 21.143 1.00 50.34 C ATOM 763 CG GLN A 47 -8.248 -1.569 21.521 1.00 75.45 C ATOM 764 CD GLN A 47 -6.995 -1.319 22.340 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.842 -1.853 23.438 1.00 60.30 O ATOM 766 NE2 GLN A 47 -6.095 -0.499 21.810 1.00 24.34 N ATOM 0 H GLN A 47 -8.218 -5.250 20.066 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.815 -2.949 19.506 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.193 -3.474 21.773 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.492 -3.567 21.363 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.211 -0.966 20.614 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.119 -1.240 22.087 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -6.264 -0.079 20.896 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -5.235 -0.290 22.317 1.00 24.34 H new ATOM 775 N THR A 48 -6.635 -2.909 18.616 1.00 2.31 N ATOM 776 CA THR A 48 -5.656 -2.214 17.788 1.00 41.14 C ATOM 777 C THR A 48 -6.141 -2.057 16.347 1.00 32.32 C ATOM 778 O THR A 48 -5.944 -1.007 15.733 1.00 11.51 O ATOM 779 CB THR A 48 -4.315 -2.955 17.816 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.307 -2.188 17.181 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.356 -4.307 17.137 1.00 22.44 C ATOM 0 H THR A 48 -6.284 -3.756 19.063 1.00 2.31 H new ATOM 0 HA THR A 48 -5.524 -1.215 18.204 1.00 41.14 H new ATOM 0 HB THR A 48 -4.095 -3.107 18.873 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.458 -2.676 17.210 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.373 -4.773 17.195 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.089 -4.942 17.635 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.636 -4.181 16.091 1.00 22.44 H new ATOM 789 N MET A 49 -6.768 -3.097 15.803 1.00 63.31 N ATOM 790 CA MET A 49 -7.261 -3.049 14.429 1.00 24.21 C ATOM 791 C MET A 49 -8.510 -2.179 14.320 1.00 40.42 C ATOM 792 O MET A 49 -8.692 -1.462 13.337 1.00 5.35 O ATOM 793 CB MET A 49 -7.553 -4.459 13.909 1.00 25.43 C ATOM 794 CG MET A 49 -8.405 -5.292 14.851 1.00 13.45 C ATOM 795 SD MET A 49 -9.997 -5.752 14.136 1.00 74.20 S ATOM 796 CE MET A 49 -9.473 -6.687 12.701 1.00 41.13 C ATOM 0 H MET A 49 -6.946 -3.977 16.288 1.00 63.31 H new ATOM 0 HA MET A 49 -6.480 -2.603 13.813 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.058 -4.384 12.946 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.609 -4.975 13.734 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.860 -6.196 15.123 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.574 -4.733 15.771 1.00 13.45 H new ATOM 0 HE1 MET A 49 -10.227 -7.436 12.459 1.00 41.13 H new ATOM 0 HE2 MET A 49 -9.347 -6.013 11.854 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.526 -7.182 12.915 1.00 41.13 H new ATOM 806 N LEU A 50 -9.367 -2.241 15.334 1.00 10.12 N ATOM 807 CA LEU A 50 -10.594 -1.451 15.344 1.00 72.50 C ATOM 808 C LEU A 50 -10.279 0.037 15.331 1.00 24.05 C ATOM 809 O LEU A 50 -11.057 0.840 14.826 1.00 31.33 O ATOM 810 CB LEU A 50 -11.442 -1.793 16.569 1.00 35.02 C ATOM 811 CG LEU A 50 -12.199 -3.119 16.481 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.790 -3.485 17.836 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.288 -3.039 15.419 1.00 64.03 C ATOM 0 H LEU A 50 -9.235 -2.828 16.158 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.159 -1.695 14.444 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.794 -1.819 17.445 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.162 -0.991 16.729 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.498 -3.902 16.193 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.325 -4.431 17.756 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -11.988 -3.582 18.568 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.480 -2.704 18.155 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.818 -3.990 15.369 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.990 -2.246 15.677 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.837 -2.823 14.451 1.00 64.03 H new ATOM 825 N ILE A 51 -9.134 0.400 15.890 1.00 21.21 N ATOM 826 CA ILE A 51 -8.724 1.795 15.937 1.00 51.32 C ATOM 827 C ILE A 51 -8.037 2.204 14.642 1.00 51.43 C ATOM 828 O ILE A 51 -8.186 3.333 14.174 1.00 23.00 O ATOM 829 CB ILE A 51 -7.785 2.057 17.131 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.517 1.760 18.442 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.268 3.492 17.110 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.665 1.960 19.674 1.00 32.24 C ATOM 0 H ILE A 51 -8.474 -0.250 16.316 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.624 2.396 16.063 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.924 1.393 17.053 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.395 2.402 18.511 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.875 0.731 18.422 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.608 3.653 17.962 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.717 3.667 16.186 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.109 4.183 17.167 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.252 1.730 20.563 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.800 1.298 19.629 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.328 2.996 19.719 1.00 32.24 H new ATOM 844 N ASN A 52 -7.283 1.278 14.075 1.00 53.30 N ATOM 845 CA ASN A 52 -6.567 1.533 12.837 1.00 52.52 C ATOM 846 C ASN A 52 -7.503 1.459 11.634 1.00 23.31 C ATOM 847 O ASN A 52 -7.311 2.164 10.644 1.00 63.50 O ATOM 848 CB ASN A 52 -5.438 0.519 12.676 1.00 74.33 C ATOM 849 CG ASN A 52 -4.357 0.685 13.725 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.373 1.636 14.506 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.410 -0.246 13.747 1.00 75.53 N ATOM 0 H ASN A 52 -7.151 0.340 14.454 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.152 2.540 12.884 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.848 -0.489 12.737 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -4.997 0.625 11.685 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.656 -0.190 14.431 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.437 -1.017 13.080 1.00 75.53 H new ATOM 858 N GLU A 53 -8.510 0.597 11.722 1.00 22.35 N ATOM 859 CA GLU A 53 -9.467 0.432 10.633 1.00 2.12 C ATOM 860 C GLU A 53 -10.557 1.501 10.682 1.00 0.01 C ATOM 861 O GLU A 53 -10.782 2.212 9.701 1.00 44.44 O ATOM 862 CB GLU A 53 -10.100 -0.959 10.694 1.00 54.44 C ATOM 863 CG GLU A 53 -10.936 -1.298 9.470 1.00 72.53 C ATOM 864 CD GLU A 53 -11.297 -2.767 9.400 1.00 60.14 C ATOM 865 OE1 GLU A 53 -10.516 -3.596 9.913 1.00 3.25 O ATOM 866 OE2 GLU A 53 -12.362 -3.091 8.832 1.00 64.12 O ATOM 0 H GLU A 53 -8.685 0.003 12.533 1.00 22.35 H new ATOM 0 HA GLU A 53 -8.926 0.543 9.693 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.312 -1.704 10.804 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.727 -1.026 11.583 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.849 -0.703 9.482 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -10.387 -1.019 8.571 1.00 72.53 H new ATOM 873 N LYS A 54 -11.227 1.615 11.826 1.00 2.21 N ATOM 874 CA LYS A 54 -12.289 2.605 11.985 1.00 51.31 C ATOM 875 C LYS A 54 -11.714 4.018 12.081 1.00 13.10 C ATOM 876 O LYS A 54 -12.458 4.999 12.069 1.00 20.24 O ATOM 877 CB LYS A 54 -13.129 2.305 13.228 1.00 24.31 C ATOM 878 CG LYS A 54 -14.187 1.235 13.007 1.00 71.11 C ATOM 879 CD LYS A 54 -13.729 -0.122 13.517 1.00 44.52 C ATOM 880 CE LYS A 54 -14.121 -1.241 12.563 1.00 52.22 C ATOM 881 NZ LYS A 54 -13.090 -1.461 11.513 1.00 54.31 N ATOM 0 H LYS A 54 -11.056 1.039 12.650 1.00 2.21 H new ATOM 0 HA LYS A 54 -12.927 2.547 11.103 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.468 1.989 14.035 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.616 3.223 13.557 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.107 1.523 13.515 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.418 1.165 11.944 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.647 -0.116 13.647 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -14.166 -0.309 14.498 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.269 -2.163 13.126 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -15.074 -0.999 12.092 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -13.552 -1.760 10.630 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -12.568 -0.577 11.348 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -12.428 -2.200 11.826 1.00 54.31 H new ATOM 895 N LYS A 55 -10.389 4.120 12.183 1.00 43.42 N ATOM 896 CA LYS A 55 -9.731 5.416 12.286 1.00 74.11 C ATOM 897 C LYS A 55 -10.110 6.103 13.595 1.00 31.21 C ATOM 898 O LYS A 55 -10.691 7.188 13.593 1.00 5.25 O ATOM 899 CB LYS A 55 -10.103 6.305 11.097 1.00 72.23 C ATOM 900 CG LYS A 55 -10.038 5.591 9.757 1.00 12.00 C ATOM 901 CD LYS A 55 -8.722 5.856 9.046 1.00 1.15 C ATOM 902 CE LYS A 55 -8.546 4.946 7.841 1.00 24.22 C ATOM 903 NZ LYS A 55 -7.820 5.625 6.734 1.00 61.25 N ATOM 0 H LYS A 55 -9.754 3.322 12.196 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.653 5.254 12.274 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.112 6.691 11.245 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.433 7.165 11.074 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -10.161 4.519 9.909 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -10.865 5.920 9.128 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -8.684 6.897 8.726 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -7.895 5.706 9.740 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -7.999 4.051 8.139 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -9.524 4.619 7.487 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -7.721 4.971 5.931 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -8.354 6.465 6.432 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -6.877 5.914 7.063 1.00 61.25 H new ATOM 917 N LEU A 56 -9.776 5.460 14.708 1.00 30.41 N ATOM 918 CA LEU A 56 -10.078 6.004 16.026 1.00 52.41 C ATOM 919 C LEU A 56 -8.879 6.770 16.578 1.00 51.14 C ATOM 920 O LEU A 56 -7.866 6.929 15.897 1.00 44.51 O ATOM 921 CB LEU A 56 -10.471 4.871 16.977 1.00 75.54 C ATOM 922 CG LEU A 56 -11.786 4.167 16.629 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.104 3.093 17.654 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.920 5.178 16.543 1.00 14.14 C ATOM 0 H LEU A 56 -9.295 4.560 14.724 1.00 30.41 H new ATOM 0 HA LEU A 56 -10.914 6.698 15.937 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.671 4.131 16.988 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.547 5.273 17.987 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.675 3.688 15.656 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -13.042 2.604 17.390 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.302 2.355 17.669 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.197 3.548 18.640 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.848 4.663 16.295 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.030 5.683 17.502 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.695 5.913 15.770 1.00 14.14 H new ATOM 936 N ASN A 57 -8.997 7.242 17.814 1.00 32.03 N ATOM 937 CA ASN A 57 -7.924 7.991 18.455 1.00 20.43 C ATOM 938 C ASN A 57 -7.991 7.838 19.971 1.00 1.23 C ATOM 939 O ASN A 57 -8.861 8.416 20.623 1.00 1.02 O ATOM 940 CB ASN A 57 -8.010 9.472 18.078 1.00 15.31 C ATOM 941 CG ASN A 57 -6.644 10.101 17.883 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.213 10.939 18.677 1.00 54.21 O ATOM 943 ND2 ASN A 57 -5.956 9.702 16.819 1.00 70.12 N ATOM 0 H ASN A 57 -9.828 7.118 18.393 1.00 32.03 H new ATOM 0 HA ASN A 57 -6.973 7.589 18.105 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -8.589 9.577 17.161 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.547 10.012 18.858 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.032 10.092 16.633 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -6.352 9.005 16.188 1.00 70.12 H new ATOM 950 N MET A 58 -7.071 7.054 20.524 1.00 5.10 N ATOM 951 CA MET A 58 -7.026 6.820 21.965 1.00 4.22 C ATOM 952 C MET A 58 -6.781 8.113 22.740 1.00 4.32 C ATOM 953 O MET A 58 -6.923 8.146 23.963 1.00 31.45 O ATOM 954 CB MET A 58 -5.939 5.799 22.307 1.00 30.22 C ATOM 955 CG MET A 58 -4.620 6.039 21.588 1.00 34.55 C ATOM 956 SD MET A 58 -4.099 4.626 20.595 1.00 24.45 S ATOM 957 CE MET A 58 -5.513 4.432 19.516 1.00 24.34 C ATOM 0 H MET A 58 -6.345 6.569 19.996 1.00 5.10 H new ATOM 0 HA MET A 58 -7.999 6.427 22.261 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.764 5.816 23.383 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.301 4.801 22.059 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.716 6.914 20.945 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.847 6.266 22.322 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.424 3.496 18.965 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.426 4.417 20.112 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.551 5.264 18.813 1.00 24.34 H new ATOM 967 N MET A 59 -6.415 9.177 22.032 1.00 1.01 N ATOM 968 CA MET A 59 -6.157 10.460 22.672 1.00 74.53 C ATOM 969 C MET A 59 -7.466 11.184 22.976 1.00 71.54 C ATOM 970 O MET A 59 -7.512 12.068 23.832 1.00 44.32 O ATOM 971 CB MET A 59 -5.272 11.329 21.773 1.00 2.02 C ATOM 972 CG MET A 59 -4.027 11.853 22.468 1.00 24.22 C ATOM 973 SD MET A 59 -3.260 13.223 21.580 1.00 11.43 S ATOM 974 CE MET A 59 -1.615 12.568 21.301 1.00 3.04 C ATOM 0 H MET A 59 -6.291 9.176 21.020 1.00 1.01 H new ATOM 0 HA MET A 59 -5.637 10.277 23.613 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.973 10.748 20.901 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.857 12.173 21.409 1.00 2.02 H new ATOM 0 HG2 MET A 59 -4.288 12.178 23.475 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.305 11.043 22.572 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.018 13.302 20.760 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.143 12.351 22.259 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.683 11.652 20.714 1.00 3.04 H new ATOM 984 N ASN A 60 -8.528 10.797 22.276 1.00 72.24 N ATOM 985 CA ASN A 60 -9.839 11.402 22.476 1.00 13.25 C ATOM 986 C ASN A 60 -10.749 10.462 23.263 1.00 2.34 C ATOM 987 O ASN A 60 -10.848 9.275 22.952 1.00 73.54 O ATOM 988 CB ASN A 60 -10.476 11.740 21.125 1.00 54.23 C ATOM 989 CG ASN A 60 -10.745 13.223 20.965 1.00 60.15 C ATOM 990 OD1 ASN A 60 -9.883 14.056 21.245 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.946 13.558 20.511 1.00 43.22 N ATOM 0 H ASN A 60 -8.505 10.066 21.565 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.711 12.321 23.048 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.819 11.405 20.323 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.412 11.191 21.021 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.186 14.541 20.381 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.629 12.833 20.292 1.00 43.22 H new ATOM 998 N ALA A 61 -11.406 10.997 24.286 1.00 10.14 N ATOM 999 CA ALA A 61 -12.304 10.203 25.116 1.00 75.00 C ATOM 1000 C ALA A 61 -13.479 9.669 24.302 1.00 54.22 C ATOM 1001 O ALA A 61 -14.019 8.604 24.601 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.807 11.032 26.289 1.00 34.33 C ATOM 0 H ALA A 61 -11.334 11.977 24.560 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.745 9.350 25.499 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.477 10.428 26.901 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -11.961 11.360 26.892 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.345 11.903 25.915 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.869 10.414 23.273 1.00 55.43 N ATOM 1009 CA GLU A 62 -14.981 10.012 22.420 1.00 72.21 C ATOM 1010 C GLU A 62 -14.647 8.736 21.658 1.00 14.54 C ATOM 1011 O GLU A 62 -15.513 7.893 21.429 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.330 11.129 21.436 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.825 11.330 21.255 1.00 22.12 C ATOM 1014 CD GLU A 62 -17.324 12.607 21.902 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -17.625 12.579 23.113 1.00 50.21 O ATOM 1016 OE2 GLU A 62 -17.412 13.635 21.197 1.00 1.12 O ATOM 0 H GLU A 62 -13.432 11.298 23.010 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.843 9.819 23.059 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.885 12.061 21.784 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.882 10.904 20.468 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -17.059 11.351 20.191 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.357 10.479 21.681 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.386 8.598 21.267 1.00 50.11 N ATOM 1024 CA HIS A 63 -12.945 7.421 20.535 1.00 60.41 C ATOM 1025 C HIS A 63 -12.584 6.295 21.493 1.00 12.50 C ATOM 1026 O HIS A 63 -12.824 5.122 21.206 1.00 40.22 O ATOM 1027 CB HIS A 63 -11.745 7.754 19.651 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.111 8.457 18.383 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.179 8.891 17.465 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.319 8.801 17.878 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.795 9.470 16.451 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.094 9.429 16.677 1.00 33.54 N ATOM 0 H HIS A 63 -12.654 9.285 21.445 1.00 50.11 H new ATOM 0 HA HIS A 63 -13.769 7.092 19.901 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.051 8.378 20.215 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.218 6.832 19.406 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.280 8.616 18.334 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.317 9.903 15.585 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.815 9.803 16.060 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.006 6.658 22.634 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.617 5.669 23.632 1.00 25.03 C ATOM 1042 C ARG A 64 -12.827 4.850 24.069 1.00 71.40 C ATOM 1043 O ARG A 64 -12.747 3.630 24.210 1.00 61.24 O ATOM 1044 CB ARG A 64 -10.985 6.351 24.848 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.006 5.463 25.601 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.612 5.544 25.002 1.00 61.24 C ATOM 1047 NE ARG A 64 -7.834 4.327 25.246 1.00 14.00 N ATOM 1048 CZ ARG A 64 -8.084 3.156 24.661 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -9.087 3.036 23.802 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -7.327 2.102 24.935 1.00 33.54 N ATOM 0 H ARG A 64 -11.798 7.623 22.889 1.00 13.31 H new ATOM 0 HA ARG A 64 -10.882 5.002 23.182 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.468 7.253 24.521 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -11.775 6.666 25.529 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -9.972 5.763 26.648 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.355 4.431 25.576 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -8.689 5.715 23.928 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.086 6.400 25.424 1.00 61.24 H new ATOM 0 HE ARG A 64 -7.055 4.379 25.902 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -9.672 3.843 23.586 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -9.273 2.137 23.358 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -6.553 2.187 25.594 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -7.519 1.206 24.487 1.00 33.54 H new ATOM 1064 N LYS A 65 -13.947 5.534 24.268 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.181 4.880 24.677 1.00 31.33 C ATOM 1066 C LYS A 65 -15.723 3.996 23.556 1.00 61.24 C ATOM 1067 O LYS A 65 -16.555 3.121 23.791 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.227 5.916 25.099 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.666 6.838 23.973 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.147 6.678 23.665 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.494 7.243 22.298 1.00 42.14 C ATOM 1072 NZ LYS A 65 -18.980 8.647 22.383 1.00 60.30 N ATOM 0 H LYS A 65 -14.025 6.544 24.152 1.00 13.21 H new ATOM 0 HA LYS A 65 -14.961 4.245 25.535 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.101 5.397 25.493 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -15.821 6.518 25.912 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.460 7.873 24.248 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.082 6.624 23.078 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.416 5.622 23.703 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.736 7.185 24.430 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -17.615 7.202 21.655 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -19.259 6.622 21.832 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -18.996 9.067 21.432 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -19.940 8.658 22.783 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -18.344 9.198 22.994 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.248 4.216 22.333 1.00 15.23 N ATOM 1087 CA LEU A 66 -15.696 3.411 21.207 1.00 65.44 C ATOM 1088 C LEU A 66 -15.192 1.980 21.358 1.00 64.34 C ATOM 1089 O LEU A 66 -15.941 1.026 21.151 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.221 4.008 19.881 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.222 3.866 18.729 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -16.521 5.221 18.104 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -15.701 2.892 17.682 1.00 64.02 C ATOM 0 H LEU A 66 -14.563 4.935 22.101 1.00 15.23 H new ATOM 0 HA LEU A 66 -16.786 3.405 21.200 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.004 5.066 20.030 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.285 3.528 19.595 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.152 3.467 19.133 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -17.234 5.096 17.289 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -16.945 5.884 18.858 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -15.599 5.655 17.717 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.426 2.805 16.873 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -14.755 3.258 17.284 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.548 1.914 18.139 1.00 64.02 H new ATOM 1105 N LEU A 67 -13.923 1.834 21.743 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.345 0.508 21.942 1.00 22.20 C ATOM 1107 C LEU A 67 -14.084 -0.208 23.060 1.00 1.33 C ATOM 1108 O LEU A 67 -14.488 -1.362 22.915 1.00 4.11 O ATOM 1109 CB LEU A 67 -11.853 0.601 22.278 1.00 1.32 C ATOM 1110 CG LEU A 67 -10.908 0.333 21.106 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -11.109 -1.072 20.553 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.129 1.365 20.020 1.00 25.32 C ATOM 0 H LEU A 67 -13.284 2.609 21.921 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.449 -0.056 21.015 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.646 1.596 22.672 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.630 -0.109 23.074 1.00 1.32 H new ATOM 0 HG LEU A 67 -9.882 0.408 21.465 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -10.425 -1.237 19.721 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -10.910 -1.803 21.336 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -12.136 -1.183 20.206 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.453 1.168 19.188 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -12.160 1.310 19.670 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -10.934 2.360 20.419 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.275 0.495 24.173 1.00 45.01 N ATOM 1125 CA GLU A 68 -14.987 -0.066 25.308 1.00 31.11 C ATOM 1126 C GLU A 68 -16.415 -0.426 24.902 1.00 33.44 C ATOM 1127 O GLU A 68 -17.056 -1.270 25.526 1.00 63.34 O ATOM 1128 CB GLU A 68 -14.980 0.922 26.485 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.092 1.956 26.447 1.00 52.31 C ATOM 1130 CD GLU A 68 -15.961 2.989 27.549 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -14.828 3.457 27.793 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -16.990 3.331 28.169 1.00 60.33 O ATOM 0 H GLU A 68 -13.946 1.451 24.309 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.482 -0.976 25.631 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -15.056 0.359 27.415 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -14.021 1.439 26.503 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -16.084 2.458 25.480 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -17.055 1.453 26.537 1.00 52.31 H new ATOM 1139 N GLN A 69 -16.894 0.213 23.835 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.232 -0.042 23.323 1.00 31.33 C ATOM 1141 C GLN A 69 -18.259 -1.358 22.557 1.00 54.04 C ATOM 1142 O GLN A 69 -19.135 -2.197 22.766 1.00 73.31 O ATOM 1143 CB GLN A 69 -18.677 1.102 22.407 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.175 1.124 22.146 1.00 52.05 C ATOM 1145 CD GLN A 69 -20.978 1.488 23.379 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.356 2.645 23.568 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.243 0.499 24.225 1.00 70.13 N ATOM 0 H GLN A 69 -16.370 0.913 23.310 1.00 45.54 H new ATOM 0 HA GLN A 69 -18.920 -0.107 24.166 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.380 2.051 22.854 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.152 1.020 21.455 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.391 1.839 21.352 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.492 0.145 21.787 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.909 -0.444 24.027 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -21.780 0.683 25.072 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.283 -1.534 21.672 1.00 3.11 N ATOM 1157 CA GLU A 70 -17.180 -2.748 20.875 1.00 33.15 C ATOM 1158 C GLU A 70 -16.717 -3.918 21.735 1.00 4.01 C ATOM 1159 O GLU A 70 -17.180 -5.047 21.564 1.00 44.01 O ATOM 1160 CB GLU A 70 -16.217 -2.537 19.707 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.810 -1.714 18.574 1.00 12.23 C ATOM 1162 CD GLU A 70 -17.521 -2.567 17.544 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -16.958 -3.605 17.141 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -18.645 -2.200 17.142 1.00 42.42 O ATOM 0 H GLU A 70 -16.551 -0.848 21.489 1.00 3.11 H new ATOM 0 HA GLU A 70 -18.168 -2.982 20.477 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -15.317 -2.042 20.073 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.911 -3.508 19.319 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.511 -0.988 18.986 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -16.016 -1.149 18.086 1.00 12.23 H new ATOM 1171 N MET A 71 -15.801 -3.643 22.663 1.00 72.11 N ATOM 1172 CA MET A 71 -15.279 -4.681 23.551 1.00 42.11 C ATOM 1173 C MET A 71 -16.416 -5.514 24.144 1.00 0.22 C ATOM 1174 O MET A 71 -16.302 -6.733 24.269 1.00 15.12 O ATOM 1175 CB MET A 71 -14.416 -4.053 24.660 1.00 44.14 C ATOM 1176 CG MET A 71 -14.986 -4.160 26.070 1.00 2.34 C ATOM 1177 SD MET A 71 -13.785 -3.681 27.327 1.00 23.31 S ATOM 1178 CE MET A 71 -14.617 -2.291 28.091 1.00 23.35 C ATOM 0 H MET A 71 -15.407 -2.715 22.819 1.00 72.11 H new ATOM 0 HA MET A 71 -14.648 -5.350 22.966 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.435 -4.527 24.646 1.00 44.14 H new ATOM 0 HB3 MET A 71 -14.264 -2.999 24.426 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.869 -3.526 26.153 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.311 -5.184 26.252 1.00 2.34 H new ATOM 0 HE1 MET A 71 -14.482 -2.335 29.172 1.00 23.35 H new ATOM 0 HE2 MET A 71 -14.195 -1.361 27.711 1.00 23.35 H new ATOM 0 HE3 MET A 71 -15.681 -2.330 27.856 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.515 -4.853 24.496 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.666 -5.545 25.060 1.00 11.44 C ATOM 1190 C VAL A 72 -19.171 -6.608 24.095 1.00 55.10 C ATOM 1191 O VAL A 72 -19.234 -7.788 24.427 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.818 -4.571 25.383 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -21.045 -5.317 25.901 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.362 -3.534 26.390 1.00 54.21 C ATOM 0 H VAL A 72 -17.631 -3.844 24.401 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.336 -6.011 25.988 1.00 11.44 H new ATOM 0 HB VAL A 72 -20.101 -4.065 24.460 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.839 -4.603 26.120 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.389 -6.022 25.144 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.784 -5.859 26.810 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.185 -2.853 26.609 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -19.048 -4.031 27.308 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.525 -2.971 25.978 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.527 -6.175 22.891 1.00 64.34 N ATOM 1205 CA ASN A 73 -20.027 -7.082 21.862 1.00 33.53 C ATOM 1206 C ASN A 73 -19.093 -8.273 21.665 1.00 45.13 C ATOM 1207 O ASN A 73 -19.500 -9.309 21.135 1.00 11.01 O ATOM 1208 CB ASN A 73 -20.202 -6.340 20.535 1.00 64.34 C ATOM 1209 CG ASN A 73 -21.321 -6.920 19.693 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.263 -8.076 19.276 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -22.349 -6.118 19.439 1.00 43.31 N ATOM 0 H ASN A 73 -19.479 -5.198 22.602 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.994 -7.457 22.197 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.408 -5.288 20.734 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -19.269 -6.381 19.973 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -23.132 -6.454 18.878 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -22.356 -5.166 19.805 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.838 -8.125 22.080 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.865 -9.199 21.933 1.00 43.41 C ATOM 1220 C PHE A 74 -16.747 -10.036 23.207 1.00 53.44 C ATOM 1221 O PHE A 74 -16.781 -11.265 23.153 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.498 -8.636 21.554 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.576 -9.668 20.972 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.757 -10.123 19.676 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -13.532 -10.188 21.722 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -13.915 -11.075 19.137 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -12.687 -11.142 21.189 1.00 32.35 C ATOM 1228 CZ PHE A 74 -12.878 -11.586 19.894 1.00 14.42 C ATOM 0 H PHE A 74 -17.474 -7.278 22.517 1.00 74.22 H new ATOM 0 HA PHE A 74 -17.220 -9.850 21.134 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.631 -7.829 20.833 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -15.033 -8.200 22.438 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -15.567 -9.728 19.080 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -13.378 -9.843 22.734 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -14.067 -11.420 18.125 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -11.878 -11.540 21.783 1.00 32.35 H new ATOM 0 HZ PHE A 74 -12.218 -12.331 19.475 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.581 -9.369 24.346 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.425 -10.065 25.622 1.00 13.42 C ATOM 1240 C LEU A 75 -17.709 -10.050 26.453 1.00 31.53 C ATOM 1241 O LEU A 75 -18.111 -11.074 27.007 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.289 -9.433 26.427 1.00 43.21 C ATOM 1243 CG LEU A 75 -14.064 -9.011 25.603 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.708 -7.555 25.873 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.877 -9.919 25.901 1.00 74.13 C ATOM 0 H LEU A 75 -16.551 -8.352 24.413 1.00 52.12 H new ATOM 0 HA LEU A 75 -16.190 -11.105 25.394 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.677 -8.557 26.948 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.968 -10.141 27.191 1.00 43.21 H new ATOM 0 HG LEU A 75 -14.314 -9.110 24.547 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.837 -7.277 25.279 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -14.550 -6.918 25.602 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -13.481 -7.426 26.931 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -12.019 -9.603 25.307 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.628 -9.856 26.960 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -13.134 -10.948 25.649 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.332 -8.883 26.552 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.556 -8.725 27.334 1.00 61.03 C ATOM 1259 C PHE A 76 -20.798 -8.809 26.469 1.00 53.21 C ATOM 1260 O PHE A 76 -21.824 -8.202 26.777 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.543 -7.395 28.046 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.377 -7.245 28.963 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -18.198 -8.131 30.010 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.450 -6.236 28.771 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -17.116 -8.015 30.852 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.366 -6.113 29.614 1.00 14.30 C ATOM 1267 CZ PHE A 76 -16.200 -7.005 30.654 1.00 10.35 C ATOM 0 H PHE A 76 -18.010 -8.028 26.099 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.587 -9.542 28.055 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.526 -6.593 27.308 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.465 -7.284 28.616 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.915 -8.923 30.168 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.576 -5.540 27.955 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -16.985 -8.713 31.665 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.648 -5.320 29.461 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.350 -6.911 31.314 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.692 -9.549 25.389 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.791 -9.727 24.447 1.00 1.24 C ATOM 1279 C GLU A 77 -22.945 -10.498 25.086 1.00 64.35 C ATOM 1280 O GLU A 77 -23.451 -11.470 24.526 1.00 22.34 O ATOM 1281 CB GLU A 77 -21.295 -10.469 23.206 1.00 71.23 C ATOM 1282 CG GLU A 77 -22.207 -10.326 21.998 1.00 55.43 C ATOM 1283 CD GLU A 77 -22.972 -11.599 21.690 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -22.508 -12.686 22.096 1.00 31.00 O ATOM 1285 OE2 GLU A 77 -24.036 -11.509 21.042 1.00 30.04 O ATOM 0 H GLU A 77 -19.841 -10.049 25.132 1.00 54.11 H new ATOM 0 HA GLU A 77 -22.158 -8.741 24.160 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -20.303 -10.100 22.946 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -21.188 -11.527 23.445 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.914 -9.516 22.175 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.612 -10.045 21.129 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.353 -10.049 26.265 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.438 -10.681 26.981 1.00 62.55 C ATOM 1294 C GLY A 78 -25.228 -9.670 27.782 1.00 72.21 C ATOM 1295 O GLY A 78 -26.449 -9.770 27.896 1.00 64.15 O ATOM 0 H GLY A 78 -22.943 -9.246 26.742 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -25.098 -11.185 26.275 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -24.040 -11.446 27.648 1.00 62.55 H new ATOM 1299 N LYS A 79 -24.524 -8.682 28.327 1.00 32.33 N ATOM 1300 CA LYS A 79 -25.157 -7.629 29.112 1.00 32.52 C ATOM 1301 C LYS A 79 -24.665 -6.259 28.653 1.00 51.14 C ATOM 1302 O LYS A 79 -23.995 -5.543 29.399 1.00 73.20 O ATOM 1303 CB LYS A 79 -24.870 -7.821 30.602 1.00 2.30 C ATOM 1304 CG LYS A 79 -25.832 -8.780 31.288 1.00 54.35 C ATOM 1305 CD LYS A 79 -27.259 -8.253 31.268 1.00 61.23 C ATOM 1306 CE LYS A 79 -28.183 -9.165 30.475 1.00 14.24 C ATOM 1307 NZ LYS A 79 -29.514 -9.319 31.128 1.00 33.31 N ATOM 0 H LYS A 79 -23.512 -8.589 28.238 1.00 32.33 H new ATOM 0 HA LYS A 79 -26.235 -7.686 28.958 1.00 32.52 H new ATOM 0 HB2 LYS A 79 -23.852 -8.192 30.723 1.00 2.30 H new ATOM 0 HB3 LYS A 79 -24.918 -6.853 31.101 1.00 2.30 H new ATOM 0 HG2 LYS A 79 -25.795 -9.750 30.792 1.00 54.35 H new ATOM 0 HG3 LYS A 79 -25.516 -8.937 32.319 1.00 54.35 H new ATOM 0 HD2 LYS A 79 -27.627 -8.161 32.290 1.00 61.23 H new ATOM 0 HD3 LYS A 79 -27.272 -7.254 30.833 1.00 61.23 H new ATOM 0 HE2 LYS A 79 -28.317 -8.761 29.471 1.00 14.24 H new ATOM 0 HE3 LYS A 79 -27.718 -10.145 30.365 1.00 14.24 H new ATOM 0 HZ1 LYS A 79 -30.111 -9.948 30.554 1.00 33.31 H new ATOM 0 HZ2 LYS A 79 -29.390 -9.729 32.076 1.00 33.31 H new ATOM 0 HZ3 LYS A 79 -29.970 -8.388 31.210 1.00 33.31 H new ATOM 1321 N GLU A 80 -25.001 -5.905 27.416 1.00 54.33 N ATOM 1322 CA GLU A 80 -24.596 -4.625 26.841 1.00 42.52 C ATOM 1323 C GLU A 80 -24.999 -3.458 27.737 1.00 1.35 C ATOM 1324 O GLU A 80 -24.406 -2.382 27.674 1.00 50.30 O ATOM 1325 CB GLU A 80 -25.211 -4.449 25.451 1.00 72.03 C ATOM 1326 CG GLU A 80 -25.085 -5.681 24.571 1.00 31.34 C ATOM 1327 CD GLU A 80 -24.841 -5.334 23.116 1.00 54.44 C ATOM 1328 OE1 GLU A 80 -23.678 -5.047 22.761 1.00 51.11 O ATOM 1329 OE2 GLU A 80 -25.813 -5.351 22.330 1.00 30.25 O ATOM 0 H GLU A 80 -25.555 -6.489 26.790 1.00 54.33 H new ATOM 0 HA GLU A 80 -23.509 -4.629 26.757 1.00 42.52 H new ATOM 0 HB2 GLU A 80 -26.266 -4.196 25.559 1.00 72.03 H new ATOM 0 HB3 GLU A 80 -24.730 -3.607 24.954 1.00 72.03 H new ATOM 0 HG2 GLU A 80 -24.266 -6.301 24.935 1.00 31.34 H new ATOM 0 HG3 GLU A 80 -25.995 -6.275 24.651 1.00 31.34 H new ATOM 1336 N VAL A 81 -26.007 -3.678 28.570 1.00 1.11 N ATOM 1337 CA VAL A 81 -26.486 -2.651 29.476 1.00 33.02 C ATOM 1338 C VAL A 81 -25.530 -2.472 30.650 1.00 43.32 C ATOM 1339 O VAL A 81 -25.435 -3.332 31.526 1.00 70.23 O ATOM 1340 CB VAL A 81 -27.892 -2.993 30.004 1.00 62.31 C ATOM 1341 CG1 VAL A 81 -27.878 -4.295 30.789 1.00 44.42 C ATOM 1342 CG2 VAL A 81 -28.430 -1.858 30.852 1.00 2.11 C ATOM 0 H VAL A 81 -26.509 -4.564 28.635 1.00 1.11 H new ATOM 0 HA VAL A 81 -26.537 -1.718 28.915 1.00 33.02 H new ATOM 0 HB VAL A 81 -28.554 -3.127 29.148 1.00 62.31 H new ATOM 0 HG11 VAL A 81 -28.883 -4.513 31.150 1.00 44.42 H new ATOM 0 HG12 VAL A 81 -27.541 -5.106 30.143 1.00 44.42 H new ATOM 0 HG13 VAL A 81 -27.200 -4.201 31.637 1.00 44.42 H new ATOM 0 HG21 VAL A 81 -29.424 -2.116 31.217 1.00 2.11 H new ATOM 0 HG22 VAL A 81 -27.765 -1.690 31.699 1.00 2.11 H new ATOM 0 HG23 VAL A 81 -28.489 -0.951 30.251 1.00 2.11 H new ATOM 1352 N HIS A 82 -24.815 -1.350 30.658 1.00 1.34 N ATOM 1353 CA HIS A 82 -23.860 -1.061 31.721 1.00 24.43 C ATOM 1354 C HIS A 82 -24.240 0.211 32.476 1.00 41.42 C ATOM 1355 O HIS A 82 -24.870 1.111 31.922 1.00 1.31 O ATOM 1356 CB HIS A 82 -22.445 -0.934 31.147 1.00 12.43 C ATOM 1357 CG HIS A 82 -22.281 0.181 30.158 1.00 72.21 C ATOM 1358 ND1 HIS A 82 -21.067 0.506 29.592 1.00 25.14 N ATOM 1359 CD2 HIS A 82 -23.180 1.050 29.633 1.00 64.43 C ATOM 1360 CE1 HIS A 82 -21.222 1.521 28.763 1.00 2.20 C ATOM 1361 NE2 HIS A 82 -22.495 1.869 28.769 1.00 45.11 N ATOM 0 H HIS A 82 -24.880 -0.628 29.941 1.00 1.34 H new ATOM 0 HA HIS A 82 -23.883 -1.892 32.426 1.00 24.43 H new ATOM 0 HB2 HIS A 82 -21.744 -0.783 31.968 1.00 12.43 H new ATOM 0 HB3 HIS A 82 -22.174 -1.874 30.666 1.00 12.43 H new ATOM 0 HD2 HIS A 82 -24.237 1.090 29.853 1.00 64.43 H new ATOM 0 HE1 HIS A 82 -20.441 1.987 28.180 1.00 2.20 H new ATOM 0 HE2 HIS A 82 -22.904 2.625 28.220 1.00 45.11 H new ATOM 1369 N ILE A 83 -23.856 0.273 33.747 1.00 41.44 N ATOM 1370 CA ILE A 83 -24.155 1.430 34.583 1.00 51.00 C ATOM 1371 C ILE A 83 -22.933 1.846 35.399 1.00 64.22 C ATOM 1372 O ILE A 83 -22.166 1.001 35.856 1.00 51.35 O ATOM 1373 CB ILE A 83 -25.328 1.147 35.545 1.00 32.41 C ATOM 1374 CG1 ILE A 83 -26.545 0.628 34.775 1.00 3.23 C ATOM 1375 CG2 ILE A 83 -25.686 2.403 36.325 1.00 53.41 C ATOM 1376 CD1 ILE A 83 -27.388 -0.350 35.565 1.00 15.41 C ATOM 0 H ILE A 83 -23.336 -0.466 34.221 1.00 41.44 H new ATOM 0 HA ILE A 83 -24.437 2.240 33.911 1.00 51.00 H new ATOM 0 HB ILE A 83 -25.017 0.377 36.251 1.00 32.41 H new ATOM 0 HG12 ILE A 83 -27.166 1.474 34.479 1.00 3.23 H new ATOM 0 HG13 ILE A 83 -26.206 0.145 33.858 1.00 3.23 H new ATOM 0 HG21 ILE A 83 -26.515 2.189 37.000 1.00 53.41 H new ATOM 0 HG22 ILE A 83 -24.822 2.730 36.904 1.00 53.41 H new ATOM 0 HG23 ILE A 83 -25.978 3.191 35.631 1.00 53.41 H new ATOM 0 HD11 ILE A 83 -28.232 -0.676 34.958 1.00 15.41 H new ATOM 0 HD12 ILE A 83 -26.783 -1.214 35.838 1.00 15.41 H new ATOM 0 HD13 ILE A 83 -27.757 0.135 36.469 1.00 15.41 H new ATOM 1388 N GLU A 84 -22.760 3.153 35.576 1.00 1.31 N ATOM 1389 CA GLU A 84 -21.630 3.677 36.338 1.00 55.30 C ATOM 1390 C GLU A 84 -22.096 4.395 37.599 1.00 43.44 C ATOM 1391 O GLU A 84 -23.165 5.007 37.621 1.00 20.11 O ATOM 1392 CB GLU A 84 -20.800 4.627 35.473 1.00 43.15 C ATOM 1393 CG GLU A 84 -20.028 3.925 34.368 1.00 21.54 C ATOM 1394 CD GLU A 84 -18.623 3.537 34.791 1.00 12.54 C ATOM 1395 OE1 GLU A 84 -18.325 3.612 36.001 1.00 0.44 O ATOM 1396 OE2 GLU A 84 -17.822 3.159 33.910 1.00 44.45 O ATOM 0 H GLU A 84 -23.386 3.867 35.203 1.00 1.31 H new ATOM 0 HA GLU A 84 -21.011 2.831 36.638 1.00 55.30 H new ATOM 0 HB2 GLU A 84 -21.461 5.370 35.027 1.00 43.15 H new ATOM 0 HB3 GLU A 84 -20.098 5.165 36.110 1.00 43.15 H new ATOM 0 HG2 GLU A 84 -20.571 3.031 34.063 1.00 21.54 H new ATOM 0 HG3 GLU A 84 -19.974 4.578 33.497 1.00 21.54 H new ATOM 1403 N GLY A 85 -21.284 4.315 38.650 1.00 74.03 N ATOM 1404 CA GLY A 85 -21.625 4.961 39.904 1.00 44.45 C ATOM 1405 C GLY A 85 -22.295 4.012 40.877 1.00 62.51 C ATOM 1406 O GLY A 85 -22.139 4.147 42.091 1.00 51.43 O ATOM 0 H GLY A 85 -20.396 3.814 38.655 1.00 74.03 H new ATOM 0 HA2 GLY A 85 -20.721 5.366 40.359 1.00 44.45 H new ATOM 0 HA3 GLY A 85 -22.288 5.804 39.707 1.00 44.45 H new ATOM 1410 N TYR A 86 -23.043 3.051 40.344 1.00 23.45 N ATOM 1411 CA TYR A 86 -23.741 2.079 41.175 1.00 62.13 C ATOM 1412 C TYR A 86 -22.755 1.234 41.972 1.00 32.32 C ATOM 1413 O TYR A 86 -22.059 0.385 41.417 1.00 34.34 O ATOM 1414 CB TYR A 86 -24.622 1.175 40.314 1.00 13.40 C ATOM 1415 CG TYR A 86 -25.900 0.748 41.000 1.00 33.51 C ATOM 1416 CD1 TYR A 86 -25.895 -0.252 41.963 1.00 70.14 C ATOM 1417 CD2 TYR A 86 -27.112 1.348 40.683 1.00 12.00 C ATOM 1418 CE1 TYR A 86 -27.061 -0.645 42.590 1.00 4.42 C ATOM 1419 CE2 TYR A 86 -28.283 0.960 41.307 1.00 22.22 C ATOM 1420 CZ TYR A 86 -28.252 -0.036 42.259 1.00 21.22 C ATOM 1421 OH TYR A 86 -29.418 -0.425 42.881 1.00 42.32 O ATOM 0 H TYR A 86 -23.181 2.925 39.341 1.00 23.45 H new ATOM 0 HA TYR A 86 -24.371 2.628 41.875 1.00 62.13 H new ATOM 0 HB2 TYR A 86 -24.872 1.697 39.390 1.00 13.40 H new ATOM 0 HB3 TYR A 86 -24.055 0.287 40.035 1.00 13.40 H new ATOM 0 HD1 TYR A 86 -24.963 -0.731 42.226 1.00 70.14 H new ATOM 0 HD2 TYR A 86 -27.140 2.129 39.938 1.00 12.00 H new ATOM 0 HE1 TYR A 86 -27.040 -1.426 43.336 1.00 4.42 H new ATOM 0 HE2 TYR A 86 -29.218 1.435 41.050 1.00 22.22 H new ATOM 0 HH TYR A 86 -30.166 0.104 42.534 1.00 42.32 H new ATOM 1431 N THR A 87 -22.707 1.472 43.277 1.00 34.54 N ATOM 1432 CA THR A 87 -21.813 0.733 44.154 1.00 13.52 C ATOM 1433 C THR A 87 -22.610 -0.096 45.160 1.00 71.31 C ATOM 1434 O THR A 87 -23.159 0.444 46.119 1.00 14.22 O ATOM 1435 CB THR A 87 -20.883 1.694 44.898 1.00 53.41 C ATOM 1436 OG1 THR A 87 -21.524 2.937 45.125 1.00 61.40 O ATOM 1437 CG2 THR A 87 -19.591 1.972 44.160 1.00 74.10 C ATOM 0 H THR A 87 -23.278 2.172 43.750 1.00 34.54 H new ATOM 0 HA THR A 87 -21.214 0.060 43.540 1.00 13.52 H new ATOM 0 HB THR A 87 -20.645 1.194 45.837 1.00 53.41 H new ATOM 0 HG1 THR A 87 -20.914 3.537 45.603 1.00 61.40 H new ATOM 0 HG21 THR A 87 -18.979 2.660 44.744 1.00 74.10 H new ATOM 0 HG22 THR A 87 -19.048 1.039 44.014 1.00 74.10 H new ATOM 0 HG23 THR A 87 -19.814 2.418 43.191 1.00 74.10 H new ATOM 1445 N PRO A 88 -22.685 -1.424 44.955 1.00 52.40 N ATOM 1446 CA PRO A 88 -23.423 -2.318 45.856 1.00 15.22 C ATOM 1447 C PRO A 88 -22.706 -2.545 47.187 1.00 14.22 C ATOM 1448 O PRO A 88 -22.942 -3.546 47.863 1.00 24.20 O ATOM 1449 CB PRO A 88 -23.501 -3.626 45.066 1.00 70.12 C ATOM 1450 CG PRO A 88 -22.310 -3.602 44.173 1.00 61.15 C ATOM 1451 CD PRO A 88 -22.067 -2.156 43.833 1.00 62.05 C ATOM 0 HA PRO A 88 -24.393 -1.902 46.129 1.00 15.22 H new ATOM 0 HB2 PRO A 88 -23.481 -4.491 45.729 1.00 70.12 H new ATOM 0 HB3 PRO A 88 -24.425 -3.687 44.491 1.00 70.12 H new ATOM 0 HG2 PRO A 88 -21.442 -4.036 44.670 1.00 61.15 H new ATOM 0 HG3 PRO A 88 -22.488 -4.189 43.272 1.00 61.15 H new ATOM 0 HD2 PRO A 88 -21.002 -1.938 43.750 1.00 62.05 H new ATOM 0 HD3 PRO A 88 -22.522 -1.887 42.880 1.00 62.05 H new ATOM 1459 N GLU A 89 -21.834 -1.611 47.562 1.00 42.21 N ATOM 1460 CA GLU A 89 -21.094 -1.713 48.813 1.00 12.41 C ATOM 1461 C GLU A 89 -22.015 -1.486 50.005 1.00 22.14 C ATOM 1462 O GLU A 89 -21.837 -2.084 51.066 1.00 73.11 O ATOM 1463 CB GLU A 89 -19.955 -0.694 48.834 1.00 52.44 C ATOM 1464 CG GLU A 89 -18.685 -1.209 49.489 1.00 54.22 C ATOM 1465 CD GLU A 89 -17.557 -0.199 49.439 1.00 4.33 C ATOM 1466 OE1 GLU A 89 -17.592 0.686 48.559 1.00 31.15 O ATOM 1467 OE2 GLU A 89 -16.640 -0.291 50.281 1.00 40.40 O ATOM 0 H GLU A 89 -21.624 -0.776 47.015 1.00 42.21 H new ATOM 0 HA GLU A 89 -20.677 -2.718 48.884 1.00 12.41 H new ATOM 0 HB2 GLU A 89 -19.729 -0.394 47.811 1.00 52.44 H new ATOM 0 HB3 GLU A 89 -20.289 0.199 49.362 1.00 52.44 H new ATOM 0 HG2 GLU A 89 -18.894 -1.465 50.528 1.00 54.22 H new ATOM 0 HG3 GLU A 89 -18.370 -2.126 48.992 1.00 54.22 H new ATOM 1474 N ASP A 90 -22.999 -0.611 49.822 1.00 50.34 N ATOM 1475 CA ASP A 90 -23.953 -0.297 50.879 1.00 5.33 C ATOM 1476 C ASP A 90 -24.829 -1.503 51.203 1.00 42.23 C ATOM 1477 O ASP A 90 -25.348 -1.624 52.314 1.00 5.20 O ATOM 1478 CB ASP A 90 -24.825 0.890 50.462 1.00 31.34 C ATOM 1479 CG ASP A 90 -25.369 1.658 51.652 1.00 74.42 C ATOM 1480 OD1 ASP A 90 -26.201 1.095 52.393 1.00 45.10 O ATOM 1481 OD2 ASP A 90 -24.962 2.825 51.840 1.00 62.52 O ATOM 0 H ASP A 90 -23.156 -0.106 48.950 1.00 50.34 H new ATOM 0 HA ASP A 90 -23.393 -0.033 51.776 1.00 5.33 H new ATOM 0 HB2 ASP A 90 -24.240 1.564 49.835 1.00 31.34 H new ATOM 0 HB3 ASP A 90 -25.656 0.531 49.855 1.00 31.34 H new ATOM 1486 N LYS A 91 -24.990 -2.395 50.230 1.00 5.12 N ATOM 1487 CA LYS A 91 -25.802 -3.593 50.418 1.00 32.13 C ATOM 1488 C LYS A 91 -24.927 -4.841 50.465 1.00 14.42 C ATOM 1489 O LYS A 91 -24.519 -5.366 49.430 1.00 12.31 O ATOM 1490 CB LYS A 91 -26.831 -3.720 49.293 1.00 22.13 C ATOM 1491 CG LYS A 91 -28.178 -4.251 49.758 1.00 11.13 C ATOM 1492 CD LYS A 91 -29.163 -4.362 48.602 1.00 51.34 C ATOM 1493 CE LYS A 91 -30.253 -3.308 48.695 1.00 0.22 C ATOM 1494 NZ LYS A 91 -29.992 -2.155 47.789 1.00 35.33 N ATOM 0 H LYS A 91 -24.570 -2.311 49.304 1.00 5.12 H new ATOM 0 HA LYS A 91 -26.325 -3.501 51.370 1.00 32.13 H new ATOM 0 HB2 LYS A 91 -26.975 -2.743 48.831 1.00 22.13 H new ATOM 0 HB3 LYS A 91 -26.435 -4.382 48.523 1.00 22.13 H new ATOM 0 HG2 LYS A 91 -28.045 -5.230 50.219 1.00 11.13 H new ATOM 0 HG3 LYS A 91 -28.586 -3.591 50.523 1.00 11.13 H new ATOM 0 HD2 LYS A 91 -28.630 -4.253 47.657 1.00 51.34 H new ATOM 0 HD3 LYS A 91 -29.614 -5.354 48.601 1.00 51.34 H new ATOM 0 HE2 LYS A 91 -31.214 -3.757 48.443 1.00 0.22 H new ATOM 0 HE3 LYS A 91 -30.327 -2.952 49.723 1.00 0.22 H new ATOM 0 HZ1 LYS A 91 -30.759 -1.459 47.883 1.00 35.33 H new ATOM 0 HZ2 LYS A 91 -29.087 -1.710 48.045 1.00 35.33 H new ATOM 0 HZ3 LYS A 91 -29.947 -2.490 46.805 1.00 35.33 H new ATOM 1508 N LYS A 92 -24.642 -5.308 51.675 1.00 73.12 N ATOM 1509 CA LYS A 92 -23.814 -6.495 51.858 1.00 22.12 C ATOM 1510 C LYS A 92 -24.439 -7.711 51.180 1.00 70.24 C ATOM 1511 O LYS A 92 -23.737 -8.537 50.596 1.00 31.04 O ATOM 1512 CB LYS A 92 -23.617 -6.773 53.348 1.00 32.32 C ATOM 1513 CG LYS A 92 -24.911 -7.070 54.087 1.00 74.24 C ATOM 1514 CD LYS A 92 -24.863 -6.570 55.521 1.00 52.14 C ATOM 1515 CE LYS A 92 -24.266 -7.610 56.455 1.00 22.32 C ATOM 1516 NZ LYS A 92 -23.158 -7.047 57.277 1.00 40.43 N ATOM 0 H LYS A 92 -24.971 -4.884 52.543 1.00 73.12 H new ATOM 0 HA LYS A 92 -22.845 -6.307 51.395 1.00 22.12 H new ATOM 0 HB2 LYS A 92 -22.939 -7.619 53.465 1.00 32.32 H new ATOM 0 HB3 LYS A 92 -23.134 -5.911 53.809 1.00 32.32 H new ATOM 0 HG2 LYS A 92 -25.745 -6.601 53.565 1.00 74.24 H new ATOM 0 HG3 LYS A 92 -25.096 -8.144 54.082 1.00 74.24 H new ATOM 0 HD2 LYS A 92 -24.272 -5.655 55.569 1.00 52.14 H new ATOM 0 HD3 LYS A 92 -25.870 -6.317 55.853 1.00 52.14 H new ATOM 0 HE2 LYS A 92 -25.045 -7.998 57.112 1.00 22.32 H new ATOM 0 HE3 LYS A 92 -23.893 -8.451 55.871 1.00 22.32 H new ATOM 0 HZ1 LYS A 92 -22.778 -7.787 57.901 1.00 40.43 H new ATOM 0 HZ2 LYS A 92 -22.403 -6.700 56.651 1.00 40.43 H new ATOM 0 HZ3 LYS A 92 -23.519 -6.260 57.854 1.00 40.43 H new TER 1530 LYS A 92