USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1050 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 64 TYR OH : rot 158:sc= 1.12 USER MOD Set 1.2: A 102 SER OG : rot -85:sc= 0.904 USER MOD Set 2.1: A 30 CYS SG : rot -66:sc= 2.06 USER MOD Set 2.2: A 61 LYS NZ :NH3+ 157:sc= 2.43 (180deg=1.1) USER MOD Set 2.3: A 63 CYS SG : rot -171:sc= 2.38 USER MOD Set 2.4: A 99 TYR OH : rot 144:sc= 1.76 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 91:sc= 1.23 USER MOD Single : A 21 MET CE :methyl -178:sc= -2.07! (180deg=-2.19) USER MOD Single : A 22 LYS NZ :NH3+ 138:sc= -0.102 (180deg=-3.08!) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 0.809 (180deg=0.697) USER MOD Single : A 24 SER OG : rot 59:sc= 1.24 USER MOD Single : A 26 TYR OH : rot -167:sc= 1.28 USER MOD Single : A 28 MET CE :methyl 167:sc= -0.0383 (180deg=-0.267) USER MOD Single : A 29 MET CE :methyl -170:sc= -0.88 (180deg=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -176:sc= 1.73 (180deg=1.67) USER MOD Single : A 41 THR OG1 : rot -70:sc= -0.456 USER MOD Single : A 47 SER OG : rot 79:sc= 1.27 USER MOD Single : A 49 ASN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 50 TYR OH : rot -112:sc= 0.954 USER MOD Single : A 51 THR OG1 : rot -74:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 1.29 (180deg=1.05) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 0.754 (180deg=0.0481) USER MOD Single : A 58 SER OG : rot -8:sc= 1.15 USER MOD Single : A 59 THR OG1 : rot 115:sc= 0.33 USER MOD Single : A 71 TYR OH : rot 60:sc= -1.15 USER MOD Single : A 72 ASN : amide:sc= 0.191 K(o=0.19,f=-3.3!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.23) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -6.45! C(o=-6.4!,f=-8.6!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -115:sc= 0.31 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -146:sc= -0.635 (180deg=-2.11!) USER MOD Single : A 100 SER OG : rot 86:sc= 1.25 USER MOD Single : A 107 SER OG : rot 86:sc= 1.21 USER MOD Single : A 108 SER OG : rot 72:sc= 1.21 USER MOD Single : A 110 SER OG : rot 90:sc= 1.24 USER MOD Single : A 113 TYR OH : rot 12:sc= -0.521 USER MOD Single : A 117 GLN : amide:sc= -0.869 K(o=-0.87,f=-0.23) USER MOD Single : A 119 ASN : amide:sc= -2.64 K(o=-2.6,f=-0.031) USER MOD Single : A 122 SER OG : rot 180:sc= 0.016 USER MOD Single : A 132 LYS NZ :NH3+ 160:sc= 1.06 (180deg=0.474) USER MOD Single : A 136 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -7.223 -16.785 -9.063 1.00 24.30 N ATOM 59 CA GLY A 5 -7.581 -15.887 -10.123 1.00 51.44 C ATOM 60 C GLY A 5 -8.066 -14.616 -9.528 1.00 14.23 C ATOM 61 O GLY A 5 -9.204 -14.193 -9.762 1.00 70.00 O ATOM 0 HA2 GLY A 5 -6.721 -15.699 -10.766 1.00 51.44 H new ATOM 0 HA3 GLY A 5 -8.355 -16.331 -10.749 1.00 51.44 H new ATOM 65 N VAL A 6 -7.204 -14.021 -8.739 1.00 3.33 N ATOM 66 CA VAL A 6 -7.511 -12.823 -7.993 1.00 72.44 C ATOM 67 C VAL A 6 -7.849 -11.675 -8.922 1.00 50.14 C ATOM 68 O VAL A 6 -7.053 -11.285 -9.771 1.00 13.11 O ATOM 69 CB VAL A 6 -6.349 -12.436 -7.049 1.00 5.44 C ATOM 70 CG1 VAL A 6 -6.664 -11.164 -6.290 1.00 35.22 C ATOM 71 CG2 VAL A 6 -6.087 -13.558 -6.073 1.00 21.15 C ATOM 0 H VAL A 6 -6.253 -14.361 -8.594 1.00 3.33 H new ATOM 0 HA VAL A 6 -8.387 -13.034 -7.379 1.00 72.44 H new ATOM 0 HB VAL A 6 -5.461 -12.263 -7.656 1.00 5.44 H new ATOM 0 HG11 VAL A 6 -5.830 -10.916 -5.634 1.00 35.22 H new ATOM 0 HG12 VAL A 6 -6.825 -10.349 -6.996 1.00 35.22 H new ATOM 0 HG13 VAL A 6 -7.564 -11.310 -5.693 1.00 35.22 H new ATOM 0 HG21 VAL A 6 -5.267 -13.280 -5.410 1.00 21.15 H new ATOM 0 HG22 VAL A 6 -6.984 -13.743 -5.482 1.00 21.15 H new ATOM 0 HG23 VAL A 6 -5.820 -14.462 -6.621 1.00 21.15 H new ATOM 81 N THR A 7 -9.025 -11.153 -8.756 1.00 4.03 N ATOM 82 CA THR A 7 -9.507 -10.081 -9.570 1.00 41.01 C ATOM 83 C THR A 7 -9.525 -8.778 -8.733 1.00 23.24 C ATOM 84 O THR A 7 -9.462 -8.823 -7.496 1.00 24.14 O ATOM 85 CB THR A 7 -10.941 -10.440 -10.027 1.00 32.24 C ATOM 86 OG1 THR A 7 -10.961 -11.820 -10.437 1.00 45.02 O ATOM 87 CG2 THR A 7 -11.389 -9.578 -11.203 1.00 33.13 C ATOM 0 H THR A 7 -9.685 -11.463 -8.043 1.00 4.03 H new ATOM 0 HA THR A 7 -8.866 -9.931 -10.439 1.00 41.01 H new ATOM 0 HB THR A 7 -11.620 -10.263 -9.193 1.00 32.24 H new ATOM 0 HG1 THR A 7 -11.865 -12.062 -10.728 1.00 45.02 H new ATOM 0 HG21 THR A 7 -12.401 -9.859 -11.496 1.00 33.13 H new ATOM 0 HG22 THR A 7 -11.374 -8.528 -10.911 1.00 33.13 H new ATOM 0 HG23 THR A 7 -10.712 -9.730 -12.044 1.00 33.13 H new ATOM 95 N LEU A 8 -9.532 -7.653 -9.397 1.00 12.51 N ATOM 96 CA LEU A 8 -9.621 -6.351 -8.750 1.00 61.25 C ATOM 97 C LEU A 8 -11.068 -5.933 -8.804 1.00 43.41 C ATOM 98 O LEU A 8 -11.626 -5.848 -9.892 1.00 52.42 O ATOM 99 CB LEU A 8 -8.790 -5.308 -9.547 1.00 0.44 C ATOM 100 CG LEU A 8 -7.240 -5.286 -9.426 1.00 75.33 C ATOM 101 CD1 LEU A 8 -6.639 -6.665 -9.230 1.00 72.43 C ATOM 102 CD2 LEU A 8 -6.680 -4.714 -10.702 1.00 63.34 C ATOM 0 H LEU A 8 -9.476 -7.604 -10.414 1.00 12.51 H new ATOM 0 HA LEU A 8 -9.246 -6.407 -7.728 1.00 61.25 H new ATOM 0 HB2 LEU A 8 -9.030 -5.441 -10.602 1.00 0.44 H new ATOM 0 HB3 LEU A 8 -9.151 -4.320 -9.260 1.00 0.44 H new ATOM 0 HG LEU A 8 -6.988 -4.688 -8.550 1.00 75.33 H new ATOM 0 HD11 LEU A 8 -5.555 -6.582 -9.153 1.00 72.43 H new ATOM 0 HD12 LEU A 8 -7.035 -7.108 -8.316 1.00 72.43 H new ATOM 0 HD13 LEU A 8 -6.895 -7.297 -10.080 1.00 72.43 H new ATOM 0 HD21 LEU A 8 -5.592 -4.688 -10.642 1.00 63.34 H new ATOM 0 HD22 LEU A 8 -6.982 -5.337 -11.544 1.00 63.34 H new ATOM 0 HD23 LEU A 8 -7.060 -3.702 -10.845 1.00 63.34 H new ATOM 114 N GLU A 9 -11.695 -5.685 -7.676 1.00 75.24 N ATOM 115 CA GLU A 9 -13.077 -5.267 -7.732 1.00 11.03 C ATOM 116 C GLU A 9 -13.165 -3.752 -7.842 1.00 35.13 C ATOM 117 O GLU A 9 -12.140 -3.049 -7.758 1.00 22.24 O ATOM 118 CB GLU A 9 -13.905 -5.766 -6.551 1.00 33.14 C ATOM 119 CG GLU A 9 -13.531 -5.181 -5.217 1.00 53.13 C ATOM 120 CD GLU A 9 -14.630 -5.368 -4.229 1.00 62.10 C ATOM 121 OE1 GLU A 9 -15.633 -4.650 -4.328 1.00 35.24 O ATOM 122 OE2 GLU A 9 -14.521 -6.197 -3.334 1.00 75.35 O ATOM 0 H GLU A 9 -11.290 -5.761 -6.743 1.00 75.24 H new ATOM 0 HA GLU A 9 -13.506 -5.724 -8.624 1.00 11.03 H new ATOM 0 HB2 GLU A 9 -14.955 -5.547 -6.745 1.00 33.14 H new ATOM 0 HB3 GLU A 9 -13.811 -6.850 -6.494 1.00 33.14 H new ATOM 0 HG2 GLU A 9 -12.621 -5.655 -4.849 1.00 53.13 H new ATOM 0 HG3 GLU A 9 -13.314 -4.119 -5.329 1.00 53.13 H new ATOM 129 N GLU A 10 -14.370 -3.245 -7.991 1.00 32.31 N ATOM 130 CA GLU A 10 -14.569 -1.832 -8.169 1.00 34.00 C ATOM 131 C GLU A 10 -14.225 -1.052 -6.902 1.00 45.33 C ATOM 132 O GLU A 10 -13.694 0.039 -6.984 1.00 72.31 O ATOM 133 CB GLU A 10 -15.988 -1.528 -8.601 1.00 44.11 C ATOM 134 CG GLU A 10 -16.125 -0.168 -9.247 1.00 52.52 C ATOM 135 CD GLU A 10 -15.327 -0.098 -10.523 1.00 65.15 C ATOM 136 OE1 GLU A 10 -15.852 -0.507 -11.588 1.00 32.40 O ATOM 137 OE2 GLU A 10 -14.154 0.313 -10.506 1.00 53.03 O ATOM 0 H GLU A 10 -15.227 -3.798 -7.992 1.00 32.31 H new ATOM 0 HA GLU A 10 -13.890 -1.511 -8.959 1.00 34.00 H new ATOM 0 HB2 GLU A 10 -16.321 -2.293 -9.302 1.00 44.11 H new ATOM 0 HB3 GLU A 10 -16.646 -1.581 -7.734 1.00 44.11 H new ATOM 0 HG2 GLU A 10 -17.175 0.035 -9.458 1.00 52.52 H new ATOM 0 HG3 GLU A 10 -15.784 0.603 -8.557 1.00 52.52 H new ATOM 144 N SER A 11 -14.482 -1.639 -5.729 1.00 34.21 N ATOM 145 CA SER A 11 -14.191 -0.962 -4.457 1.00 62.44 C ATOM 146 C SER A 11 -12.697 -0.666 -4.332 1.00 31.34 C ATOM 147 O SER A 11 -12.294 0.333 -3.741 1.00 11.20 O ATOM 148 CB SER A 11 -14.672 -1.811 -3.294 1.00 51.43 C ATOM 149 OG SER A 11 -16.017 -2.226 -3.517 1.00 65.04 O ATOM 0 H SER A 11 -14.886 -2.570 -5.631 1.00 34.21 H new ATOM 0 HA SER A 11 -14.724 -0.011 -4.437 1.00 62.44 H new ATOM 0 HB2 SER A 11 -14.028 -2.683 -3.179 1.00 51.43 H new ATOM 0 HB3 SER A 11 -14.607 -1.242 -2.366 1.00 51.43 H new ATOM 0 HG SER A 11 -16.020 -3.087 -3.985 1.00 65.04 H new ATOM 155 N VAL A 12 -11.894 -1.524 -4.948 1.00 71.22 N ATOM 156 CA VAL A 12 -10.463 -1.353 -4.987 1.00 43.41 C ATOM 157 C VAL A 12 -10.140 -0.123 -5.817 1.00 20.05 C ATOM 158 O VAL A 12 -9.533 0.819 -5.334 1.00 24.25 O ATOM 159 CB VAL A 12 -9.779 -2.601 -5.609 1.00 5.43 C ATOM 160 CG1 VAL A 12 -8.281 -2.396 -5.772 1.00 50.41 C ATOM 161 CG2 VAL A 12 -10.046 -3.824 -4.756 1.00 3.31 C ATOM 0 H VAL A 12 -12.226 -2.357 -5.433 1.00 71.22 H new ATOM 0 HA VAL A 12 -10.088 -1.229 -3.971 1.00 43.41 H new ATOM 0 HB VAL A 12 -10.206 -2.753 -6.601 1.00 5.43 H new ATOM 0 HG11 VAL A 12 -7.837 -3.290 -6.210 1.00 50.41 H new ATOM 0 HG12 VAL A 12 -8.100 -1.543 -6.426 1.00 50.41 H new ATOM 0 HG13 VAL A 12 -7.831 -2.208 -4.797 1.00 50.41 H new ATOM 0 HG21 VAL A 12 -9.561 -4.692 -5.203 1.00 3.31 H new ATOM 0 HG22 VAL A 12 -9.649 -3.662 -3.754 1.00 3.31 H new ATOM 0 HG23 VAL A 12 -11.120 -3.999 -4.697 1.00 3.31 H new ATOM 171 N ARG A 13 -10.641 -0.111 -7.039 1.00 3.44 N ATOM 172 CA ARG A 13 -10.370 0.968 -7.982 1.00 61.35 C ATOM 173 C ARG A 13 -10.962 2.292 -7.506 1.00 24.31 C ATOM 174 O ARG A 13 -10.377 3.366 -7.733 1.00 61.45 O ATOM 175 CB ARG A 13 -10.873 0.602 -9.374 1.00 13.12 C ATOM 176 CG ARG A 13 -10.219 -0.654 -9.918 1.00 43.14 C ATOM 177 CD ARG A 13 -10.638 -0.962 -11.345 1.00 33.32 C ATOM 178 NE ARG A 13 -12.078 -1.222 -11.491 1.00 53.24 N ATOM 179 CZ ARG A 13 -12.593 -2.192 -12.253 1.00 4.34 C ATOM 180 NH1 ARG A 13 -11.797 -3.093 -12.830 1.00 63.31 N ATOM 181 NH2 ARG A 13 -13.899 -2.267 -12.429 1.00 53.13 N ATOM 0 H ARG A 13 -11.246 -0.845 -7.408 1.00 3.44 H new ATOM 0 HA ARG A 13 -9.290 1.103 -8.036 1.00 61.35 H new ATOM 0 HB2 ARG A 13 -11.953 0.460 -9.340 1.00 13.12 H new ATOM 0 HB3 ARG A 13 -10.682 1.431 -10.055 1.00 13.12 H new ATOM 0 HG2 ARG A 13 -9.136 -0.541 -9.878 1.00 43.14 H new ATOM 0 HG3 ARG A 13 -10.475 -1.498 -9.278 1.00 43.14 H new ATOM 0 HD2 ARG A 13 -10.362 -0.124 -11.985 1.00 33.32 H new ATOM 0 HD3 ARG A 13 -10.082 -1.830 -11.699 1.00 33.32 H new ATOM 0 HE ARG A 13 -12.725 -0.624 -10.978 1.00 53.24 H new ATOM 0 HH11 ARG A 13 -10.788 -3.045 -12.691 1.00 63.31 H new ATOM 0 HH12 ARG A 13 -12.198 -3.830 -13.410 1.00 63.31 H new ATOM 0 HH21 ARG A 13 -14.514 -1.585 -11.984 1.00 53.13 H new ATOM 0 HH22 ARG A 13 -14.294 -3.007 -13.010 1.00 53.13 H new ATOM 195 N GLY A 14 -12.104 2.210 -6.844 1.00 65.02 N ATOM 196 CA GLY A 14 -12.736 3.366 -6.260 1.00 13.10 C ATOM 197 C GLY A 14 -11.878 3.970 -5.169 1.00 41.30 C ATOM 198 O GLY A 14 -11.701 5.187 -5.122 1.00 61.32 O ATOM 0 H GLY A 14 -12.613 1.338 -6.700 1.00 65.02 H new ATOM 0 HA2 GLY A 14 -12.922 4.111 -7.034 1.00 13.10 H new ATOM 0 HA3 GLY A 14 -13.705 3.084 -5.849 1.00 13.10 H new ATOM 202 N ALA A 15 -11.313 3.117 -4.319 1.00 24.51 N ATOM 203 CA ALA A 15 -10.434 3.560 -3.238 1.00 62.53 C ATOM 204 C ALA A 15 -9.134 4.125 -3.809 1.00 11.53 C ATOM 205 O ALA A 15 -8.651 5.174 -3.363 1.00 23.12 O ATOM 206 CB ALA A 15 -10.146 2.417 -2.278 1.00 71.02 C ATOM 0 H ALA A 15 -11.449 2.107 -4.358 1.00 24.51 H new ATOM 0 HA ALA A 15 -10.940 4.350 -2.683 1.00 62.53 H new ATOM 0 HB1 ALA A 15 -9.490 2.768 -1.481 1.00 71.02 H new ATOM 0 HB2 ALA A 15 -11.081 2.059 -1.847 1.00 71.02 H new ATOM 0 HB3 ALA A 15 -9.660 1.603 -2.816 1.00 71.02 H new ATOM 212 N ILE A 16 -8.604 3.445 -4.829 1.00 64.40 N ATOM 213 CA ILE A 16 -7.385 3.871 -5.535 1.00 12.31 C ATOM 214 C ILE A 16 -7.571 5.283 -6.131 1.00 12.04 C ATOM 215 O ILE A 16 -6.621 6.061 -6.252 1.00 51.22 O ATOM 216 CB ILE A 16 -6.986 2.847 -6.665 1.00 11.33 C ATOM 217 CG1 ILE A 16 -6.640 1.465 -6.075 1.00 54.45 C ATOM 218 CG2 ILE A 16 -5.833 3.354 -7.523 1.00 72.42 C ATOM 219 CD1 ILE A 16 -5.486 1.464 -5.086 1.00 62.21 C ATOM 0 H ILE A 16 -9.006 2.581 -5.192 1.00 64.40 H new ATOM 0 HA ILE A 16 -6.573 3.900 -4.808 1.00 12.31 H new ATOM 0 HB ILE A 16 -7.859 2.744 -7.309 1.00 11.33 H new ATOM 0 HG12 ILE A 16 -7.525 1.065 -5.579 1.00 54.45 H new ATOM 0 HG13 ILE A 16 -6.399 0.786 -6.893 1.00 54.45 H new ATOM 0 HG21 ILE A 16 -5.595 2.614 -8.287 1.00 72.42 H new ATOM 0 HG22 ILE A 16 -6.120 4.290 -8.002 1.00 72.42 H new ATOM 0 HG23 ILE A 16 -4.958 3.521 -6.895 1.00 72.42 H new ATOM 0 HD11 ILE A 16 -5.317 0.449 -4.725 1.00 62.21 H new ATOM 0 HD12 ILE A 16 -4.585 1.829 -5.578 1.00 62.21 H new ATOM 0 HD13 ILE A 16 -5.728 2.113 -4.244 1.00 62.21 H new ATOM 231 N ASP A 17 -8.779 5.591 -6.510 1.00 14.22 N ATOM 232 CA ASP A 17 -9.116 6.909 -7.028 1.00 54.30 C ATOM 233 C ASP A 17 -9.371 7.908 -5.894 1.00 75.24 C ATOM 234 O ASP A 17 -8.958 9.061 -5.964 1.00 53.22 O ATOM 235 CB ASP A 17 -10.333 6.812 -7.943 1.00 54.02 C ATOM 236 CG ASP A 17 -10.903 8.155 -8.328 1.00 0.35 C ATOM 237 OD1 ASP A 17 -10.290 8.873 -9.147 1.00 31.44 O ATOM 238 OD2 ASP A 17 -12.014 8.479 -7.851 1.00 22.04 O ATOM 0 H ASP A 17 -9.566 4.943 -6.473 1.00 14.22 H new ATOM 0 HA ASP A 17 -8.266 7.277 -7.603 1.00 54.30 H new ATOM 0 HB2 ASP A 17 -10.056 6.271 -8.848 1.00 54.02 H new ATOM 0 HB3 ASP A 17 -11.106 6.227 -7.446 1.00 54.02 H new ATOM 243 N ASP A 18 -9.995 7.434 -4.836 1.00 63.13 N ATOM 244 CA ASP A 18 -10.391 8.286 -3.710 1.00 25.21 C ATOM 245 C ASP A 18 -9.176 8.849 -2.969 1.00 2.34 C ATOM 246 O ASP A 18 -9.181 10.013 -2.521 1.00 4.11 O ATOM 247 CB ASP A 18 -11.307 7.526 -2.761 1.00 3.04 C ATOM 248 CG ASP A 18 -11.945 8.423 -1.737 1.00 13.02 C ATOM 249 OD1 ASP A 18 -11.369 8.632 -0.687 1.00 32.41 O ATOM 250 OD2 ASP A 18 -13.073 8.914 -1.978 1.00 55.15 O ATOM 0 H ASP A 18 -10.246 6.452 -4.722 1.00 63.13 H new ATOM 0 HA ASP A 18 -10.942 9.135 -4.115 1.00 25.21 H new ATOM 0 HB2 ASP A 18 -12.086 7.025 -3.336 1.00 3.04 H new ATOM 0 HB3 ASP A 18 -10.735 6.749 -2.253 1.00 3.04 H new ATOM 255 N LEU A 19 -8.116 8.043 -2.880 1.00 62.12 N ATOM 256 CA LEU A 19 -6.854 8.474 -2.265 1.00 42.31 C ATOM 257 C LEU A 19 -6.264 9.676 -3.000 1.00 12.35 C ATOM 258 O LEU A 19 -5.702 10.572 -2.386 1.00 72.13 O ATOM 259 CB LEU A 19 -5.819 7.337 -2.244 1.00 2.52 C ATOM 260 CG LEU A 19 -6.076 6.163 -1.298 1.00 4.21 C ATOM 261 CD1 LEU A 19 -5.007 5.119 -1.478 1.00 75.11 C ATOM 262 CD2 LEU A 19 -6.073 6.634 0.131 1.00 61.30 C ATOM 0 H LEU A 19 -8.105 7.084 -3.227 1.00 62.12 H new ATOM 0 HA LEU A 19 -7.086 8.759 -1.239 1.00 42.31 H new ATOM 0 HB2 LEU A 19 -5.735 6.941 -3.256 1.00 2.52 H new ATOM 0 HB3 LEU A 19 -4.851 7.768 -1.989 1.00 2.52 H new ATOM 0 HG LEU A 19 -7.051 5.735 -1.532 1.00 4.21 H new ATOM 0 HD11 LEU A 19 -5.195 4.285 -0.802 1.00 75.11 H new ATOM 0 HD12 LEU A 19 -5.018 4.761 -2.507 1.00 75.11 H new ATOM 0 HD13 LEU A 19 -4.033 5.554 -1.255 1.00 75.11 H new ATOM 0 HD21 LEU A 19 -6.257 5.788 0.793 1.00 61.30 H new ATOM 0 HD22 LEU A 19 -5.105 7.075 0.367 1.00 61.30 H new ATOM 0 HD23 LEU A 19 -6.855 7.380 0.270 1.00 61.30 H new ATOM 274 N ARG A 20 -6.475 9.723 -4.314 1.00 64.42 N ATOM 275 CA ARG A 20 -5.912 10.784 -5.163 1.00 33.04 C ATOM 276 C ARG A 20 -6.611 12.116 -4.863 1.00 13.42 C ATOM 277 O ARG A 20 -6.104 13.200 -5.189 1.00 43.12 O ATOM 278 CB ARG A 20 -6.103 10.438 -6.650 1.00 1.31 C ATOM 279 CG ARG A 20 -5.708 9.017 -7.033 1.00 73.54 C ATOM 280 CD ARG A 20 -5.941 8.756 -8.511 1.00 44.21 C ATOM 281 NE ARG A 20 -5.895 7.317 -8.859 1.00 4.41 N ATOM 282 CZ ARG A 20 -5.738 6.847 -10.120 1.00 41.21 C ATOM 283 NH1 ARG A 20 -5.476 7.692 -11.112 1.00 71.30 N ATOM 284 NH2 ARG A 20 -5.853 5.535 -10.384 1.00 20.11 N ATOM 0 H ARG A 20 -7.034 9.037 -4.821 1.00 64.42 H new ATOM 0 HA ARG A 20 -4.847 10.870 -4.949 1.00 33.04 H new ATOM 0 HB2 ARG A 20 -7.150 10.592 -6.913 1.00 1.31 H new ATOM 0 HB3 ARG A 20 -5.518 11.136 -7.249 1.00 1.31 H new ATOM 0 HG2 ARG A 20 -4.657 8.853 -6.794 1.00 73.54 H new ATOM 0 HG3 ARG A 20 -6.284 8.306 -6.441 1.00 73.54 H new ATOM 0 HD2 ARG A 20 -6.911 9.163 -8.798 1.00 44.21 H new ATOM 0 HD3 ARG A 20 -5.188 9.289 -9.092 1.00 44.21 H new ATOM 0 HE ARG A 20 -5.987 6.638 -8.103 1.00 4.41 H new ATOM 0 HH11 ARG A 20 -5.394 8.691 -10.923 1.00 71.30 H new ATOM 0 HH12 ARG A 20 -5.357 7.342 -12.063 1.00 71.30 H new ATOM 0 HH21 ARG A 20 -6.061 4.880 -9.631 1.00 20.11 H new ATOM 0 HH22 ARG A 20 -5.732 5.194 -11.338 1.00 20.11 H new ATOM 298 N MET A 21 -7.772 12.022 -4.233 1.00 22.13 N ATOM 299 CA MET A 21 -8.576 13.183 -3.898 1.00 42.24 C ATOM 300 C MET A 21 -8.435 13.542 -2.424 1.00 11.01 C ATOM 301 O MET A 21 -9.119 14.457 -1.948 1.00 30.13 O ATOM 302 CB MET A 21 -10.055 12.929 -4.217 1.00 41.43 C ATOM 303 CG MET A 21 -10.360 12.709 -5.689 1.00 11.33 C ATOM 304 SD MET A 21 -12.124 12.448 -6.009 1.00 30.23 S ATOM 305 CE MET A 21 -12.417 10.910 -5.131 1.00 42.43 C ATOM 0 H MET A 21 -8.182 11.135 -3.940 1.00 22.13 H new ATOM 0 HA MET A 21 -8.214 14.016 -4.501 1.00 42.24 H new ATOM 0 HB2 MET A 21 -10.388 12.055 -3.657 1.00 41.43 H new ATOM 0 HB3 MET A 21 -10.640 13.778 -3.862 1.00 41.43 H new ATOM 0 HG2 MET A 21 -10.016 13.572 -6.260 1.00 11.33 H new ATOM 0 HG3 MET A 21 -9.799 11.846 -6.047 1.00 11.33 H new ATOM 0 HE1 MET A 21 -13.454 10.605 -5.268 1.00 42.43 H new ATOM 0 HE2 MET A 21 -11.756 10.136 -5.522 1.00 42.43 H new ATOM 0 HE3 MET A 21 -12.219 11.054 -4.069 1.00 42.43 H new ATOM 315 N LYS A 22 -7.578 12.793 -1.694 1.00 15.15 N ATOM 316 CA LYS A 22 -7.322 13.029 -0.245 1.00 34.42 C ATOM 317 C LYS A 22 -8.563 12.878 0.597 1.00 41.22 C ATOM 318 O LYS A 22 -8.656 13.420 1.699 1.00 22.42 O ATOM 319 CB LYS A 22 -6.673 14.396 -0.010 1.00 63.24 C ATOM 320 CG LYS A 22 -5.154 14.393 0.009 1.00 61.14 C ATOM 321 CD LYS A 22 -4.559 13.477 -1.030 1.00 32.30 C ATOM 322 CE LYS A 22 -3.115 13.841 -1.280 1.00 51.04 C ATOM 323 NZ LYS A 22 -2.323 13.850 -0.033 1.00 64.20 N ATOM 0 H LYS A 22 -7.046 12.014 -2.083 1.00 15.15 H new ATOM 0 HA LYS A 22 -6.624 12.254 0.073 1.00 34.42 H new ATOM 0 HB2 LYS A 22 -7.010 15.080 -0.789 1.00 63.24 H new ATOM 0 HB3 LYS A 22 -7.032 14.793 0.939 1.00 63.24 H new ATOM 0 HG2 LYS A 22 -4.791 15.407 -0.157 1.00 61.14 H new ATOM 0 HG3 LYS A 22 -4.808 14.088 0.997 1.00 61.14 H new ATOM 0 HD2 LYS A 22 -4.628 12.442 -0.695 1.00 32.30 H new ATOM 0 HD3 LYS A 22 -5.126 13.551 -1.958 1.00 32.30 H new ATOM 0 HE2 LYS A 22 -2.678 13.131 -1.982 1.00 51.04 H new ATOM 0 HE3 LYS A 22 -3.065 14.824 -1.749 1.00 51.04 H new ATOM 0 HZ1 LYS A 22 -1.399 13.406 -0.206 1.00 64.20 H new ATOM 0 HZ2 LYS A 22 -2.182 14.831 0.282 1.00 64.20 H new ATOM 0 HZ3 LYS A 22 -2.830 13.319 0.704 1.00 64.20 H new ATOM 337 N LYS A 23 -9.502 12.130 0.098 1.00 40.02 N ATOM 338 CA LYS A 23 -10.714 11.878 0.825 1.00 23.25 C ATOM 339 C LYS A 23 -10.485 10.693 1.749 1.00 30.12 C ATOM 340 O LYS A 23 -11.153 10.530 2.773 1.00 32.42 O ATOM 341 CB LYS A 23 -11.864 11.673 -0.149 1.00 14.40 C ATOM 342 CG LYS A 23 -12.124 12.899 -1.017 1.00 25.21 C ATOM 343 CD LYS A 23 -12.667 14.060 -0.191 1.00 23.12 C ATOM 344 CE LYS A 23 -12.770 15.337 -1.007 1.00 35.12 C ATOM 345 NZ LYS A 23 -11.448 15.929 -1.304 1.00 22.42 N ATOM 0 H LYS A 23 -9.452 11.680 -0.816 1.00 40.02 H new ATOM 0 HA LYS A 23 -10.989 12.730 1.446 1.00 23.25 H new ATOM 0 HB2 LYS A 23 -11.644 10.819 -0.790 1.00 14.40 H new ATOM 0 HB3 LYS A 23 -12.768 11.429 0.409 1.00 14.40 H new ATOM 0 HG2 LYS A 23 -11.199 13.201 -1.509 1.00 25.21 H new ATOM 0 HG3 LYS A 23 -12.835 12.646 -1.803 1.00 25.21 H new ATOM 0 HD2 LYS A 23 -13.650 13.799 0.200 1.00 23.12 H new ATOM 0 HD3 LYS A 23 -12.017 14.229 0.668 1.00 23.12 H new ATOM 0 HE2 LYS A 23 -13.288 15.125 -1.942 1.00 35.12 H new ATOM 0 HE3 LYS A 23 -13.376 16.063 -0.464 1.00 35.12 H new ATOM 0 HZ1 LYS A 23 -11.544 16.625 -2.071 1.00 22.42 H new ATOM 0 HZ2 LYS A 23 -11.080 16.400 -0.453 1.00 22.42 H new ATOM 0 HZ3 LYS A 23 -10.790 15.179 -1.597 1.00 22.42 H new ATOM 359 N SER A 24 -9.518 9.902 1.379 1.00 74.23 N ATOM 360 CA SER A 24 -9.024 8.843 2.178 1.00 20.53 C ATOM 361 C SER A 24 -7.525 9.089 2.402 1.00 42.13 C ATOM 362 O SER A 24 -6.986 10.105 1.951 1.00 40.51 O ATOM 363 CB SER A 24 -9.291 7.484 1.514 1.00 73.54 C ATOM 364 OG SER A 24 -10.679 7.264 1.350 1.00 25.42 O ATOM 0 H SER A 24 -9.043 9.989 0.480 1.00 74.23 H new ATOM 0 HA SER A 24 -9.536 8.816 3.140 1.00 20.53 H new ATOM 0 HB2 SER A 24 -8.796 7.446 0.544 1.00 73.54 H new ATOM 0 HB3 SER A 24 -8.862 6.688 2.122 1.00 73.54 H new ATOM 0 HG SER A 24 -11.060 7.976 0.794 1.00 25.42 H new ATOM 370 N ARG A 25 -6.879 8.183 3.072 1.00 43.14 N ATOM 371 CA ARG A 25 -5.475 8.303 3.429 1.00 50.55 C ATOM 372 C ARG A 25 -4.856 6.909 3.495 1.00 13.21 C ATOM 373 O ARG A 25 -3.755 6.685 3.009 1.00 72.24 O ATOM 374 CB ARG A 25 -5.386 8.979 4.794 1.00 31.21 C ATOM 375 CG ARG A 25 -3.997 9.215 5.364 1.00 31.23 C ATOM 376 CD ARG A 25 -3.185 10.200 4.545 1.00 51.12 C ATOM 377 NE ARG A 25 -2.069 10.711 5.337 1.00 73.50 N ATOM 378 CZ ARG A 25 -1.278 11.734 4.997 1.00 4.53 C ATOM 379 NH1 ARG A 25 -1.288 12.233 3.761 1.00 42.41 N ATOM 380 NH2 ARG A 25 -0.444 12.229 5.894 1.00 65.25 N ATOM 0 H ARG A 25 -7.311 7.318 3.398 1.00 43.14 H new ATOM 0 HA ARG A 25 -4.938 8.895 2.688 1.00 50.55 H new ATOM 0 HB2 ARG A 25 -5.892 9.942 4.727 1.00 31.21 H new ATOM 0 HB3 ARG A 25 -5.945 8.374 5.508 1.00 31.21 H new ATOM 0 HG2 ARG A 25 -4.086 9.585 6.385 1.00 31.23 H new ATOM 0 HG3 ARG A 25 -3.464 8.266 5.415 1.00 31.23 H new ATOM 0 HD2 ARG A 25 -2.810 9.714 3.645 1.00 51.12 H new ATOM 0 HD3 ARG A 25 -3.819 11.025 4.221 1.00 51.12 H new ATOM 0 HE ARG A 25 -1.877 10.248 6.225 1.00 73.50 H new ATOM 0 HH11 ARG A 25 -1.907 11.834 3.055 1.00 42.41 H new ATOM 0 HH12 ARG A 25 -0.677 13.014 3.521 1.00 42.41 H new ATOM 0 HH21 ARG A 25 -0.409 11.831 6.832 1.00 65.25 H new ATOM 0 HH22 ARG A 25 0.165 13.009 5.648 1.00 65.25 H new ATOM 394 N TYR A 26 -5.591 5.980 4.084 1.00 1.00 N ATOM 395 CA TYR A 26 -5.140 4.613 4.233 1.00 54.23 C ATOM 396 C TYR A 26 -6.206 3.664 3.718 1.00 4.15 C ATOM 397 O TYR A 26 -7.398 3.905 3.910 1.00 73.30 O ATOM 398 CB TYR A 26 -4.868 4.403 5.745 1.00 33.22 C ATOM 399 CG TYR A 26 -4.874 2.983 6.304 1.00 25.42 C ATOM 400 CD1 TYR A 26 -3.866 2.075 6.022 1.00 15.21 C ATOM 401 CD2 TYR A 26 -5.886 2.584 7.174 1.00 2.12 C ATOM 402 CE1 TYR A 26 -3.868 0.808 6.590 1.00 14.34 C ATOM 403 CE2 TYR A 26 -5.901 1.327 7.735 1.00 72.21 C ATOM 404 CZ TYR A 26 -4.894 0.441 7.444 1.00 3.35 C ATOM 405 OH TYR A 26 -4.890 -0.811 8.034 1.00 73.00 O ATOM 0 H TYR A 26 -6.518 6.156 4.472 1.00 1.00 H new ATOM 0 HA TYR A 26 -4.235 4.415 3.658 1.00 54.23 H new ATOM 0 HB2 TYR A 26 -3.896 4.842 5.969 1.00 33.22 H new ATOM 0 HB3 TYR A 26 -5.612 4.978 6.297 1.00 33.22 H new ATOM 0 HD1 TYR A 26 -3.068 2.357 5.351 1.00 15.21 H new ATOM 0 HD2 TYR A 26 -6.678 3.278 7.414 1.00 2.12 H new ATOM 0 HE1 TYR A 26 -3.073 0.112 6.367 1.00 14.34 H new ATOM 0 HE2 TYR A 26 -6.701 1.039 8.401 1.00 72.21 H new ATOM 0 HH TYR A 26 -5.768 -0.988 8.433 1.00 73.00 H new ATOM 415 N VAL A 27 -5.771 2.585 3.093 1.00 44.51 N ATOM 416 CA VAL A 27 -6.641 1.539 2.564 1.00 64.21 C ATOM 417 C VAL A 27 -5.855 0.230 2.560 1.00 24.14 C ATOM 418 O VAL A 27 -4.918 0.075 1.779 1.00 12.13 O ATOM 419 CB VAL A 27 -7.091 1.813 1.072 1.00 3.23 C ATOM 420 CG1 VAL A 27 -8.012 0.711 0.576 1.00 41.35 C ATOM 421 CG2 VAL A 27 -7.771 3.161 0.891 1.00 44.51 C ATOM 0 H VAL A 27 -4.780 2.403 2.933 1.00 44.51 H new ATOM 0 HA VAL A 27 -7.531 1.504 3.192 1.00 64.21 H new ATOM 0 HB VAL A 27 -6.176 1.827 0.480 1.00 3.23 H new ATOM 0 HG11 VAL A 27 -8.309 0.920 -0.452 1.00 41.35 H new ATOM 0 HG12 VAL A 27 -7.490 -0.245 0.616 1.00 41.35 H new ATOM 0 HG13 VAL A 27 -8.899 0.666 1.208 1.00 41.35 H new ATOM 0 HG21 VAL A 27 -8.055 3.288 -0.154 1.00 44.51 H new ATOM 0 HG22 VAL A 27 -8.662 3.206 1.517 1.00 44.51 H new ATOM 0 HG23 VAL A 27 -7.084 3.957 1.179 1.00 44.51 H new ATOM 431 N MET A 28 -6.190 -0.684 3.426 1.00 24.02 N ATOM 432 CA MET A 28 -5.523 -1.968 3.413 1.00 12.21 C ATOM 433 C MET A 28 -6.402 -2.956 2.699 1.00 12.33 C ATOM 434 O MET A 28 -7.602 -3.091 3.023 1.00 14.22 O ATOM 435 CB MET A 28 -5.167 -2.485 4.818 1.00 62.05 C ATOM 436 CG MET A 28 -4.412 -3.824 4.780 1.00 30.14 C ATOM 437 SD MET A 28 -3.908 -4.448 6.399 1.00 0.14 S ATOM 438 CE MET A 28 -5.492 -4.658 7.209 1.00 74.42 C ATOM 0 H MET A 28 -6.908 -0.574 4.142 1.00 24.02 H new ATOM 0 HA MET A 28 -4.574 -1.844 2.892 1.00 12.21 H new ATOM 0 HB2 MET A 28 -4.556 -1.742 5.331 1.00 62.05 H new ATOM 0 HB3 MET A 28 -6.081 -2.603 5.400 1.00 62.05 H new ATOM 0 HG2 MET A 28 -5.045 -4.570 4.299 1.00 30.14 H new ATOM 0 HG3 MET A 28 -3.525 -3.709 4.157 1.00 30.14 H new ATOM 0 HE1 MET A 28 -5.361 -5.246 8.117 1.00 74.42 H new ATOM 0 HE2 MET A 28 -5.902 -3.681 7.465 1.00 74.42 H new ATOM 0 HE3 MET A 28 -6.178 -5.175 6.538 1.00 74.42 H new ATOM 448 N MET A 29 -5.850 -3.618 1.719 1.00 53.43 N ATOM 449 CA MET A 29 -6.604 -4.549 0.943 1.00 72.40 C ATOM 450 C MET A 29 -6.068 -5.946 1.097 1.00 73.32 C ATOM 451 O MET A 29 -4.868 -6.193 0.972 1.00 43.15 O ATOM 452 CB MET A 29 -6.615 -4.119 -0.517 1.00 60.22 C ATOM 453 CG MET A 29 -7.414 -2.849 -0.765 1.00 70.23 C ATOM 454 SD MET A 29 -7.242 -2.204 -2.436 1.00 22.24 S ATOM 455 CE MET A 29 -5.514 -1.735 -2.433 1.00 22.41 C ATOM 0 H MET A 29 -4.873 -3.525 1.442 1.00 53.43 H new ATOM 0 HA MET A 29 -7.631 -4.556 1.309 1.00 72.40 H new ATOM 0 HB2 MET A 29 -5.589 -3.965 -0.851 1.00 60.22 H new ATOM 0 HB3 MET A 29 -7.030 -4.925 -1.123 1.00 60.22 H new ATOM 0 HG2 MET A 29 -8.467 -3.048 -0.568 1.00 70.23 H new ATOM 0 HG3 MET A 29 -7.096 -2.085 -0.055 1.00 70.23 H new ATOM 0 HE1 MET A 29 -5.292 -1.158 -3.330 1.00 22.41 H new ATOM 0 HE2 MET A 29 -5.303 -1.130 -1.551 1.00 22.41 H new ATOM 0 HE3 MET A 29 -4.894 -2.631 -2.416 1.00 22.41 H new ATOM 465 N CYS A 30 -6.959 -6.828 1.392 1.00 54.45 N ATOM 466 CA CYS A 30 -6.699 -8.222 1.551 1.00 54.30 C ATOM 467 C CYS A 30 -7.486 -8.948 0.459 1.00 61.30 C ATOM 468 O CYS A 30 -8.400 -8.362 -0.153 1.00 41.33 O ATOM 469 CB CYS A 30 -7.174 -8.641 2.964 1.00 64.43 C ATOM 470 SG CYS A 30 -6.756 -10.308 3.528 1.00 31.24 S ATOM 0 H CYS A 30 -7.939 -6.587 1.537 1.00 54.45 H new ATOM 0 HA CYS A 30 -5.641 -8.466 1.459 1.00 54.30 H new ATOM 0 HB2 CYS A 30 -6.762 -7.931 3.681 1.00 64.43 H new ATOM 0 HB3 CYS A 30 -8.258 -8.537 2.999 1.00 64.43 H new ATOM 0 HG CYS A 30 -7.378 -11.183 2.795 1.00 31.24 H new ATOM 476 N ILE A 31 -7.132 -10.170 0.185 1.00 1.14 N ATOM 477 CA ILE A 31 -7.811 -10.940 -0.822 1.00 25.35 C ATOM 478 C ILE A 31 -8.909 -11.754 -0.143 1.00 42.23 C ATOM 479 O ILE A 31 -8.812 -12.033 1.060 1.00 33.11 O ATOM 480 CB ILE A 31 -6.802 -11.892 -1.558 1.00 70.21 C ATOM 481 CG1 ILE A 31 -5.654 -11.071 -2.172 1.00 24.13 C ATOM 482 CG2 ILE A 31 -7.496 -12.719 -2.648 1.00 13.41 C ATOM 483 CD1 ILE A 31 -4.572 -11.909 -2.823 1.00 54.25 C ATOM 0 H ILE A 31 -6.368 -10.661 0.650 1.00 1.14 H new ATOM 0 HA ILE A 31 -8.246 -10.274 -1.567 1.00 25.35 H new ATOM 0 HB ILE A 31 -6.399 -12.585 -0.819 1.00 70.21 H new ATOM 0 HG12 ILE A 31 -6.067 -10.389 -2.915 1.00 24.13 H new ATOM 0 HG13 ILE A 31 -5.203 -10.457 -1.392 1.00 24.13 H new ATOM 0 HG21 ILE A 31 -6.766 -13.365 -3.135 1.00 13.41 H new ATOM 0 HG22 ILE A 31 -8.279 -13.330 -2.198 1.00 13.41 H new ATOM 0 HG23 ILE A 31 -7.938 -12.050 -3.387 1.00 13.41 H new ATOM 0 HD11 ILE A 31 -3.801 -11.255 -3.231 1.00 54.25 H new ATOM 0 HD12 ILE A 31 -4.129 -12.573 -2.080 1.00 54.25 H new ATOM 0 HD13 ILE A 31 -5.006 -12.503 -3.627 1.00 54.25 H new ATOM 495 N GLY A 32 -9.981 -12.044 -0.877 1.00 3.22 N ATOM 496 CA GLY A 32 -11.013 -12.934 -0.390 1.00 21.42 C ATOM 497 C GLY A 32 -10.392 -14.245 0.039 1.00 74.25 C ATOM 498 O GLY A 32 -9.460 -14.731 -0.622 1.00 33.43 O ATOM 0 H GLY A 32 -10.151 -11.671 -1.811 1.00 3.22 H new ATOM 0 HA2 GLY A 32 -11.536 -12.476 0.449 1.00 21.42 H new ATOM 0 HA3 GLY A 32 -11.754 -13.109 -1.170 1.00 21.42 H new ATOM 502 N ALA A 33 -10.930 -14.831 1.082 1.00 43.03 N ATOM 503 CA ALA A 33 -10.331 -15.976 1.763 1.00 73.32 C ATOM 504 C ALA A 33 -10.053 -17.197 0.872 1.00 5.11 C ATOM 505 O ALA A 33 -9.165 -17.990 1.178 1.00 71.35 O ATOM 506 CB ALA A 33 -11.165 -16.366 2.961 1.00 4.41 C ATOM 0 H ALA A 33 -11.812 -14.527 1.496 1.00 43.03 H new ATOM 0 HA ALA A 33 -9.345 -15.637 2.082 1.00 73.32 H new ATOM 0 HB1 ALA A 33 -10.708 -17.221 3.460 1.00 4.41 H new ATOM 0 HB2 ALA A 33 -11.220 -15.527 3.655 1.00 4.41 H new ATOM 0 HB3 ALA A 33 -12.170 -16.632 2.634 1.00 4.41 H new ATOM 512 N ASP A 34 -10.762 -17.348 -0.214 1.00 15.24 N ATOM 513 CA ASP A 34 -10.536 -18.513 -1.052 1.00 31.33 C ATOM 514 C ASP A 34 -9.716 -18.157 -2.296 1.00 15.23 C ATOM 515 O ASP A 34 -9.450 -19.005 -3.145 1.00 31.02 O ATOM 516 CB ASP A 34 -11.848 -19.217 -1.415 1.00 74.13 C ATOM 517 CG ASP A 34 -11.618 -20.615 -1.952 1.00 52.50 C ATOM 518 OD1 ASP A 34 -10.900 -21.404 -1.292 1.00 25.13 O ATOM 519 OD2 ASP A 34 -12.181 -20.978 -2.989 1.00 50.52 O ATOM 0 H ASP A 34 -11.483 -16.704 -0.540 1.00 15.24 H new ATOM 0 HA ASP A 34 -9.948 -19.222 -0.469 1.00 31.33 H new ATOM 0 HB2 ASP A 34 -12.487 -19.269 -0.533 1.00 74.13 H new ATOM 0 HB3 ASP A 34 -12.381 -18.627 -2.160 1.00 74.13 H new ATOM 524 N GLY A 35 -9.274 -16.908 -2.369 1.00 31.34 N ATOM 525 CA GLY A 35 -8.447 -16.469 -3.487 1.00 51.35 C ATOM 526 C GLY A 35 -9.254 -15.879 -4.624 1.00 13.42 C ATOM 527 O GLY A 35 -8.816 -15.890 -5.779 1.00 3.32 O ATOM 0 H GLY A 35 -9.471 -16.187 -1.675 1.00 31.34 H new ATOM 0 HA2 GLY A 35 -7.732 -15.727 -3.133 1.00 51.35 H new ATOM 0 HA3 GLY A 35 -7.870 -17.315 -3.859 1.00 51.35 H new ATOM 531 N LYS A 36 -10.426 -15.356 -4.295 1.00 71.44 N ATOM 532 CA LYS A 36 -11.326 -14.778 -5.291 1.00 63.33 C ATOM 533 C LYS A 36 -10.827 -13.436 -5.839 1.00 3.43 C ATOM 534 O LYS A 36 -10.374 -13.338 -6.973 1.00 54.32 O ATOM 535 CB LYS A 36 -12.734 -14.587 -4.720 1.00 71.40 C ATOM 536 CG LYS A 36 -13.477 -15.867 -4.372 1.00 42.54 C ATOM 537 CD LYS A 36 -14.861 -15.561 -3.789 1.00 22.32 C ATOM 538 CE LYS A 36 -15.737 -14.794 -4.773 1.00 65.44 C ATOM 539 NZ LYS A 36 -17.079 -14.505 -4.238 1.00 13.43 N ATOM 0 H LYS A 36 -10.781 -15.319 -3.339 1.00 71.44 H new ATOM 0 HA LYS A 36 -11.352 -15.492 -6.114 1.00 63.33 H new ATOM 0 HB2 LYS A 36 -12.663 -13.973 -3.822 1.00 71.40 H new ATOM 0 HB3 LYS A 36 -13.328 -14.028 -5.443 1.00 71.40 H new ATOM 0 HG2 LYS A 36 -13.583 -16.483 -5.265 1.00 42.54 H new ATOM 0 HG3 LYS A 36 -12.896 -16.444 -3.653 1.00 42.54 H new ATOM 0 HD2 LYS A 36 -15.354 -16.494 -3.516 1.00 22.32 H new ATOM 0 HD3 LYS A 36 -14.749 -14.980 -2.874 1.00 22.32 H new ATOM 0 HE2 LYS A 36 -15.246 -13.857 -5.035 1.00 65.44 H new ATOM 0 HE3 LYS A 36 -15.834 -15.371 -5.692 1.00 65.44 H new ATOM 0 HZ1 LYS A 36 -17.631 -13.983 -4.948 1.00 13.43 H new ATOM 0 HZ2 LYS A 36 -17.562 -15.398 -4.012 1.00 13.43 H new ATOM 0 HZ3 LYS A 36 -16.993 -13.930 -3.376 1.00 13.43 H new ATOM 553 N LYS A 37 -10.915 -12.407 -5.031 1.00 22.03 N ATOM 554 CA LYS A 37 -10.581 -11.078 -5.477 1.00 43.02 C ATOM 555 C LYS A 37 -10.102 -10.213 -4.337 1.00 25.43 C ATOM 556 O LYS A 37 -10.266 -10.582 -3.174 1.00 74.45 O ATOM 557 CB LYS A 37 -11.772 -10.441 -6.268 1.00 23.14 C ATOM 558 CG LYS A 37 -13.171 -10.487 -5.616 1.00 33.40 C ATOM 559 CD LYS A 37 -13.321 -9.576 -4.405 1.00 31.31 C ATOM 560 CE LYS A 37 -14.748 -9.619 -3.884 1.00 33.51 C ATOM 561 NZ LYS A 37 -14.955 -8.735 -2.728 1.00 20.34 N ATOM 0 H LYS A 37 -11.216 -12.466 -4.058 1.00 22.03 H new ATOM 0 HA LYS A 37 -9.744 -11.150 -6.171 1.00 43.02 H new ATOM 0 HB2 LYS A 37 -11.526 -9.397 -6.462 1.00 23.14 H new ATOM 0 HB3 LYS A 37 -11.836 -10.938 -7.236 1.00 23.14 H new ATOM 0 HG2 LYS A 37 -13.917 -10.210 -6.361 1.00 33.40 H new ATOM 0 HG3 LYS A 37 -13.387 -11.512 -5.315 1.00 33.40 H new ATOM 0 HD2 LYS A 37 -12.631 -9.887 -3.620 1.00 31.31 H new ATOM 0 HD3 LYS A 37 -13.056 -8.554 -4.676 1.00 31.31 H new ATOM 0 HE2 LYS A 37 -15.431 -9.332 -4.683 1.00 33.51 H new ATOM 0 HE3 LYS A 37 -14.998 -10.642 -3.603 1.00 33.51 H new ATOM 0 HZ1 LYS A 37 -15.924 -8.853 -2.370 1.00 20.34 H new ATOM 0 HZ2 LYS A 37 -14.277 -8.980 -1.978 1.00 20.34 H new ATOM 0 HZ3 LYS A 37 -14.810 -7.746 -3.017 1.00 20.34 H new ATOM 575 N ILE A 38 -9.488 -9.098 -4.674 1.00 54.43 N ATOM 576 CA ILE A 38 -9.002 -8.146 -3.689 1.00 64.44 C ATOM 577 C ILE A 38 -10.177 -7.289 -3.279 1.00 33.45 C ATOM 578 O ILE A 38 -10.994 -6.923 -4.132 1.00 73.31 O ATOM 579 CB ILE A 38 -7.915 -7.196 -4.283 1.00 55.21 C ATOM 580 CG1 ILE A 38 -6.804 -7.978 -4.981 1.00 62.52 C ATOM 581 CG2 ILE A 38 -7.322 -6.314 -3.191 1.00 14.24 C ATOM 582 CD1 ILE A 38 -5.763 -7.101 -5.659 1.00 71.00 C ATOM 0 H ILE A 38 -9.310 -8.823 -5.640 1.00 54.43 H new ATOM 0 HA ILE A 38 -8.563 -8.697 -2.857 1.00 64.44 H new ATOM 0 HB ILE A 38 -8.403 -6.566 -5.027 1.00 55.21 H new ATOM 0 HG12 ILE A 38 -6.307 -8.615 -4.249 1.00 62.52 H new ATOM 0 HG13 ILE A 38 -7.250 -8.637 -5.726 1.00 62.52 H new ATOM 0 HG21 ILE A 38 -6.566 -5.658 -3.623 1.00 14.24 H new ATOM 0 HG22 ILE A 38 -8.111 -5.711 -2.742 1.00 14.24 H new ATOM 0 HG23 ILE A 38 -6.864 -6.941 -2.426 1.00 14.24 H new ATOM 0 HD11 ILE A 38 -5.009 -7.730 -6.131 1.00 71.00 H new ATOM 0 HD12 ILE A 38 -6.245 -6.483 -6.416 1.00 71.00 H new ATOM 0 HD13 ILE A 38 -5.288 -6.460 -4.916 1.00 71.00 H new ATOM 594 N GLU A 39 -10.283 -6.992 -2.017 1.00 31.51 N ATOM 595 CA GLU A 39 -11.343 -6.163 -1.530 1.00 43.41 C ATOM 596 C GLU A 39 -10.830 -5.222 -0.471 1.00 44.34 C ATOM 597 O GLU A 39 -9.743 -5.435 0.089 1.00 71.24 O ATOM 598 CB GLU A 39 -12.499 -7.012 -1.006 1.00 3.23 C ATOM 599 CG GLU A 39 -12.108 -8.095 -0.026 1.00 51.23 C ATOM 600 CD GLU A 39 -13.303 -8.861 0.452 1.00 64.14 C ATOM 601 OE1 GLU A 39 -13.969 -9.522 -0.375 1.00 70.45 O ATOM 602 OE2 GLU A 39 -13.605 -8.831 1.664 1.00 60.31 O ATOM 0 H GLU A 39 -9.637 -7.318 -1.298 1.00 31.51 H new ATOM 0 HA GLU A 39 -11.723 -5.564 -2.358 1.00 43.41 H new ATOM 0 HB2 GLU A 39 -13.224 -6.354 -0.526 1.00 3.23 H new ATOM 0 HB3 GLU A 39 -13.002 -7.476 -1.854 1.00 3.23 H new ATOM 0 HG2 GLU A 39 -11.402 -8.778 -0.499 1.00 51.23 H new ATOM 0 HG3 GLU A 39 -11.596 -7.648 0.826 1.00 51.23 H new ATOM 609 N VAL A 40 -11.580 -4.175 -0.202 1.00 23.45 N ATOM 610 CA VAL A 40 -11.189 -3.242 0.809 1.00 10.23 C ATOM 611 C VAL A 40 -11.513 -3.812 2.182 1.00 2.43 C ATOM 612 O VAL A 40 -12.678 -4.002 2.553 1.00 70.43 O ATOM 613 CB VAL A 40 -11.772 -1.796 0.593 1.00 41.34 C ATOM 614 CG1 VAL A 40 -13.289 -1.785 0.467 1.00 14.24 C ATOM 615 CG2 VAL A 40 -11.322 -0.856 1.706 1.00 12.13 C ATOM 0 H VAL A 40 -12.459 -3.957 -0.672 1.00 23.45 H new ATOM 0 HA VAL A 40 -10.110 -3.106 0.736 1.00 10.23 H new ATOM 0 HB VAL A 40 -11.372 -1.439 -0.356 1.00 41.34 H new ATOM 0 HG11 VAL A 40 -13.634 -0.762 0.320 1.00 14.24 H new ATOM 0 HG12 VAL A 40 -13.588 -2.395 -0.385 1.00 14.24 H new ATOM 0 HG13 VAL A 40 -13.733 -2.190 1.376 1.00 14.24 H new ATOM 0 HG21 VAL A 40 -11.738 0.137 1.534 1.00 12.13 H new ATOM 0 HG22 VAL A 40 -11.672 -1.235 2.666 1.00 12.13 H new ATOM 0 HG23 VAL A 40 -10.234 -0.797 1.715 1.00 12.13 H new ATOM 625 N THR A 41 -10.485 -4.169 2.881 1.00 0.04 N ATOM 626 CA THR A 41 -10.613 -4.741 4.173 1.00 62.42 C ATOM 627 C THR A 41 -10.770 -3.645 5.204 1.00 22.42 C ATOM 628 O THR A 41 -11.625 -3.719 6.077 1.00 71.44 O ATOM 629 CB THR A 41 -9.377 -5.584 4.460 1.00 42.21 C ATOM 630 OG1 THR A 41 -9.173 -6.432 3.331 1.00 43.23 O ATOM 631 CG2 THR A 41 -9.561 -6.439 5.706 1.00 14.42 C ATOM 0 H THR A 41 -9.521 -4.068 2.562 1.00 0.04 H new ATOM 0 HA THR A 41 -11.497 -5.377 4.218 1.00 62.42 H new ATOM 0 HB THR A 41 -8.522 -4.931 4.635 1.00 42.21 H new ATOM 0 HG1 THR A 41 -9.879 -7.111 3.300 1.00 43.23 H new ATOM 0 HG21 THR A 41 -8.660 -7.027 5.880 1.00 14.42 H new ATOM 0 HG22 THR A 41 -9.746 -5.795 6.565 1.00 14.42 H new ATOM 0 HG23 THR A 41 -10.410 -7.109 5.566 1.00 14.42 H new ATOM 639 N GLU A 42 -9.978 -2.616 5.075 1.00 61.22 N ATOM 640 CA GLU A 42 -10.037 -1.530 5.996 1.00 43.03 C ATOM 641 C GLU A 42 -9.646 -0.248 5.307 1.00 45.41 C ATOM 642 O GLU A 42 -8.663 -0.208 4.564 1.00 5.11 O ATOM 643 CB GLU A 42 -9.148 -1.809 7.202 1.00 75.23 C ATOM 644 CG GLU A 42 -9.145 -0.713 8.241 1.00 54.01 C ATOM 645 CD GLU A 42 -8.371 -1.102 9.442 1.00 50.40 C ATOM 646 OE1 GLU A 42 -7.163 -1.336 9.329 1.00 33.13 O ATOM 647 OE2 GLU A 42 -8.947 -1.174 10.549 1.00 20.31 O ATOM 0 H GLU A 42 -9.283 -2.513 4.335 1.00 61.22 H new ATOM 0 HA GLU A 42 -11.060 -1.421 6.357 1.00 43.03 H new ATOM 0 HB2 GLU A 42 -9.474 -2.737 7.671 1.00 75.23 H new ATOM 0 HB3 GLU A 42 -8.127 -1.968 6.856 1.00 75.23 H new ATOM 0 HG2 GLU A 42 -8.720 0.195 7.812 1.00 54.01 H new ATOM 0 HG3 GLU A 42 -10.170 -0.480 8.528 1.00 54.01 H new ATOM 654 N VAL A 43 -10.424 0.766 5.525 1.00 12.11 N ATOM 655 CA VAL A 43 -10.188 2.059 4.954 1.00 23.24 C ATOM 656 C VAL A 43 -10.120 3.081 6.080 1.00 51.42 C ATOM 657 O VAL A 43 -10.801 2.935 7.101 1.00 64.32 O ATOM 658 CB VAL A 43 -11.299 2.433 3.908 1.00 63.52 C ATOM 659 CG1 VAL A 43 -12.686 2.420 4.532 1.00 51.44 C ATOM 660 CG2 VAL A 43 -11.025 3.779 3.239 1.00 74.23 C ATOM 0 H VAL A 43 -11.255 0.720 6.114 1.00 12.11 H new ATOM 0 HA VAL A 43 -9.242 2.051 4.413 1.00 23.24 H new ATOM 0 HB VAL A 43 -11.268 1.665 3.135 1.00 63.52 H new ATOM 0 HG11 VAL A 43 -13.427 2.684 3.777 1.00 51.44 H new ATOM 0 HG12 VAL A 43 -12.901 1.424 4.920 1.00 51.44 H new ATOM 0 HG13 VAL A 43 -12.725 3.143 5.347 1.00 51.44 H new ATOM 0 HG21 VAL A 43 -11.818 3.998 2.524 1.00 74.23 H new ATOM 0 HG22 VAL A 43 -10.994 4.562 3.997 1.00 74.23 H new ATOM 0 HG23 VAL A 43 -10.068 3.739 2.719 1.00 74.23 H new ATOM 670 N GLY A 44 -9.270 4.046 5.929 1.00 44.23 N ATOM 671 CA GLY A 44 -9.132 5.076 6.897 1.00 21.51 C ATOM 672 C GLY A 44 -8.889 6.386 6.218 1.00 10.23 C ATOM 673 O GLY A 44 -8.154 6.450 5.209 1.00 40.42 O ATOM 0 H GLY A 44 -8.650 4.138 5.124 1.00 44.23 H new ATOM 0 HA2 GLY A 44 -10.033 5.135 7.508 1.00 21.51 H new ATOM 0 HA3 GLY A 44 -8.305 4.846 7.569 1.00 21.51 H new ATOM 677 N GLU A 45 -9.493 7.420 6.713 1.00 74.00 N ATOM 678 CA GLU A 45 -9.336 8.706 6.118 1.00 73.25 C ATOM 679 C GLU A 45 -8.162 9.484 6.764 1.00 54.44 C ATOM 680 O GLU A 45 -7.253 8.869 7.333 1.00 44.11 O ATOM 681 CB GLU A 45 -10.699 9.460 6.043 1.00 71.32 C ATOM 682 CG GLU A 45 -11.448 9.667 7.353 1.00 44.42 C ATOM 683 CD GLU A 45 -10.753 10.630 8.240 1.00 1.42 C ATOM 684 OE1 GLU A 45 -10.642 11.798 7.860 1.00 61.24 O ATOM 685 OE2 GLU A 45 -10.211 10.215 9.264 1.00 55.23 O ATOM 0 H GLU A 45 -10.102 7.397 7.531 1.00 74.00 H new ATOM 0 HA GLU A 45 -9.036 8.595 5.076 1.00 73.25 H new ATOM 0 HB2 GLU A 45 -10.521 10.438 5.597 1.00 71.32 H new ATOM 0 HB3 GLU A 45 -11.352 8.913 5.362 1.00 71.32 H new ATOM 0 HG2 GLU A 45 -12.455 10.028 7.143 1.00 44.42 H new ATOM 0 HG3 GLU A 45 -11.553 8.711 7.866 1.00 44.42 H new ATOM 692 N ARG A 46 -8.196 10.809 6.705 1.00 12.25 N ATOM 693 CA ARG A 46 -7.056 11.666 7.070 1.00 14.23 C ATOM 694 C ARG A 46 -6.618 11.567 8.548 1.00 73.12 C ATOM 695 O ARG A 46 -5.550 12.075 8.913 1.00 15.42 O ATOM 696 CB ARG A 46 -7.283 13.148 6.666 1.00 22.05 C ATOM 697 CG ARG A 46 -7.569 13.361 5.177 1.00 73.40 C ATOM 698 CD ARG A 46 -9.063 13.296 4.855 1.00 32.13 C ATOM 699 NE ARG A 46 -9.742 14.578 5.110 1.00 13.11 N ATOM 700 CZ ARG A 46 -10.969 14.739 5.635 1.00 25.34 C ATOM 701 NH1 ARG A 46 -11.542 13.783 6.344 1.00 13.35 N ATOM 702 NH2 ARG A 46 -11.569 15.912 5.536 1.00 74.32 N ATOM 0 H ARG A 46 -9.018 11.331 6.401 1.00 12.25 H new ATOM 0 HA ARG A 46 -6.227 11.265 6.486 1.00 14.23 H new ATOM 0 HB2 ARG A 46 -8.117 13.546 7.244 1.00 22.05 H new ATOM 0 HB3 ARG A 46 -6.400 13.726 6.940 1.00 22.05 H new ATOM 0 HG2 ARG A 46 -7.176 14.330 4.869 1.00 73.40 H new ATOM 0 HG3 ARG A 46 -7.042 12.604 4.597 1.00 73.40 H new ATOM 0 HD2 ARG A 46 -9.196 13.018 3.810 1.00 32.13 H new ATOM 0 HD3 ARG A 46 -9.529 12.514 5.455 1.00 32.13 H new ATOM 0 HE ARG A 46 -9.231 15.426 4.864 1.00 13.11 H new ATOM 0 HH11 ARG A 46 -11.053 12.902 6.502 1.00 13.35 H new ATOM 0 HH12 ARG A 46 -12.474 13.926 6.734 1.00 13.35 H new ATOM 0 HH21 ARG A 46 -11.101 16.686 5.064 1.00 74.32 H new ATOM 0 HH22 ARG A 46 -12.500 16.044 5.931 1.00 74.32 H new ATOM 716 N SER A 47 -7.407 10.924 9.391 1.00 4.14 N ATOM 717 CA SER A 47 -7.038 10.767 10.792 1.00 12.33 C ATOM 718 C SER A 47 -5.982 9.660 10.989 1.00 45.00 C ATOM 719 O SER A 47 -5.442 9.493 12.090 1.00 53.42 O ATOM 720 CB SER A 47 -8.276 10.490 11.632 1.00 70.50 C ATOM 721 OG SER A 47 -9.271 11.476 11.379 1.00 0.14 O ATOM 0 H SER A 47 -8.301 10.504 9.135 1.00 4.14 H new ATOM 0 HA SER A 47 -6.587 11.702 11.124 1.00 12.33 H new ATOM 0 HB2 SER A 47 -8.668 9.500 11.400 1.00 70.50 H new ATOM 0 HB3 SER A 47 -8.014 10.490 12.690 1.00 70.50 H new ATOM 0 HG SER A 47 -9.726 11.273 10.535 1.00 0.14 H new ATOM 727 N VAL A 48 -5.691 8.910 9.936 1.00 2.31 N ATOM 728 CA VAL A 48 -4.672 7.881 10.010 1.00 4.33 C ATOM 729 C VAL A 48 -3.300 8.506 9.783 1.00 25.41 C ATOM 730 O VAL A 48 -3.031 9.081 8.717 1.00 4.34 O ATOM 731 CB VAL A 48 -4.900 6.741 8.975 1.00 73.23 C ATOM 732 CG1 VAL A 48 -3.827 5.662 9.110 1.00 12.00 C ATOM 733 CG2 VAL A 48 -6.279 6.128 9.144 1.00 0.13 C ATOM 0 H VAL A 48 -6.145 8.996 9.027 1.00 2.31 H new ATOM 0 HA VAL A 48 -4.730 7.436 11.003 1.00 4.33 H new ATOM 0 HB VAL A 48 -4.832 7.176 7.978 1.00 73.23 H new ATOM 0 HG11 VAL A 48 -4.007 4.876 8.377 1.00 12.00 H new ATOM 0 HG12 VAL A 48 -2.845 6.102 8.937 1.00 12.00 H new ATOM 0 HG13 VAL A 48 -3.862 5.237 10.113 1.00 12.00 H new ATOM 0 HG21 VAL A 48 -6.416 5.334 8.410 1.00 0.13 H new ATOM 0 HG22 VAL A 48 -6.373 5.715 10.148 1.00 0.13 H new ATOM 0 HG23 VAL A 48 -7.039 6.895 8.995 1.00 0.13 H new ATOM 743 N ASN A 49 -2.466 8.429 10.785 1.00 72.20 N ATOM 744 CA ASN A 49 -1.124 8.951 10.721 1.00 0.54 C ATOM 745 C ASN A 49 -0.166 7.791 10.599 1.00 32.03 C ATOM 746 O ASN A 49 -0.581 6.636 10.692 1.00 30.34 O ATOM 747 CB ASN A 49 -0.781 9.760 11.973 1.00 61.03 C ATOM 748 CG ASN A 49 -1.716 10.915 12.239 1.00 75.13 C ATOM 749 OD1 ASN A 49 -1.498 12.020 11.767 1.00 54.44 O ATOM 750 ND2 ASN A 49 -2.749 10.672 13.005 1.00 51.10 N ATOM 0 H ASN A 49 -2.700 7.998 11.679 1.00 72.20 H new ATOM 0 HA ASN A 49 -1.045 9.614 9.859 1.00 0.54 H new ATOM 0 HB2 ASN A 49 -0.790 9.094 12.836 1.00 61.03 H new ATOM 0 HB3 ASN A 49 0.235 10.144 11.877 1.00 61.03 H new ATOM 0 HD21 ASN A 49 -3.407 11.420 13.227 1.00 51.10 H new ATOM 0 HD22 ASN A 49 -2.897 9.735 13.380 1.00 51.10 H new ATOM 757 N TYR A 50 1.110 8.089 10.450 1.00 54.31 N ATOM 758 CA TYR A 50 2.141 7.081 10.230 1.00 64.41 C ATOM 759 C TYR A 50 2.287 6.145 11.411 1.00 33.34 C ATOM 760 O TYR A 50 2.507 4.947 11.241 1.00 73.33 O ATOM 761 CB TYR A 50 3.480 7.742 9.920 1.00 53.31 C ATOM 762 CG TYR A 50 3.447 8.578 8.674 1.00 43.03 C ATOM 763 CD1 TYR A 50 3.371 7.975 7.440 1.00 24.10 C ATOM 764 CD2 TYR A 50 3.493 9.967 8.728 1.00 31.31 C ATOM 765 CE1 TYR A 50 3.338 8.716 6.295 1.00 73.31 C ATOM 766 CE2 TYR A 50 3.461 10.720 7.570 1.00 33.24 C ATOM 767 CZ TYR A 50 3.382 10.078 6.355 1.00 41.14 C ATOM 768 OH TYR A 50 3.355 10.799 5.190 1.00 40.45 O ATOM 0 H TYR A 50 1.468 9.044 10.478 1.00 54.31 H new ATOM 0 HA TYR A 50 1.826 6.485 9.373 1.00 64.41 H new ATOM 0 HB2 TYR A 50 3.774 8.368 10.763 1.00 53.31 H new ATOM 0 HB3 TYR A 50 4.243 6.971 9.814 1.00 53.31 H new ATOM 0 HD1 TYR A 50 3.337 6.897 7.377 1.00 24.10 H new ATOM 0 HD2 TYR A 50 3.554 10.462 9.686 1.00 31.31 H new ATOM 0 HE1 TYR A 50 3.277 8.222 5.337 1.00 73.31 H new ATOM 0 HE2 TYR A 50 3.497 11.798 7.618 1.00 33.24 H new ATOM 0 HH TYR A 50 4.220 11.241 5.059 1.00 40.45 H new ATOM 778 N THR A 51 2.151 6.682 12.596 1.00 65.45 N ATOM 779 CA THR A 51 2.273 5.882 13.774 1.00 14.53 C ATOM 780 C THR A 51 1.091 4.914 13.894 1.00 33.12 C ATOM 781 O THR A 51 1.275 3.780 14.322 1.00 33.23 O ATOM 782 CB THR A 51 2.440 6.746 15.070 1.00 13.40 C ATOM 783 OG1 THR A 51 2.689 5.907 16.214 1.00 44.24 O ATOM 784 CG2 THR A 51 1.217 7.600 15.339 1.00 71.42 C ATOM 0 H THR A 51 1.956 7.669 12.765 1.00 65.45 H new ATOM 0 HA THR A 51 3.187 5.297 13.675 1.00 14.53 H new ATOM 0 HB THR A 51 3.293 7.403 14.904 1.00 13.40 H new ATOM 0 HG1 THR A 51 1.859 5.457 16.477 1.00 44.24 H new ATOM 0 HG21 THR A 51 1.373 8.184 16.246 1.00 71.42 H new ATOM 0 HG22 THR A 51 1.051 8.274 14.498 1.00 71.42 H new ATOM 0 HG23 THR A 51 0.346 6.958 15.466 1.00 71.42 H new ATOM 792 N ASP A 52 -0.089 5.346 13.407 1.00 32.50 N ATOM 793 CA ASP A 52 -1.326 4.570 13.522 1.00 62.12 C ATOM 794 C ASP A 52 -1.189 3.210 12.917 1.00 71.44 C ATOM 795 O ASP A 52 -1.372 2.223 13.596 1.00 24.34 O ATOM 796 CB ASP A 52 -2.529 5.285 12.885 1.00 72.32 C ATOM 797 CG ASP A 52 -3.023 6.472 13.667 1.00 62.12 C ATOM 798 OD1 ASP A 52 -3.900 6.302 14.538 1.00 35.52 O ATOM 799 OD2 ASP A 52 -2.568 7.600 13.422 1.00 53.10 O ATOM 0 H ASP A 52 -0.205 6.238 12.927 1.00 32.50 H new ATOM 0 HA ASP A 52 -1.509 4.469 14.592 1.00 62.12 H new ATOM 0 HB2 ASP A 52 -2.254 5.613 11.883 1.00 72.32 H new ATOM 0 HB3 ASP A 52 -3.345 4.571 12.774 1.00 72.32 H new ATOM 804 N LEU A 53 -0.799 3.154 11.661 1.00 54.32 N ATOM 805 CA LEU A 53 -0.705 1.873 10.976 1.00 4.31 C ATOM 806 C LEU A 53 0.434 0.997 11.500 1.00 4.31 C ATOM 807 O LEU A 53 0.343 -0.228 11.444 1.00 14.02 O ATOM 808 CB LEU A 53 -0.672 1.983 9.423 1.00 44.32 C ATOM 809 CG LEU A 53 0.464 2.789 8.751 1.00 2.42 C ATOM 810 CD1 LEU A 53 0.576 2.381 7.297 1.00 32.24 C ATOM 811 CD2 LEU A 53 0.176 4.274 8.792 1.00 65.02 C ATOM 0 H LEU A 53 -0.544 3.965 11.097 1.00 54.32 H new ATOM 0 HA LEU A 53 -1.640 1.369 11.221 1.00 4.31 H new ATOM 0 HB2 LEU A 53 -0.638 0.970 9.022 1.00 44.32 H new ATOM 0 HB3 LEU A 53 -1.618 2.420 9.104 1.00 44.32 H new ATOM 0 HG LEU A 53 1.387 2.582 9.292 1.00 2.42 H new ATOM 0 HD11 LEU A 53 1.376 2.948 6.821 1.00 32.24 H new ATOM 0 HD12 LEU A 53 0.799 1.316 7.234 1.00 32.24 H new ATOM 0 HD13 LEU A 53 -0.366 2.585 6.788 1.00 32.24 H new ATOM 0 HD21 LEU A 53 0.991 4.816 8.313 1.00 65.02 H new ATOM 0 HD22 LEU A 53 -0.756 4.479 8.264 1.00 65.02 H new ATOM 0 HD23 LEU A 53 0.085 4.598 9.829 1.00 65.02 H new ATOM 823 N LYS A 54 1.473 1.610 12.043 1.00 12.22 N ATOM 824 CA LYS A 54 2.602 0.846 12.552 1.00 1.42 C ATOM 825 C LYS A 54 2.302 0.229 13.913 1.00 75.11 C ATOM 826 O LYS A 54 2.414 -0.991 14.094 1.00 12.10 O ATOM 827 CB LYS A 54 3.868 1.692 12.672 1.00 14.21 C ATOM 828 CG LYS A 54 4.417 2.259 11.370 1.00 52.40 C ATOM 829 CD LYS A 54 5.775 2.924 11.602 1.00 0.32 C ATOM 830 CE LYS A 54 6.841 1.888 11.961 1.00 13.01 C ATOM 831 NZ LYS A 54 8.122 2.504 12.379 1.00 63.24 N ATOM 0 H LYS A 54 1.559 2.621 12.143 1.00 12.22 H new ATOM 0 HA LYS A 54 2.771 0.054 11.822 1.00 1.42 H new ATOM 0 HB2 LYS A 54 3.664 2.521 13.349 1.00 14.21 H new ATOM 0 HB3 LYS A 54 4.645 1.085 13.137 1.00 14.21 H new ATOM 0 HG2 LYS A 54 4.518 1.462 10.634 1.00 52.40 H new ATOM 0 HG3 LYS A 54 3.716 2.985 10.959 1.00 52.40 H new ATOM 0 HD2 LYS A 54 6.077 3.465 10.705 1.00 0.32 H new ATOM 0 HD3 LYS A 54 5.692 3.658 12.404 1.00 0.32 H new ATOM 0 HE2 LYS A 54 6.468 1.254 12.765 1.00 13.01 H new ATOM 0 HE3 LYS A 54 7.017 1.242 11.101 1.00 13.01 H new ATOM 0 HZ1 LYS A 54 8.708 1.793 12.862 1.00 63.24 H new ATOM 0 HZ2 LYS A 54 8.627 2.858 11.541 1.00 63.24 H new ATOM 0 HZ3 LYS A 54 7.932 3.294 13.028 1.00 63.24 H new ATOM 845 N GLU A 55 1.891 1.068 14.865 1.00 54.23 N ATOM 846 CA GLU A 55 1.696 0.626 16.247 1.00 22.24 C ATOM 847 C GLU A 55 0.488 -0.297 16.373 1.00 22.32 C ATOM 848 O GLU A 55 0.407 -1.122 17.284 1.00 24.24 O ATOM 849 CB GLU A 55 1.574 1.828 17.201 1.00 11.23 C ATOM 850 CG GLU A 55 0.324 2.680 17.013 1.00 5.11 C ATOM 851 CD GLU A 55 0.333 3.917 17.872 1.00 12.41 C ATOM 852 OE1 GLU A 55 0.247 3.796 19.117 1.00 55.00 O ATOM 853 OE2 GLU A 55 0.415 5.039 17.322 1.00 5.32 O ATOM 0 H GLU A 55 1.687 2.055 14.705 1.00 54.23 H new ATOM 0 HA GLU A 55 2.578 0.055 16.536 1.00 22.24 H new ATOM 0 HB2 GLU A 55 1.593 1.461 18.227 1.00 11.23 H new ATOM 0 HB3 GLU A 55 2.450 2.464 17.073 1.00 11.23 H new ATOM 0 HG2 GLU A 55 0.240 2.970 15.966 1.00 5.11 H new ATOM 0 HG3 GLU A 55 -0.557 2.084 17.250 1.00 5.11 H new ATOM 860 N LYS A 56 -0.426 -0.168 15.452 1.00 31.42 N ATOM 861 CA LYS A 56 -1.619 -0.975 15.420 1.00 52.42 C ATOM 862 C LYS A 56 -1.311 -2.406 15.000 1.00 62.33 C ATOM 863 O LYS A 56 -1.963 -3.354 15.467 1.00 62.53 O ATOM 864 CB LYS A 56 -2.607 -0.342 14.453 1.00 13.21 C ATOM 865 CG LYS A 56 -3.841 -1.145 14.134 1.00 3.55 C ATOM 866 CD LYS A 56 -4.711 -0.364 13.190 1.00 25.12 C ATOM 867 CE LYS A 56 -5.895 -1.161 12.728 1.00 52.10 C ATOM 868 NZ LYS A 56 -6.793 -0.326 11.935 1.00 71.53 N ATOM 0 H LYS A 56 -0.365 0.509 14.691 1.00 31.42 H new ATOM 0 HA LYS A 56 -2.047 -1.016 16.421 1.00 52.42 H new ATOM 0 HB2 LYS A 56 -2.921 0.617 14.865 1.00 13.21 H new ATOM 0 HB3 LYS A 56 -2.085 -0.133 13.519 1.00 13.21 H new ATOM 0 HG2 LYS A 56 -3.562 -2.099 13.686 1.00 3.55 H new ATOM 0 HG3 LYS A 56 -4.389 -1.371 15.049 1.00 3.55 H new ATOM 0 HD2 LYS A 56 -5.056 0.545 13.683 1.00 25.12 H new ATOM 0 HD3 LYS A 56 -4.123 -0.055 12.326 1.00 25.12 H new ATOM 0 HE2 LYS A 56 -5.560 -2.011 12.134 1.00 52.10 H new ATOM 0 HE3 LYS A 56 -6.428 -1.564 13.589 1.00 52.10 H new ATOM 0 HZ1 LYS A 56 -7.689 -0.830 11.780 1.00 71.53 H new ATOM 0 HZ2 LYS A 56 -6.979 0.563 12.442 1.00 71.53 H new ATOM 0 HZ3 LYS A 56 -6.351 -0.115 11.017 1.00 71.53 H new ATOM 882 N PHE A 57 -0.300 -2.574 14.180 1.00 62.14 N ATOM 883 CA PHE A 57 -0.025 -3.864 13.607 1.00 54.21 C ATOM 884 C PHE A 57 0.751 -4.830 14.506 1.00 53.41 C ATOM 885 O PHE A 57 1.933 -4.629 14.777 1.00 72.41 O ATOM 886 CB PHE A 57 0.669 -3.730 12.214 1.00 50.25 C ATOM 887 CG PHE A 57 1.477 -4.958 11.815 1.00 23.52 C ATOM 888 CD1 PHE A 57 0.887 -6.215 11.736 1.00 22.22 C ATOM 889 CD2 PHE A 57 2.848 -4.855 11.599 1.00 44.12 C ATOM 890 CE1 PHE A 57 1.638 -7.324 11.443 1.00 64.34 C ATOM 891 CE2 PHE A 57 3.606 -5.972 11.309 1.00 61.35 C ATOM 892 CZ PHE A 57 3.001 -7.209 11.233 1.00 62.22 C ATOM 0 H PHE A 57 0.342 -1.834 13.897 1.00 62.14 H new ATOM 0 HA PHE A 57 -1.008 -4.319 13.486 1.00 54.21 H new ATOM 0 HB2 PHE A 57 -0.091 -3.543 11.455 1.00 50.25 H new ATOM 0 HB3 PHE A 57 1.327 -2.861 12.227 1.00 50.25 H new ATOM 0 HD1 PHE A 57 -0.174 -6.319 11.907 1.00 22.22 H new ATOM 0 HD2 PHE A 57 3.326 -3.888 11.659 1.00 44.12 H new ATOM 0 HE1 PHE A 57 1.164 -8.292 11.376 1.00 64.34 H new ATOM 0 HE2 PHE A 57 4.669 -5.877 11.142 1.00 61.35 H new ATOM 0 HZ PHE A 57 3.590 -8.086 11.010 1.00 62.22 H new ATOM 902 N SER A 58 0.044 -5.832 15.010 1.00 74.00 N ATOM 903 CA SER A 58 0.649 -7.069 15.477 1.00 62.12 C ATOM 904 C SER A 58 -0.427 -8.182 15.457 1.00 74.12 C ATOM 905 O SER A 58 -0.683 -8.814 16.485 1.00 44.22 O ATOM 906 CB SER A 58 1.197 -6.920 16.925 1.00 11.41 C ATOM 907 OG SER A 58 2.213 -5.925 17.027 1.00 43.34 O ATOM 0 H SER A 58 -0.971 -5.808 15.106 1.00 74.00 H new ATOM 0 HA SER A 58 1.483 -7.319 14.821 1.00 62.12 H new ATOM 0 HB2 SER A 58 0.376 -6.666 17.596 1.00 11.41 H new ATOM 0 HB3 SER A 58 1.597 -7.878 17.259 1.00 11.41 H new ATOM 0 HG SER A 58 2.460 -5.616 16.130 1.00 43.34 H new ATOM 913 N THR A 59 -1.068 -8.444 14.312 1.00 13.32 N ATOM 914 CA THR A 59 -1.999 -9.558 14.293 1.00 0.20 C ATOM 915 C THR A 59 -1.353 -10.823 13.738 1.00 43.51 C ATOM 916 O THR A 59 -1.173 -11.823 14.437 1.00 50.05 O ATOM 917 CB THR A 59 -3.196 -9.176 13.418 1.00 24.42 C ATOM 918 OG1 THR A 59 -2.704 -8.553 12.202 1.00 54.24 O ATOM 919 CG2 THR A 59 -4.109 -8.219 14.142 1.00 31.24 C ATOM 0 H THR A 59 -0.964 -7.929 13.438 1.00 13.32 H new ATOM 0 HA THR A 59 -2.313 -9.766 15.316 1.00 0.20 H new ATOM 0 HB THR A 59 -3.765 -10.075 13.181 1.00 24.42 H new ATOM 0 HG1 THR A 59 -2.927 -9.117 11.432 1.00 54.24 H new ATOM 0 HG21 THR A 59 -4.951 -7.963 13.499 1.00 31.24 H new ATOM 0 HG22 THR A 59 -4.478 -8.688 15.054 1.00 31.24 H new ATOM 0 HG23 THR A 59 -3.559 -7.313 14.397 1.00 31.24 H new ATOM 927 N GLU A 60 -0.972 -10.733 12.497 1.00 42.13 N ATOM 928 CA GLU A 60 -0.206 -11.721 11.796 1.00 2.52 C ATOM 929 C GLU A 60 0.803 -10.956 11.000 1.00 44.40 C ATOM 930 O GLU A 60 1.988 -10.928 11.280 1.00 24.20 O ATOM 931 CB GLU A 60 -1.101 -12.555 10.865 1.00 23.02 C ATOM 932 CG GLU A 60 -0.429 -13.778 10.275 1.00 43.13 C ATOM 933 CD GLU A 60 -1.364 -14.591 9.421 1.00 0.22 C ATOM 934 OE1 GLU A 60 -2.086 -15.440 9.965 1.00 52.41 O ATOM 935 OE2 GLU A 60 -1.391 -14.419 8.195 1.00 32.23 O ATOM 0 H GLU A 60 -1.200 -9.926 11.917 1.00 42.13 H new ATOM 0 HA GLU A 60 0.264 -12.421 12.486 1.00 2.52 H new ATOM 0 HB2 GLU A 60 -1.983 -12.873 11.420 1.00 23.02 H new ATOM 0 HB3 GLU A 60 -1.449 -11.919 10.051 1.00 23.02 H new ATOM 0 HG2 GLU A 60 0.427 -13.466 9.676 1.00 43.13 H new ATOM 0 HG3 GLU A 60 -0.043 -14.402 11.081 1.00 43.13 H new ATOM 942 N LYS A 61 0.237 -10.251 10.046 1.00 25.15 N ATOM 943 CA LYS A 61 0.892 -9.437 9.084 1.00 33.33 C ATOM 944 C LYS A 61 -0.164 -8.524 8.494 1.00 13.10 C ATOM 945 O LYS A 61 -1.360 -8.810 8.654 1.00 32.53 O ATOM 946 CB LYS A 61 1.529 -10.325 7.976 1.00 15.20 C ATOM 947 CG LYS A 61 0.625 -11.438 7.371 1.00 35.42 C ATOM 948 CD LYS A 61 -0.603 -10.926 6.626 1.00 74.13 C ATOM 949 CE LYS A 61 -1.426 -12.058 6.091 1.00 75.40 C ATOM 950 NZ LYS A 61 -2.724 -11.614 5.547 1.00 61.22 N ATOM 0 H LYS A 61 -0.776 -10.241 9.926 1.00 25.15 H new ATOM 0 HA LYS A 61 1.695 -8.857 9.539 1.00 33.33 H new ATOM 0 HB2 LYS A 61 1.858 -9.675 7.165 1.00 15.20 H new ATOM 0 HB3 LYS A 61 2.421 -10.797 8.388 1.00 15.20 H new ATOM 0 HG2 LYS A 61 1.223 -12.041 6.687 1.00 35.42 H new ATOM 0 HG3 LYS A 61 0.297 -12.098 8.174 1.00 35.42 H new ATOM 0 HD2 LYS A 61 -1.210 -10.317 7.296 1.00 74.13 H new ATOM 0 HD3 LYS A 61 -0.290 -10.281 5.805 1.00 74.13 H new ATOM 0 HE2 LYS A 61 -0.866 -12.571 5.309 1.00 75.40 H new ATOM 0 HE3 LYS A 61 -1.599 -12.783 6.886 1.00 75.40 H new ATOM 0 HZ1 LYS A 61 -3.073 -12.317 4.865 1.00 61.22 H new ATOM 0 HZ2 LYS A 61 -3.410 -11.514 6.323 1.00 61.22 H new ATOM 0 HZ3 LYS A 61 -2.605 -10.698 5.070 1.00 61.22 H new ATOM 964 N PRO A 62 0.199 -7.396 7.935 1.00 43.15 N ATOM 965 CA PRO A 62 -0.707 -6.628 7.128 1.00 71.44 C ATOM 966 C PRO A 62 -0.718 -7.177 5.693 1.00 51.44 C ATOM 967 O PRO A 62 0.175 -7.944 5.289 1.00 12.20 O ATOM 968 CB PRO A 62 -0.116 -5.202 7.159 1.00 3.43 C ATOM 969 CG PRO A 62 1.064 -5.291 8.067 1.00 64.23 C ATOM 970 CD PRO A 62 1.483 -6.726 8.047 1.00 61.41 C ATOM 0 HA PRO A 62 -1.735 -6.660 7.488 1.00 71.44 H new ATOM 0 HB2 PRO A 62 0.178 -4.875 6.162 1.00 3.43 H new ATOM 0 HB3 PRO A 62 -0.845 -4.481 7.529 1.00 3.43 H new ATOM 0 HG2 PRO A 62 1.871 -4.643 7.725 1.00 64.23 H new ATOM 0 HG3 PRO A 62 0.806 -4.973 9.077 1.00 64.23 H new ATOM 0 HD2 PRO A 62 2.139 -6.951 7.206 1.00 61.41 H new ATOM 0 HD3 PRO A 62 2.018 -7.011 8.953 1.00 61.41 H new ATOM 978 N CYS A 63 -1.700 -6.805 4.956 1.00 63.14 N ATOM 979 CA CYS A 63 -1.775 -7.074 3.561 1.00 53.11 C ATOM 980 C CYS A 63 -1.373 -5.764 2.895 1.00 41.54 C ATOM 981 O CYS A 63 -1.059 -4.812 3.617 1.00 33.22 O ATOM 982 CB CYS A 63 -3.158 -7.577 3.179 1.00 40.34 C ATOM 983 SG CYS A 63 -3.674 -9.004 4.167 1.00 70.03 S ATOM 0 H CYS A 63 -2.502 -6.288 5.316 1.00 63.14 H new ATOM 0 HA CYS A 63 -1.113 -7.876 3.235 1.00 53.11 H new ATOM 0 HB2 CYS A 63 -3.882 -6.771 3.305 1.00 40.34 H new ATOM 0 HB3 CYS A 63 -3.164 -7.849 2.123 1.00 40.34 H new ATOM 0 HG CYS A 63 -4.764 -9.506 3.668 1.00 70.03 H new ATOM 989 N TYR A 64 -1.369 -5.643 1.596 1.00 32.43 N ATOM 990 CA TYR A 64 -0.803 -4.556 1.021 1.00 11.42 C ATOM 991 C TYR A 64 -1.762 -3.376 0.931 1.00 23.45 C ATOM 992 O TYR A 64 -2.956 -3.475 0.618 1.00 44.02 O ATOM 993 CB TYR A 64 -0.333 -5.017 -0.343 1.00 32.51 C ATOM 994 CG TYR A 64 -1.274 -5.912 -1.164 1.00 42.30 C ATOM 995 CD1 TYR A 64 -2.548 -5.512 -1.550 1.00 1.31 C ATOM 996 CD2 TYR A 64 -0.845 -7.172 -1.562 1.00 64.32 C ATOM 997 CE1 TYR A 64 -3.360 -6.341 -2.298 1.00 62.24 C ATOM 998 CE2 TYR A 64 -1.648 -7.998 -2.311 1.00 5.33 C ATOM 999 CZ TYR A 64 -2.900 -7.581 -2.677 1.00 51.10 C ATOM 1000 OH TYR A 64 -3.698 -8.410 -3.427 1.00 71.31 O ATOM 0 H TYR A 64 -1.770 -6.320 0.946 1.00 32.43 H new ATOM 0 HA TYR A 64 0.026 -4.182 1.622 1.00 11.42 H new ATOM 0 HB2 TYR A 64 -0.112 -4.131 -0.937 1.00 32.51 H new ATOM 0 HB3 TYR A 64 0.606 -5.554 -0.209 1.00 32.51 H new ATOM 0 HD1 TYR A 64 -2.909 -4.536 -1.260 1.00 1.31 H new ATOM 0 HD2 TYR A 64 0.140 -7.509 -1.277 1.00 64.32 H new ATOM 0 HE1 TYR A 64 -4.350 -6.018 -2.584 1.00 62.24 H new ATOM 0 HE2 TYR A 64 -1.293 -8.973 -2.610 1.00 5.33 H new ATOM 0 HH TYR A 64 -3.140 -9.063 -3.898 1.00 71.31 H new ATOM 1010 N VAL A 65 -1.181 -2.274 1.334 1.00 2.24 N ATOM 1011 CA VAL A 65 -1.839 -1.048 1.639 1.00 21.41 C ATOM 1012 C VAL A 65 -1.655 -0.008 0.549 1.00 12.34 C ATOM 1013 O VAL A 65 -0.549 0.199 0.055 1.00 42.03 O ATOM 1014 CB VAL A 65 -1.271 -0.462 2.977 1.00 74.02 C ATOM 1015 CG1 VAL A 65 -1.955 0.838 3.359 1.00 50.21 C ATOM 1016 CG2 VAL A 65 -1.386 -1.471 4.114 1.00 51.34 C ATOM 0 H VAL A 65 -0.171 -2.216 1.463 1.00 2.24 H new ATOM 0 HA VAL A 65 -2.902 -1.271 1.727 1.00 21.41 H new ATOM 0 HB VAL A 65 -0.216 -0.249 2.806 1.00 74.02 H new ATOM 0 HG11 VAL A 65 -1.532 1.211 4.292 1.00 50.21 H new ATOM 0 HG12 VAL A 65 -1.802 1.575 2.571 1.00 50.21 H new ATOM 0 HG13 VAL A 65 -3.023 0.663 3.489 1.00 50.21 H new ATOM 0 HG21 VAL A 65 -0.984 -1.036 5.029 1.00 51.34 H new ATOM 0 HG22 VAL A 65 -2.434 -1.730 4.266 1.00 51.34 H new ATOM 0 HG23 VAL A 65 -0.823 -2.369 3.862 1.00 51.34 H new ATOM 1026 N ALA A 66 -2.731 0.600 0.171 1.00 54.20 N ATOM 1027 CA ALA A 66 -2.712 1.737 -0.694 1.00 41.12 C ATOM 1028 C ALA A 66 -2.730 2.930 0.239 1.00 40.12 C ATOM 1029 O ALA A 66 -3.677 3.096 1.020 1.00 43.01 O ATOM 1030 CB ALA A 66 -3.931 1.718 -1.601 1.00 63.44 C ATOM 0 H ALA A 66 -3.667 0.316 0.460 1.00 54.20 H new ATOM 0 HA ALA A 66 -1.842 1.759 -1.351 1.00 41.12 H new ATOM 0 HB1 ALA A 66 -3.910 2.588 -2.258 1.00 63.44 H new ATOM 0 HB2 ALA A 66 -3.923 0.809 -2.203 1.00 63.44 H new ATOM 0 HB3 ALA A 66 -4.836 1.743 -0.994 1.00 63.44 H new ATOM 1036 N PHE A 67 -1.687 3.711 0.233 1.00 51.40 N ATOM 1037 CA PHE A 67 -1.565 4.761 1.216 1.00 72.41 C ATOM 1038 C PHE A 67 -1.145 6.074 0.573 1.00 1.21 C ATOM 1039 O PHE A 67 -0.342 6.091 -0.369 1.00 52.11 O ATOM 1040 CB PHE A 67 -0.544 4.319 2.296 1.00 53.05 C ATOM 1041 CG PHE A 67 -0.451 5.208 3.511 1.00 22.24 C ATOM 1042 CD1 PHE A 67 -1.374 5.093 4.538 1.00 14.41 C ATOM 1043 CD2 PHE A 67 0.557 6.147 3.630 1.00 63.24 C ATOM 1044 CE1 PHE A 67 -1.297 5.900 5.656 1.00 10.13 C ATOM 1045 CE2 PHE A 67 0.638 6.954 4.747 1.00 54.54 C ATOM 1046 CZ PHE A 67 -0.289 6.831 5.760 1.00 32.05 C ATOM 0 H PHE A 67 -0.915 3.646 -0.431 1.00 51.40 H new ATOM 0 HA PHE A 67 -2.536 4.932 1.681 1.00 72.41 H new ATOM 0 HB2 PHE A 67 -0.803 3.312 2.624 1.00 53.05 H new ATOM 0 HB3 PHE A 67 0.442 4.260 1.835 1.00 53.05 H new ATOM 0 HD1 PHE A 67 -2.165 4.362 4.463 1.00 14.41 H new ATOM 0 HD2 PHE A 67 1.288 6.250 2.842 1.00 63.24 H new ATOM 0 HE1 PHE A 67 -2.026 5.801 6.447 1.00 10.13 H new ATOM 0 HE2 PHE A 67 1.430 7.684 4.828 1.00 54.54 H new ATOM 0 HZ PHE A 67 -0.224 7.464 6.633 1.00 32.05 H new ATOM 1056 N ASP A 68 -1.711 7.144 1.061 1.00 63.04 N ATOM 1057 CA ASP A 68 -1.362 8.488 0.638 1.00 45.11 C ATOM 1058 C ASP A 68 -0.252 9.006 1.533 1.00 20.24 C ATOM 1059 O ASP A 68 -0.429 9.131 2.744 1.00 14.45 O ATOM 1060 CB ASP A 68 -2.581 9.398 0.703 1.00 32.11 C ATOM 1061 CG ASP A 68 -2.220 10.846 0.537 1.00 53.31 C ATOM 1062 OD1 ASP A 68 -1.668 11.225 -0.497 1.00 5.34 O ATOM 1063 OD2 ASP A 68 -2.475 11.654 1.464 1.00 65.00 O ATOM 0 H ASP A 68 -2.439 7.115 1.775 1.00 63.04 H new ATOM 0 HA ASP A 68 -1.016 8.473 -0.396 1.00 45.11 H new ATOM 0 HB2 ASP A 68 -3.288 9.111 -0.075 1.00 32.11 H new ATOM 0 HB3 ASP A 68 -3.085 9.259 1.659 1.00 32.11 H new ATOM 1068 N PHE A 69 0.876 9.290 0.946 1.00 60.21 N ATOM 1069 CA PHE A 69 2.061 9.610 1.694 1.00 23.21 C ATOM 1070 C PHE A 69 2.494 11.062 1.445 1.00 24.44 C ATOM 1071 O PHE A 69 2.445 11.551 0.303 1.00 35.41 O ATOM 1072 CB PHE A 69 3.155 8.628 1.244 1.00 32.32 C ATOM 1073 CG PHE A 69 4.399 8.619 2.066 1.00 34.40 C ATOM 1074 CD1 PHE A 69 4.448 7.888 3.227 1.00 75.13 C ATOM 1075 CD2 PHE A 69 5.519 9.318 1.673 1.00 52.44 C ATOM 1076 CE1 PHE A 69 5.585 7.852 3.991 1.00 14.40 C ATOM 1077 CE2 PHE A 69 6.663 9.288 2.433 1.00 72.54 C ATOM 1078 CZ PHE A 69 6.693 8.553 3.597 1.00 23.21 C ATOM 0 H PHE A 69 1.001 9.306 -0.066 1.00 60.21 H new ATOM 0 HA PHE A 69 1.875 9.518 2.764 1.00 23.21 H new ATOM 0 HB2 PHE A 69 2.735 7.622 1.243 1.00 32.32 H new ATOM 0 HB3 PHE A 69 3.425 8.861 0.214 1.00 32.32 H new ATOM 0 HD1 PHE A 69 3.577 7.333 3.543 1.00 75.13 H new ATOM 0 HD2 PHE A 69 5.498 9.894 0.760 1.00 52.44 H new ATOM 0 HE1 PHE A 69 5.607 7.272 4.902 1.00 14.40 H new ATOM 0 HE2 PHE A 69 7.537 9.840 2.118 1.00 72.54 H new ATOM 0 HZ PHE A 69 7.590 8.530 4.199 1.00 23.21 H new ATOM 1088 N GLU A 70 2.900 11.747 2.506 1.00 74.31 N ATOM 1089 CA GLU A 70 3.410 13.105 2.401 1.00 62.25 C ATOM 1090 C GLU A 70 4.869 13.115 2.862 1.00 32.02 C ATOM 1091 O GLU A 70 5.233 12.399 3.812 1.00 74.03 O ATOM 1092 CB GLU A 70 2.575 14.104 3.240 1.00 42.53 C ATOM 1093 CG GLU A 70 2.645 13.889 4.751 1.00 65.22 C ATOM 1094 CD GLU A 70 1.860 14.903 5.533 1.00 52.40 C ATOM 1095 OE1 GLU A 70 2.345 16.038 5.727 1.00 45.03 O ATOM 1096 OE2 GLU A 70 0.750 14.582 5.988 1.00 43.20 O ATOM 0 H GLU A 70 2.885 11.379 3.457 1.00 74.31 H new ATOM 0 HA GLU A 70 3.338 13.426 1.362 1.00 62.25 H new ATOM 0 HB2 GLU A 70 2.912 15.116 3.015 1.00 42.53 H new ATOM 0 HB3 GLU A 70 1.533 14.038 2.926 1.00 42.53 H new ATOM 0 HG2 GLU A 70 2.273 12.892 4.987 1.00 65.22 H new ATOM 0 HG3 GLU A 70 3.687 13.924 5.068 1.00 65.22 H new ATOM 1103 N TYR A 71 5.702 13.888 2.204 1.00 61.14 N ATOM 1104 CA TYR A 71 7.127 13.944 2.538 1.00 11.00 C ATOM 1105 C TYR A 71 7.746 15.183 1.922 1.00 44.35 C ATOM 1106 O TYR A 71 7.125 15.826 1.076 1.00 51.01 O ATOM 1107 CB TYR A 71 7.852 12.689 2.003 1.00 62.50 C ATOM 1108 CG TYR A 71 7.824 12.576 0.493 1.00 71.10 C ATOM 1109 CD1 TYR A 71 6.655 12.247 -0.176 1.00 22.34 C ATOM 1110 CD2 TYR A 71 8.956 12.829 -0.261 1.00 73.32 C ATOM 1111 CE1 TYR A 71 6.613 12.180 -1.534 1.00 45.12 C ATOM 1112 CE2 TYR A 71 8.921 12.756 -1.629 1.00 31.33 C ATOM 1113 CZ TYR A 71 7.744 12.435 -2.258 1.00 51.15 C ATOM 1114 OH TYR A 71 7.696 12.372 -3.614 1.00 53.04 O ATOM 0 H TYR A 71 5.427 14.493 1.430 1.00 61.14 H new ATOM 0 HA TYR A 71 7.232 13.981 3.622 1.00 11.00 H new ATOM 0 HB2 TYR A 71 8.889 12.706 2.339 1.00 62.50 H new ATOM 0 HB3 TYR A 71 7.391 11.801 2.435 1.00 62.50 H new ATOM 0 HD1 TYR A 71 5.760 12.040 0.392 1.00 22.34 H new ATOM 0 HD2 TYR A 71 9.880 13.088 0.235 1.00 73.32 H new ATOM 0 HE1 TYR A 71 5.692 11.927 -2.037 1.00 45.12 H new ATOM 0 HE2 TYR A 71 9.812 12.949 -2.207 1.00 31.33 H new ATOM 0 HH TYR A 71 7.042 13.021 -3.949 1.00 53.04 H new ATOM 1124 N ASN A 72 8.963 15.493 2.314 1.00 33.13 N ATOM 1125 CA ASN A 72 9.672 16.651 1.789 1.00 11.44 C ATOM 1126 C ASN A 72 10.216 16.360 0.397 1.00 34.32 C ATOM 1127 O ASN A 72 10.858 15.337 0.165 1.00 40.52 O ATOM 1128 CB ASN A 72 10.825 17.120 2.729 1.00 0.33 C ATOM 1129 CG ASN A 72 12.003 16.128 2.870 1.00 3.42 C ATOM 1130 OD1 ASN A 72 11.841 14.897 2.778 1.00 22.53 O ATOM 1131 ND2 ASN A 72 13.177 16.643 3.106 1.00 31.22 N ATOM 0 H ASN A 72 9.491 14.956 3.002 1.00 33.13 H new ATOM 0 HA ASN A 72 8.949 17.465 1.731 1.00 11.44 H new ATOM 0 HB2 ASN A 72 11.212 18.069 2.357 1.00 0.33 H new ATOM 0 HB3 ASN A 72 10.411 17.311 3.719 1.00 0.33 H new ATOM 0 HD21 ASN A 72 13.987 16.034 3.219 1.00 31.22 H new ATOM 0 HD22 ASN A 72 13.285 17.655 3.177 1.00 31.22 H new ATOM 1138 N ASP A 73 9.896 17.214 -0.522 1.00 64.40 N ATOM 1139 CA ASP A 73 10.381 17.137 -1.878 1.00 25.42 C ATOM 1140 C ASP A 73 10.548 18.553 -2.387 1.00 72.44 C ATOM 1141 O ASP A 73 9.573 19.326 -2.420 1.00 70.34 O ATOM 1142 CB ASP A 73 9.394 16.367 -2.771 1.00 52.21 C ATOM 1143 CG ASP A 73 9.926 16.131 -4.172 1.00 24.03 C ATOM 1144 OD1 ASP A 73 10.581 15.104 -4.403 1.00 72.41 O ATOM 1145 OD2 ASP A 73 9.689 16.964 -5.078 1.00 60.45 O ATOM 0 H ASP A 73 9.276 18.006 -0.354 1.00 64.40 H new ATOM 0 HA ASP A 73 11.331 16.603 -1.903 1.00 25.42 H new ATOM 0 HB2 ASP A 73 9.166 15.407 -2.308 1.00 52.21 H new ATOM 0 HB3 ASP A 73 8.458 16.922 -2.832 1.00 52.21 H new ATOM 1150 N ALA A 74 11.783 18.922 -2.685 1.00 14.50 N ATOM 1151 CA ALA A 74 12.151 20.261 -3.188 1.00 62.22 C ATOM 1152 C ALA A 74 11.885 21.359 -2.143 1.00 42.12 C ATOM 1153 O ALA A 74 11.751 22.545 -2.475 1.00 11.02 O ATOM 1154 CB ALA A 74 11.455 20.578 -4.516 1.00 61.11 C ATOM 0 H ALA A 74 12.583 18.296 -2.587 1.00 14.50 H new ATOM 0 HA ALA A 74 13.225 20.244 -3.376 1.00 62.22 H new ATOM 0 HB1 ALA A 74 11.751 21.571 -4.854 1.00 61.11 H new ATOM 0 HB2 ALA A 74 11.744 19.839 -5.264 1.00 61.11 H new ATOM 0 HB3 ALA A 74 10.374 20.549 -4.376 1.00 61.11 H new ATOM 1160 N GLY A 75 11.837 20.962 -0.885 1.00 22.04 N ATOM 1161 CA GLY A 75 11.629 21.904 0.197 1.00 20.50 C ATOM 1162 C GLY A 75 10.171 22.060 0.579 1.00 22.51 C ATOM 1163 O GLY A 75 9.827 22.884 1.424 1.00 43.22 O ATOM 0 H GLY A 75 11.940 19.992 -0.588 1.00 22.04 H new ATOM 0 HA2 GLY A 75 12.194 21.576 1.070 1.00 20.50 H new ATOM 0 HA3 GLY A 75 12.028 22.876 -0.094 1.00 20.50 H new ATOM 1167 N SER A 76 9.320 21.286 -0.024 1.00 62.53 N ATOM 1168 CA SER A 76 7.909 21.355 0.256 1.00 74.13 C ATOM 1169 C SER A 76 7.409 19.952 0.508 1.00 25.42 C ATOM 1170 O SER A 76 7.969 19.003 -0.026 1.00 24.12 O ATOM 1171 CB SER A 76 7.184 21.984 -0.950 1.00 73.00 C ATOM 1172 OG SER A 76 5.791 22.158 -0.715 1.00 62.03 O ATOM 0 H SER A 76 9.578 20.589 -0.723 1.00 62.53 H new ATOM 0 HA SER A 76 7.716 21.971 1.134 1.00 74.13 H new ATOM 0 HB2 SER A 76 7.635 22.950 -1.178 1.00 73.00 H new ATOM 0 HB3 SER A 76 7.326 21.351 -1.826 1.00 73.00 H new ATOM 0 HG SER A 76 5.374 22.561 -1.505 1.00 62.03 H new ATOM 1178 N LYS A 77 6.407 19.797 1.336 1.00 42.22 N ATOM 1179 CA LYS A 77 5.855 18.491 1.540 1.00 55.41 C ATOM 1180 C LYS A 77 4.846 18.188 0.465 1.00 13.52 C ATOM 1181 O LYS A 77 3.802 18.840 0.365 1.00 64.53 O ATOM 1182 CB LYS A 77 5.258 18.281 2.936 1.00 71.31 C ATOM 1183 CG LYS A 77 6.282 18.274 4.070 1.00 20.33 C ATOM 1184 CD LYS A 77 5.677 17.718 5.360 1.00 11.21 C ATOM 1185 CE LYS A 77 4.535 18.574 5.883 1.00 41.32 C ATOM 1186 NZ LYS A 77 3.809 17.913 6.986 1.00 63.20 N ATOM 0 H LYS A 77 5.966 20.547 1.869 1.00 42.22 H new ATOM 0 HA LYS A 77 6.684 17.786 1.473 1.00 55.41 H new ATOM 0 HB2 LYS A 77 4.529 19.068 3.127 1.00 71.31 H new ATOM 0 HB3 LYS A 77 4.716 17.335 2.947 1.00 71.31 H new ATOM 0 HG2 LYS A 77 7.144 17.673 3.781 1.00 20.33 H new ATOM 0 HG3 LYS A 77 6.644 19.288 4.243 1.00 20.33 H new ATOM 0 HD2 LYS A 77 5.315 16.705 5.181 1.00 11.21 H new ATOM 0 HD3 LYS A 77 6.454 17.649 6.122 1.00 11.21 H new ATOM 0 HE2 LYS A 77 4.928 19.530 6.229 1.00 41.32 H new ATOM 0 HE3 LYS A 77 3.842 18.789 5.070 1.00 41.32 H new ATOM 0 HZ1 LYS A 77 3.423 18.634 7.628 1.00 63.20 H new ATOM 0 HZ2 LYS A 77 3.031 17.343 6.597 1.00 63.20 H new ATOM 0 HZ3 LYS A 77 4.461 17.296 7.510 1.00 63.20 H new ATOM 1200 N ARG A 78 5.178 17.249 -0.363 1.00 25.22 N ATOM 1201 CA ARG A 78 4.319 16.857 -1.437 1.00 53.04 C ATOM 1202 C ARG A 78 3.722 15.509 -1.150 1.00 3.02 C ATOM 1203 O ARG A 78 4.180 14.793 -0.249 1.00 52.54 O ATOM 1204 CB ARG A 78 5.042 16.829 -2.793 1.00 2.52 C ATOM 1205 CG ARG A 78 5.585 18.172 -3.282 1.00 2.32 C ATOM 1206 CD ARG A 78 4.539 19.289 -3.223 1.00 41.34 C ATOM 1207 NE ARG A 78 3.227 18.894 -3.783 1.00 41.10 N ATOM 1208 CZ ARG A 78 2.271 19.742 -4.176 1.00 12.53 C ATOM 1209 NH1 ARG A 78 2.534 21.028 -4.352 1.00 23.21 N ATOM 1210 NH2 ARG A 78 1.056 19.280 -4.417 1.00 14.23 N ATOM 0 H ARG A 78 6.055 16.730 -0.314 1.00 25.22 H new ATOM 0 HA ARG A 78 3.531 17.607 -1.507 1.00 53.04 H new ATOM 0 HB2 ARG A 78 5.871 16.125 -2.727 1.00 2.52 H new ATOM 0 HB3 ARG A 78 4.353 16.441 -3.544 1.00 2.52 H new ATOM 0 HG2 ARG A 78 6.446 18.454 -2.676 1.00 2.32 H new ATOM 0 HG3 ARG A 78 5.939 18.065 -4.307 1.00 2.32 H new ATOM 0 HD2 ARG A 78 4.405 19.598 -2.186 1.00 41.34 H new ATOM 0 HD3 ARG A 78 4.913 20.156 -3.768 1.00 41.34 H new ATOM 0 HE ARG A 78 3.037 17.896 -3.876 1.00 41.10 H new ATOM 0 HH11 ARG A 78 3.476 21.383 -4.187 1.00 23.21 H new ATOM 0 HH12 ARG A 78 1.795 21.663 -4.652 1.00 23.21 H new ATOM 0 HH21 ARG A 78 0.856 18.286 -4.303 1.00 14.23 H new ATOM 0 HH22 ARG A 78 0.318 19.917 -4.717 1.00 14.23 H new ATOM 1224 N GLU A 79 2.720 15.174 -1.905 1.00 14.02 N ATOM 1225 CA GLU A 79 2.020 13.944 -1.770 1.00 65.34 C ATOM 1226 C GLU A 79 2.391 12.988 -2.882 1.00 42.20 C ATOM 1227 O GLU A 79 2.595 13.399 -4.033 1.00 71.14 O ATOM 1228 CB GLU A 79 0.497 14.172 -1.795 1.00 42.30 C ATOM 1229 CG GLU A 79 -0.075 14.828 -3.076 1.00 63.33 C ATOM 1230 CD GLU A 79 0.268 16.296 -3.225 1.00 31.23 C ATOM 1231 OE1 GLU A 79 1.354 16.632 -3.751 1.00 31.51 O ATOM 1232 OE2 GLU A 79 -0.534 17.139 -2.810 1.00 10.35 O ATOM 0 H GLU A 79 2.361 15.769 -2.651 1.00 14.02 H new ATOM 0 HA GLU A 79 2.305 13.512 -0.811 1.00 65.34 H new ATOM 0 HB2 GLU A 79 0.004 13.210 -1.653 1.00 42.30 H new ATOM 0 HB3 GLU A 79 0.230 14.796 -0.942 1.00 42.30 H new ATOM 0 HG2 GLU A 79 0.299 14.288 -3.946 1.00 63.33 H new ATOM 0 HG3 GLU A 79 -1.159 14.718 -3.075 1.00 63.33 H new ATOM 1239 N LYS A 80 2.512 11.755 -2.536 1.00 34.41 N ATOM 1240 CA LYS A 80 2.695 10.678 -3.469 1.00 71.25 C ATOM 1241 C LYS A 80 1.997 9.502 -2.916 1.00 13.10 C ATOM 1242 O LYS A 80 2.083 9.231 -1.727 1.00 41.21 O ATOM 1243 CB LYS A 80 4.173 10.341 -3.755 1.00 12.34 C ATOM 1244 CG LYS A 80 4.929 11.340 -4.645 1.00 74.52 C ATOM 1245 CD LYS A 80 4.694 11.166 -6.171 1.00 5.11 C ATOM 1246 CE LYS A 80 3.246 11.364 -6.629 1.00 52.11 C ATOM 1247 NZ LYS A 80 3.145 11.410 -8.107 1.00 71.03 N ATOM 0 H LYS A 80 2.487 11.448 -1.564 1.00 34.41 H new ATOM 0 HA LYS A 80 2.285 10.983 -4.432 1.00 71.25 H new ATOM 0 HB2 LYS A 80 4.698 10.262 -2.803 1.00 12.34 H new ATOM 0 HB3 LYS A 80 4.217 9.359 -4.226 1.00 12.34 H new ATOM 0 HG2 LYS A 80 4.637 12.351 -4.360 1.00 74.52 H new ATOM 0 HG3 LYS A 80 5.996 11.248 -4.444 1.00 74.52 H new ATOM 0 HD2 LYS A 80 5.328 11.874 -6.704 1.00 5.11 H new ATOM 0 HD3 LYS A 80 5.018 10.167 -6.462 1.00 5.11 H new ATOM 0 HE2 LYS A 80 2.628 10.552 -6.246 1.00 52.11 H new ATOM 0 HE3 LYS A 80 2.853 12.289 -6.207 1.00 52.11 H new ATOM 0 HZ1 LYS A 80 2.151 11.545 -8.383 1.00 71.03 H new ATOM 0 HZ2 LYS A 80 3.716 12.200 -8.470 1.00 71.03 H new ATOM 0 HZ3 LYS A 80 3.497 10.517 -8.507 1.00 71.03 H new ATOM 1261 N LEU A 81 1.283 8.841 -3.733 1.00 3.30 N ATOM 1262 CA LEU A 81 0.547 7.722 -3.304 1.00 50.20 C ATOM 1263 C LEU A 81 1.420 6.507 -3.451 1.00 4.33 C ATOM 1264 O LEU A 81 2.109 6.343 -4.456 1.00 33.41 O ATOM 1265 CB LEU A 81 -0.779 7.600 -4.078 1.00 22.34 C ATOM 1266 CG LEU A 81 -1.849 8.713 -3.829 1.00 22.41 C ATOM 1267 CD1 LEU A 81 -1.414 10.091 -4.324 1.00 61.23 C ATOM 1268 CD2 LEU A 81 -3.151 8.339 -4.469 1.00 51.42 C ATOM 0 H LEU A 81 1.190 9.060 -4.725 1.00 3.30 H new ATOM 0 HA LEU A 81 0.266 7.828 -2.256 1.00 50.20 H new ATOM 0 HB2 LEU A 81 -0.549 7.583 -5.143 1.00 22.34 H new ATOM 0 HB3 LEU A 81 -1.228 6.637 -3.833 1.00 22.34 H new ATOM 0 HG LEU A 81 -1.968 8.783 -2.748 1.00 22.41 H new ATOM 0 HD11 LEU A 81 -2.202 10.816 -4.120 1.00 61.23 H new ATOM 0 HD12 LEU A 81 -0.502 10.392 -3.808 1.00 61.23 H new ATOM 0 HD13 LEU A 81 -1.227 10.050 -5.397 1.00 61.23 H new ATOM 0 HD21 LEU A 81 -3.885 9.124 -4.286 1.00 51.42 H new ATOM 0 HD22 LEU A 81 -3.007 8.219 -5.543 1.00 51.42 H new ATOM 0 HD23 LEU A 81 -3.509 7.401 -4.044 1.00 51.42 H new ATOM 1280 N ILE A 82 1.462 5.708 -2.449 1.00 71.31 N ATOM 1281 CA ILE A 82 2.319 4.565 -2.449 1.00 71.12 C ATOM 1282 C ILE A 82 1.513 3.302 -2.348 1.00 35.31 C ATOM 1283 O ILE A 82 0.453 3.265 -1.703 1.00 43.15 O ATOM 1284 CB ILE A 82 3.368 4.629 -1.305 1.00 3.04 C ATOM 1285 CG1 ILE A 82 2.670 4.819 0.052 1.00 51.24 C ATOM 1286 CG2 ILE A 82 4.388 5.741 -1.567 1.00 3.02 C ATOM 1287 CD1 ILE A 82 3.606 4.891 1.228 1.00 72.32 C ATOM 0 H ILE A 82 0.906 5.822 -1.602 1.00 71.31 H new ATOM 0 HA ILE A 82 2.862 4.565 -3.394 1.00 71.12 H new ATOM 0 HB ILE A 82 3.910 3.684 -1.276 1.00 3.04 H new ATOM 0 HG12 ILE A 82 2.078 5.734 0.018 1.00 51.24 H new ATOM 0 HG13 ILE A 82 1.974 3.995 0.207 1.00 51.24 H new ATOM 0 HG21 ILE A 82 5.113 5.768 -0.754 1.00 3.02 H new ATOM 0 HG22 ILE A 82 4.904 5.547 -2.507 1.00 3.02 H new ATOM 0 HG23 ILE A 82 3.873 6.700 -1.627 1.00 3.02 H new ATOM 0 HD11 ILE A 82 3.030 5.026 2.144 1.00 72.32 H new ATOM 0 HD12 ILE A 82 4.180 3.967 1.293 1.00 72.32 H new ATOM 0 HD13 ILE A 82 4.286 5.733 1.100 1.00 72.32 H new ATOM 1299 N LEU A 83 1.984 2.286 -2.992 1.00 15.51 N ATOM 1300 CA LEU A 83 1.327 1.031 -2.966 1.00 12.44 C ATOM 1301 C LEU A 83 2.244 0.074 -2.236 1.00 2.01 C ATOM 1302 O LEU A 83 3.220 -0.420 -2.805 1.00 44.32 O ATOM 1303 CB LEU A 83 1.059 0.559 -4.398 1.00 11.33 C ATOM 1304 CG LEU A 83 0.140 -0.638 -4.555 1.00 2.24 C ATOM 1305 CD1 LEU A 83 -1.270 -0.296 -4.093 1.00 72.22 C ATOM 1306 CD2 LEU A 83 0.140 -1.126 -5.993 1.00 53.34 C ATOM 0 H LEU A 83 2.837 2.307 -3.551 1.00 15.51 H new ATOM 0 HA LEU A 83 0.364 1.090 -2.459 1.00 12.44 H new ATOM 0 HB2 LEU A 83 0.633 1.392 -4.958 1.00 11.33 H new ATOM 0 HB3 LEU A 83 2.015 0.318 -4.863 1.00 11.33 H new ATOM 0 HG LEU A 83 0.514 -1.445 -3.925 1.00 2.24 H new ATOM 0 HD11 LEU A 83 -1.914 -1.167 -4.214 1.00 72.22 H new ATOM 0 HD12 LEU A 83 -1.248 -0.004 -3.043 1.00 72.22 H new ATOM 0 HD13 LEU A 83 -1.659 0.528 -4.691 1.00 72.22 H new ATOM 0 HD21 LEU A 83 -0.525 -1.985 -6.086 1.00 53.34 H new ATOM 0 HD22 LEU A 83 -0.206 -0.327 -6.648 1.00 53.34 H new ATOM 0 HD23 LEU A 83 1.151 -1.417 -6.278 1.00 53.34 H new ATOM 1318 N ILE A 84 1.950 -0.162 -0.980 1.00 71.20 N ATOM 1319 CA ILE A 84 2.818 -0.945 -0.129 1.00 13.34 C ATOM 1320 C ILE A 84 2.383 -2.376 -0.154 1.00 72.33 C ATOM 1321 O ILE A 84 1.433 -2.742 0.493 1.00 30.24 O ATOM 1322 CB ILE A 84 2.783 -0.451 1.330 1.00 61.22 C ATOM 1323 CG1 ILE A 84 2.937 1.080 1.372 1.00 24.05 C ATOM 1324 CG2 ILE A 84 3.909 -1.131 2.120 1.00 31.11 C ATOM 1325 CD1 ILE A 84 2.848 1.689 2.752 1.00 4.23 C ATOM 0 H ILE A 84 1.107 0.181 -0.519 1.00 71.20 H new ATOM 0 HA ILE A 84 3.834 -0.840 -0.509 1.00 13.34 H new ATOM 0 HB ILE A 84 1.826 -0.709 1.782 1.00 61.22 H new ATOM 0 HG12 ILE A 84 3.899 1.346 0.934 1.00 24.05 H new ATOM 0 HG13 ILE A 84 2.166 1.526 0.743 1.00 24.05 H new ATOM 0 HG21 ILE A 84 3.889 -0.785 3.153 1.00 31.11 H new ATOM 0 HG22 ILE A 84 3.769 -2.212 2.096 1.00 31.11 H new ATOM 0 HG23 ILE A 84 4.871 -0.880 1.672 1.00 31.11 H new ATOM 0 HD11 ILE A 84 2.968 2.770 2.681 1.00 4.23 H new ATOM 0 HD12 ILE A 84 1.876 1.460 3.189 1.00 4.23 H new ATOM 0 HD13 ILE A 84 3.636 1.277 3.383 1.00 4.23 H new ATOM 1337 N GLN A 85 3.073 -3.150 -0.908 1.00 72.12 N ATOM 1338 CA GLN A 85 2.794 -4.500 -1.117 1.00 63.30 C ATOM 1339 C GLN A 85 3.624 -5.370 -0.195 1.00 14.23 C ATOM 1340 O GLN A 85 4.842 -5.519 -0.378 1.00 2.33 O ATOM 1341 CB GLN A 85 3.045 -4.868 -2.572 1.00 23.43 C ATOM 1342 CG GLN A 85 2.289 -4.018 -3.587 1.00 41.03 C ATOM 1343 CD GLN A 85 0.790 -4.117 -3.503 1.00 64.13 C ATOM 1344 OE1 GLN A 85 0.180 -4.973 -4.119 1.00 65.12 O ATOM 1345 NE2 GLN A 85 0.182 -3.220 -2.778 1.00 30.55 N ATOM 0 H GLN A 85 3.894 -2.827 -1.421 1.00 72.12 H new ATOM 0 HA GLN A 85 1.743 -4.675 -0.889 1.00 63.30 H new ATOM 0 HB2 GLN A 85 4.113 -4.785 -2.774 1.00 23.43 H new ATOM 0 HB3 GLN A 85 2.773 -5.913 -2.720 1.00 23.43 H new ATOM 0 HG2 GLN A 85 2.578 -2.976 -3.454 1.00 41.03 H new ATOM 0 HG3 GLN A 85 2.603 -4.310 -4.589 1.00 41.03 H new ATOM 0 HE21 GLN A 85 0.724 -2.518 -2.275 1.00 30.55 H new ATOM 0 HE22 GLN A 85 -0.836 -3.221 -2.714 1.00 30.55 H new ATOM 1354 N TRP A 86 2.982 -5.932 0.782 1.00 1.14 N ATOM 1355 CA TRP A 86 3.620 -6.824 1.702 1.00 44.45 C ATOM 1356 C TRP A 86 3.832 -8.200 1.141 1.00 61.01 C ATOM 1357 O TRP A 86 2.983 -8.750 0.445 1.00 50.54 O ATOM 1358 CB TRP A 86 2.776 -6.980 2.952 1.00 41.23 C ATOM 1359 CG TRP A 86 2.946 -5.899 3.922 1.00 35.32 C ATOM 1360 CD1 TRP A 86 2.378 -4.669 3.898 1.00 51.34 C ATOM 1361 CD2 TRP A 86 3.745 -5.967 5.093 1.00 35.51 C ATOM 1362 NE1 TRP A 86 2.787 -3.954 4.981 1.00 14.32 N ATOM 1363 CE2 TRP A 86 3.638 -4.740 5.738 1.00 20.34 C ATOM 1364 CE3 TRP A 86 4.553 -6.964 5.650 1.00 64.34 C ATOM 1365 CZ2 TRP A 86 4.310 -4.472 6.933 1.00 74.41 C ATOM 1366 CZ3 TRP A 86 5.211 -6.700 6.828 1.00 2.51 C ATOM 1367 CH2 TRP A 86 5.086 -5.463 7.456 1.00 42.52 C ATOM 0 H TRP A 86 1.990 -5.783 0.966 1.00 1.14 H new ATOM 0 HA TRP A 86 4.590 -6.377 1.918 1.00 44.45 H new ATOM 0 HB2 TRP A 86 1.726 -7.035 2.665 1.00 41.23 H new ATOM 0 HB3 TRP A 86 3.025 -7.927 3.431 1.00 41.23 H new ATOM 0 HD1 TRP A 86 1.703 -4.311 3.135 1.00 51.34 H new ATOM 0 HE1 TRP A 86 2.512 -2.996 5.199 1.00 14.32 H new ATOM 0 HE3 TRP A 86 4.658 -7.923 5.164 1.00 64.34 H new ATOM 0 HZ2 TRP A 86 4.218 -3.515 7.424 1.00 74.41 H new ATOM 0 HZ3 TRP A 86 5.833 -7.462 7.273 1.00 2.51 H new ATOM 0 HH2 TRP A 86 5.617 -5.285 8.380 1.00 42.52 H new ATOM 1378 N ILE A 87 4.997 -8.706 1.396 1.00 45.11 N ATOM 1379 CA ILE A 87 5.337 -10.080 1.181 1.00 2.33 C ATOM 1380 C ILE A 87 5.595 -10.587 2.590 1.00 44.35 C ATOM 1381 O ILE A 87 6.731 -10.531 3.089 1.00 5.03 O ATOM 1382 CB ILE A 87 6.615 -10.272 0.311 1.00 33.01 C ATOM 1383 CG1 ILE A 87 6.491 -9.490 -1.001 1.00 53.24 C ATOM 1384 CG2 ILE A 87 6.819 -11.757 0.011 1.00 55.23 C ATOM 1385 CD1 ILE A 87 7.704 -9.579 -1.906 1.00 44.41 C ATOM 0 H ILE A 87 5.767 -8.154 1.774 1.00 45.11 H new ATOM 0 HA ILE A 87 4.551 -10.605 0.639 1.00 2.33 H new ATOM 0 HB ILE A 87 7.475 -9.894 0.864 1.00 33.01 H new ATOM 0 HG12 ILE A 87 5.620 -9.855 -1.545 1.00 53.24 H new ATOM 0 HG13 ILE A 87 6.304 -8.442 -0.768 1.00 53.24 H new ATOM 0 HG21 ILE A 87 7.714 -11.886 -0.598 1.00 55.23 H new ATOM 0 HG22 ILE A 87 6.934 -12.305 0.946 1.00 55.23 H new ATOM 0 HG23 ILE A 87 5.954 -12.141 -0.530 1.00 55.23 H new ATOM 0 HD11 ILE A 87 7.527 -8.996 -2.810 1.00 44.41 H new ATOM 0 HD12 ILE A 87 8.576 -9.185 -1.385 1.00 44.41 H new ATOM 0 HD13 ILE A 87 7.882 -10.620 -2.175 1.00 44.41 H new ATOM 1397 N PRO A 88 4.520 -10.966 3.294 1.00 72.12 N ATOM 1398 CA PRO A 88 4.576 -11.247 4.721 1.00 52.05 C ATOM 1399 C PRO A 88 5.500 -12.377 5.105 1.00 74.21 C ATOM 1400 O PRO A 88 5.384 -13.498 4.627 1.00 31.25 O ATOM 1401 CB PRO A 88 3.143 -11.621 5.069 1.00 15.22 C ATOM 1402 CG PRO A 88 2.313 -11.069 3.970 1.00 42.13 C ATOM 1403 CD PRO A 88 3.162 -11.162 2.753 1.00 72.12 C ATOM 0 HA PRO A 88 4.972 -10.384 5.256 1.00 52.05 H new ATOM 0 HB2 PRO A 88 3.026 -12.702 5.144 1.00 15.22 H new ATOM 0 HB3 PRO A 88 2.850 -11.201 6.031 1.00 15.22 H new ATOM 0 HG2 PRO A 88 1.390 -11.637 3.850 1.00 42.13 H new ATOM 0 HG3 PRO A 88 2.028 -10.037 4.173 1.00 42.13 H new ATOM 0 HD2 PRO A 88 3.058 -12.128 2.259 1.00 72.12 H new ATOM 0 HD3 PRO A 88 2.904 -10.399 2.019 1.00 72.12 H new ATOM 1411 N ASP A 89 6.420 -12.067 5.967 1.00 62.11 N ATOM 1412 CA ASP A 89 7.314 -13.059 6.526 1.00 33.31 C ATOM 1413 C ASP A 89 6.629 -13.817 7.667 1.00 0.22 C ATOM 1414 O ASP A 89 7.018 -14.917 8.041 1.00 53.24 O ATOM 1415 CB ASP A 89 8.594 -12.397 7.029 1.00 23.53 C ATOM 1416 CG ASP A 89 9.625 -13.407 7.481 1.00 52.33 C ATOM 1417 OD1 ASP A 89 10.225 -14.067 6.613 1.00 61.33 O ATOM 1418 OD2 ASP A 89 9.831 -13.568 8.693 1.00 34.31 O ATOM 0 H ASP A 89 6.580 -11.119 6.309 1.00 62.11 H new ATOM 0 HA ASP A 89 7.572 -13.770 5.741 1.00 33.31 H new ATOM 0 HB2 ASP A 89 9.017 -11.780 6.236 1.00 23.53 H new ATOM 0 HB3 ASP A 89 8.354 -11.731 7.858 1.00 23.53 H new ATOM 1423 N THR A 90 5.548 -13.256 8.141 1.00 11.03 N ATOM 1424 CA THR A 90 4.939 -13.701 9.382 1.00 11.42 C ATOM 1425 C THR A 90 3.643 -14.467 9.091 1.00 74.20 C ATOM 1426 O THR A 90 2.779 -14.643 9.949 1.00 43.34 O ATOM 1427 CB THR A 90 4.653 -12.451 10.243 1.00 4.35 C ATOM 1428 OG1 THR A 90 5.732 -11.513 10.043 1.00 55.22 O ATOM 1429 CG2 THR A 90 4.610 -12.811 11.724 1.00 41.23 C ATOM 0 H THR A 90 5.062 -12.483 7.687 1.00 11.03 H new ATOM 0 HA THR A 90 5.608 -14.376 9.915 1.00 11.42 H new ATOM 0 HB THR A 90 3.691 -12.030 9.950 1.00 4.35 H new ATOM 0 HG1 THR A 90 5.570 -10.709 10.580 1.00 55.22 H new ATOM 0 HG21 THR A 90 4.407 -11.915 12.311 1.00 41.23 H new ATOM 0 HG22 THR A 90 3.822 -13.544 11.897 1.00 41.23 H new ATOM 0 HG23 THR A 90 5.570 -13.232 12.024 1.00 41.23 H new ATOM 1437 N ALA A 91 3.550 -14.959 7.888 1.00 2.33 N ATOM 1438 CA ALA A 91 2.385 -15.659 7.444 1.00 63.13 C ATOM 1439 C ALA A 91 2.779 -16.962 6.812 1.00 74.34 C ATOM 1440 O ALA A 91 3.971 -17.259 6.670 1.00 15.33 O ATOM 1441 CB ALA A 91 1.620 -14.815 6.461 1.00 41.44 C ATOM 0 H ALA A 91 4.286 -14.884 7.186 1.00 2.33 H new ATOM 0 HA ALA A 91 1.746 -15.864 8.303 1.00 63.13 H new ATOM 0 HB1 ALA A 91 0.734 -15.356 6.128 1.00 41.44 H new ATOM 0 HB2 ALA A 91 1.317 -13.883 6.939 1.00 41.44 H new ATOM 0 HB3 ALA A 91 2.253 -14.593 5.602 1.00 41.44 H new ATOM 1447 N ARG A 92 1.795 -17.717 6.425 1.00 41.12 N ATOM 1448 CA ARG A 92 1.996 -19.002 5.817 1.00 23.11 C ATOM 1449 C ARG A 92 1.987 -18.814 4.294 1.00 33.11 C ATOM 1450 O ARG A 92 1.532 -17.752 3.823 1.00 73.33 O ATOM 1451 CB ARG A 92 0.911 -20.029 6.290 1.00 42.42 C ATOM 1452 CG ARG A 92 0.958 -20.397 7.788 1.00 75.23 C ATOM 1453 CD ARG A 92 0.457 -19.265 8.666 1.00 22.33 C ATOM 1454 NE ARG A 92 0.627 -19.510 10.098 1.00 60.10 N ATOM 1455 CZ ARG A 92 0.414 -18.582 11.039 1.00 52.21 C ATOM 1456 NH1 ARG A 92 -0.069 -17.397 10.702 1.00 3.02 N ATOM 1457 NH2 ARG A 92 0.644 -18.852 12.314 1.00 34.55 N ATOM 0 H ARG A 92 0.814 -17.455 6.523 1.00 41.12 H new ATOM 0 HA ARG A 92 2.956 -19.417 6.123 1.00 23.11 H new ATOM 0 HB2 ARG A 92 -0.074 -19.621 6.064 1.00 42.42 H new ATOM 0 HB3 ARG A 92 1.020 -20.942 5.705 1.00 42.42 H new ATOM 0 HG2 ARG A 92 0.353 -21.287 7.962 1.00 75.23 H new ATOM 0 HG3 ARG A 92 1.981 -20.648 8.068 1.00 75.23 H new ATOM 0 HD2 ARG A 92 0.984 -18.349 8.398 1.00 22.33 H new ATOM 0 HD3 ARG A 92 -0.600 -19.097 8.458 1.00 22.33 H new ATOM 0 HE ARG A 92 0.924 -20.439 10.396 1.00 60.10 H new ATOM 0 HH11 ARG A 92 -0.279 -17.191 9.725 1.00 3.02 H new ATOM 0 HH12 ARG A 92 -0.231 -16.690 11.419 1.00 3.02 H new ATOM 0 HH21 ARG A 92 0.986 -19.773 12.586 1.00 34.55 H new ATOM 0 HH22 ARG A 92 0.479 -18.139 13.024 1.00 34.55 H new ATOM 1471 N PRO A 93 2.503 -19.810 3.506 1.00 64.12 N ATOM 1472 CA PRO A 93 2.622 -19.744 2.032 1.00 13.33 C ATOM 1473 C PRO A 93 1.484 -19.020 1.296 1.00 45.43 C ATOM 1474 O PRO A 93 1.760 -18.194 0.427 1.00 22.03 O ATOM 1475 CB PRO A 93 2.647 -21.216 1.656 1.00 32.10 C ATOM 1476 CG PRO A 93 3.464 -21.826 2.732 1.00 15.21 C ATOM 1477 CD PRO A 93 3.090 -21.092 3.999 1.00 33.30 C ATOM 0 HA PRO A 93 3.493 -19.157 1.740 1.00 13.33 H new ATOM 0 HB2 PRO A 93 1.644 -21.640 1.623 1.00 32.10 H new ATOM 0 HB3 PRO A 93 3.092 -21.373 0.674 1.00 32.10 H new ATOM 0 HG2 PRO A 93 3.258 -22.893 2.823 1.00 15.21 H new ATOM 0 HG3 PRO A 93 4.528 -21.724 2.521 1.00 15.21 H new ATOM 0 HD2 PRO A 93 2.373 -21.658 4.593 1.00 33.30 H new ATOM 0 HD3 PRO A 93 3.960 -20.917 4.632 1.00 33.30 H new ATOM 1485 N ARG A 94 0.229 -19.285 1.672 1.00 62.14 N ATOM 1486 CA ARG A 94 -0.937 -18.671 1.009 1.00 15.43 C ATOM 1487 C ARG A 94 -0.862 -17.134 0.966 1.00 31.12 C ATOM 1488 O ARG A 94 -1.016 -16.535 -0.092 1.00 64.23 O ATOM 1489 CB ARG A 94 -2.270 -19.116 1.651 1.00 21.32 C ATOM 1490 CG ARG A 94 -2.406 -18.805 3.145 1.00 42.34 C ATOM 1491 CD ARG A 94 -3.811 -19.069 3.641 1.00 33.12 C ATOM 1492 NE ARG A 94 -4.759 -18.112 3.078 1.00 75.23 N ATOM 1493 CZ ARG A 94 -5.939 -18.414 2.528 1.00 24.43 C ATOM 1494 NH1 ARG A 94 -6.322 -19.694 2.392 1.00 74.35 N ATOM 1495 NH2 ARG A 94 -6.722 -17.443 2.093 1.00 0.54 N ATOM 0 H ARG A 94 -0.011 -19.921 2.433 1.00 62.14 H new ATOM 0 HA ARG A 94 -0.908 -19.032 -0.019 1.00 15.43 H new ATOM 0 HB2 ARG A 94 -3.090 -18.634 1.119 1.00 21.32 H new ATOM 0 HB3 ARG A 94 -2.384 -20.190 1.507 1.00 21.32 H new ATOM 0 HG2 ARG A 94 -1.699 -19.413 3.710 1.00 42.34 H new ATOM 0 HG3 ARG A 94 -2.145 -17.762 3.326 1.00 42.34 H new ATOM 0 HD2 ARG A 94 -4.110 -20.082 3.372 1.00 33.12 H new ATOM 0 HD3 ARG A 94 -3.833 -19.009 4.729 1.00 33.12 H new ATOM 0 HE ARG A 94 -4.498 -17.126 3.107 1.00 75.23 H new ATOM 0 HH11 ARG A 94 -5.710 -20.446 2.710 1.00 74.35 H new ATOM 0 HH12 ARG A 94 -7.225 -19.914 1.971 1.00 74.35 H new ATOM 0 HH21 ARG A 94 -6.424 -16.471 2.178 1.00 0.54 H new ATOM 0 HH22 ARG A 94 -7.624 -17.665 1.672 1.00 0.54 H new ATOM 1509 N GLU A 95 -0.545 -16.518 2.089 1.00 53.34 N ATOM 1510 CA GLU A 95 -0.515 -15.067 2.181 1.00 70.53 C ATOM 1511 C GLU A 95 0.730 -14.538 1.523 1.00 55.31 C ATOM 1512 O GLU A 95 0.744 -13.444 0.987 1.00 52.32 O ATOM 1513 CB GLU A 95 -0.490 -14.643 3.633 1.00 33.01 C ATOM 1514 CG GLU A 95 -1.626 -15.184 4.481 1.00 11.41 C ATOM 1515 CD GLU A 95 -2.986 -14.796 3.976 1.00 14.41 C ATOM 1516 OE1 GLU A 95 -3.283 -13.594 3.897 1.00 4.23 O ATOM 1517 OE2 GLU A 95 -3.807 -15.696 3.724 1.00 53.21 O ATOM 0 H GLU A 95 -0.303 -17.000 2.955 1.00 53.34 H new ATOM 0 HA GLU A 95 -1.403 -14.673 1.686 1.00 70.53 H new ATOM 0 HB2 GLU A 95 0.455 -14.963 4.072 1.00 33.01 H new ATOM 0 HB3 GLU A 95 -0.510 -13.554 3.678 1.00 33.01 H new ATOM 0 HG2 GLU A 95 -1.557 -16.271 4.517 1.00 11.41 H new ATOM 0 HG3 GLU A 95 -1.510 -14.823 5.503 1.00 11.41 H new ATOM 1524 N LYS A 96 1.780 -15.310 1.577 1.00 62.15 N ATOM 1525 CA LYS A 96 3.028 -14.864 1.041 1.00 42.13 C ATOM 1526 C LYS A 96 3.014 -14.877 -0.510 1.00 44.52 C ATOM 1527 O LYS A 96 3.190 -13.833 -1.181 1.00 41.30 O ATOM 1528 CB LYS A 96 4.124 -15.794 1.555 1.00 25.55 C ATOM 1529 CG LYS A 96 4.248 -15.813 3.067 1.00 32.42 C ATOM 1530 CD LYS A 96 5.221 -16.879 3.563 1.00 20.40 C ATOM 1531 CE LYS A 96 6.600 -16.781 2.918 1.00 54.21 C ATOM 1532 NZ LYS A 96 7.261 -15.471 3.119 1.00 42.44 N ATOM 0 H LYS A 96 1.793 -16.245 1.985 1.00 62.15 H new ATOM 0 HA LYS A 96 3.209 -13.837 1.359 1.00 42.13 H new ATOM 0 HB2 LYS A 96 3.924 -16.806 1.203 1.00 25.55 H new ATOM 0 HB3 LYS A 96 5.078 -15.489 1.125 1.00 25.55 H new ATOM 0 HG2 LYS A 96 4.580 -14.834 3.413 1.00 32.42 H new ATOM 0 HG3 LYS A 96 3.266 -15.990 3.506 1.00 32.42 H new ATOM 0 HD2 LYS A 96 5.326 -16.791 4.644 1.00 20.40 H new ATOM 0 HD3 LYS A 96 4.802 -17.865 3.362 1.00 20.40 H new ATOM 0 HE2 LYS A 96 7.238 -17.566 3.325 1.00 54.21 H new ATOM 0 HE3 LYS A 96 6.505 -16.970 1.849 1.00 54.21 H new ATOM 0 HZ1 LYS A 96 7.372 -14.994 2.202 1.00 42.44 H new ATOM 0 HZ2 LYS A 96 6.679 -14.881 3.748 1.00 42.44 H new ATOM 0 HZ3 LYS A 96 8.197 -15.617 3.549 1.00 42.44 H new ATOM 1546 N MET A 97 2.677 -16.028 -1.069 1.00 52.02 N ATOM 1547 CA MET A 97 2.740 -16.220 -2.510 1.00 63.34 C ATOM 1548 C MET A 97 1.602 -15.572 -3.257 1.00 3.12 C ATOM 1549 O MET A 97 1.814 -14.975 -4.307 1.00 74.13 O ATOM 1550 CB MET A 97 2.900 -17.699 -2.912 1.00 1.14 C ATOM 1551 CG MET A 97 1.722 -18.595 -2.580 1.00 44.23 C ATOM 1552 SD MET A 97 2.034 -20.319 -2.986 1.00 42.53 S ATOM 1553 CE MET A 97 0.496 -21.062 -2.448 1.00 60.24 C ATOM 0 H MET A 97 2.357 -16.844 -0.547 1.00 52.02 H new ATOM 0 HA MET A 97 3.648 -15.700 -2.816 1.00 63.34 H new ATOM 0 HB2 MET A 97 3.081 -17.748 -3.986 1.00 1.14 H new ATOM 0 HB3 MET A 97 3.788 -18.097 -2.421 1.00 1.14 H new ATOM 0 HG2 MET A 97 1.493 -18.511 -1.518 1.00 44.23 H new ATOM 0 HG3 MET A 97 0.842 -18.250 -3.124 1.00 44.23 H new ATOM 0 HE1 MET A 97 0.527 -22.136 -2.631 1.00 60.24 H new ATOM 0 HE2 MET A 97 0.357 -20.880 -1.382 1.00 60.24 H new ATOM 0 HE3 MET A 97 -0.334 -20.623 -3.002 1.00 60.24 H new ATOM 1563 N MET A 98 0.396 -15.638 -2.709 1.00 24.13 N ATOM 1564 CA MET A 98 -0.747 -15.161 -3.457 1.00 62.00 C ATOM 1565 C MET A 98 -0.745 -13.654 -3.519 1.00 52.44 C ATOM 1566 O MET A 98 -1.075 -13.066 -4.537 1.00 72.45 O ATOM 1567 CB MET A 98 -2.054 -15.673 -2.881 1.00 21.53 C ATOM 1568 CG MET A 98 -3.170 -15.665 -3.895 1.00 23.25 C ATOM 1569 SD MET A 98 -2.766 -16.740 -5.292 1.00 70.24 S ATOM 1570 CE MET A 98 -4.202 -16.526 -6.311 1.00 51.45 C ATOM 0 H MET A 98 0.192 -16.005 -1.780 1.00 24.13 H new ATOM 0 HA MET A 98 -0.664 -15.554 -4.470 1.00 62.00 H new ATOM 0 HB2 MET A 98 -1.912 -16.688 -2.509 1.00 21.53 H new ATOM 0 HB3 MET A 98 -2.338 -15.058 -2.027 1.00 21.53 H new ATOM 0 HG2 MET A 98 -4.096 -15.999 -3.428 1.00 23.25 H new ATOM 0 HG3 MET A 98 -3.340 -14.648 -4.249 1.00 23.25 H new ATOM 0 HE1 MET A 98 -4.423 -17.459 -6.829 1.00 51.45 H new ATOM 0 HE2 MET A 98 -5.052 -16.247 -5.688 1.00 51.45 H new ATOM 0 HE3 MET A 98 -4.015 -15.740 -7.043 1.00 51.45 H new ATOM 1580 N TYR A 99 -0.315 -13.038 -2.444 1.00 62.22 N ATOM 1581 CA TYR A 99 -0.224 -11.596 -2.372 1.00 22.44 C ATOM 1582 C TYR A 99 0.921 -11.074 -3.230 1.00 70.42 C ATOM 1583 O TYR A 99 0.950 -9.904 -3.625 1.00 24.52 O ATOM 1584 CB TYR A 99 -0.177 -11.110 -0.920 1.00 74.35 C ATOM 1585 CG TYR A 99 -1.507 -11.314 -0.197 1.00 4.44 C ATOM 1586 CD1 TYR A 99 -2.027 -12.589 0.018 1.00 55.25 C ATOM 1587 CD2 TYR A 99 -2.248 -10.236 0.248 1.00 64.01 C ATOM 1588 CE1 TYR A 99 -3.233 -12.778 0.638 1.00 11.02 C ATOM 1589 CE2 TYR A 99 -3.457 -10.422 0.879 1.00 74.35 C ATOM 1590 CZ TYR A 99 -3.943 -11.694 1.068 1.00 31.22 C ATOM 1591 OH TYR A 99 -5.151 -11.874 1.680 1.00 23.01 O ATOM 0 H TYR A 99 -0.018 -13.519 -1.595 1.00 62.22 H new ATOM 0 HA TYR A 99 -1.134 -11.170 -2.795 1.00 22.44 H new ATOM 0 HB2 TYR A 99 0.610 -11.643 -0.386 1.00 74.35 H new ATOM 0 HB3 TYR A 99 0.086 -10.052 -0.902 1.00 74.35 H new ATOM 0 HD1 TYR A 99 -1.465 -13.450 -0.313 1.00 55.25 H new ATOM 0 HD2 TYR A 99 -1.874 -9.234 0.099 1.00 64.01 H new ATOM 0 HE1 TYR A 99 -3.619 -13.776 0.786 1.00 11.02 H new ATOM 0 HE2 TYR A 99 -4.023 -9.570 1.225 1.00 74.35 H new ATOM 0 HH TYR A 99 -5.258 -11.211 2.393 1.00 23.01 H new ATOM 1601 N SER A 100 1.901 -11.916 -3.473 1.00 1.41 N ATOM 1602 CA SER A 100 2.926 -11.599 -4.440 1.00 64.45 C ATOM 1603 C SER A 100 2.347 -11.677 -5.882 1.00 63.01 C ATOM 1604 O SER A 100 2.699 -10.892 -6.757 1.00 73.43 O ATOM 1605 CB SER A 100 4.123 -12.531 -4.264 1.00 22.54 C ATOM 1606 OG SER A 100 4.660 -12.411 -2.949 1.00 4.14 O ATOM 0 H SER A 100 2.009 -12.822 -3.016 1.00 1.41 H new ATOM 0 HA SER A 100 3.272 -10.578 -4.275 1.00 64.45 H new ATOM 0 HB2 SER A 100 3.819 -13.562 -4.446 1.00 22.54 H new ATOM 0 HB3 SER A 100 4.890 -12.290 -5.000 1.00 22.54 H new ATOM 0 HG SER A 100 4.173 -13.005 -2.341 1.00 4.14 H new ATOM 1612 N ALA A 101 1.407 -12.577 -6.080 1.00 0.33 N ATOM 1613 CA ALA A 101 0.827 -12.840 -7.391 1.00 22.53 C ATOM 1614 C ALA A 101 -0.240 -11.813 -7.828 1.00 31.31 C ATOM 1615 O ALA A 101 -0.513 -11.670 -9.020 1.00 54.13 O ATOM 1616 CB ALA A 101 0.238 -14.229 -7.402 1.00 54.53 C ATOM 0 H ALA A 101 1.018 -13.153 -5.334 1.00 0.33 H new ATOM 0 HA ALA A 101 1.638 -12.751 -8.114 1.00 22.53 H new ATOM 0 HB1 ALA A 101 -0.198 -14.432 -8.380 1.00 54.53 H new ATOM 0 HB2 ALA A 101 1.022 -14.958 -7.195 1.00 54.53 H new ATOM 0 HB3 ALA A 101 -0.536 -14.302 -6.638 1.00 54.53 H new ATOM 1622 N SER A 102 -0.843 -11.126 -6.895 1.00 41.44 N ATOM 1623 CA SER A 102 -1.912 -10.188 -7.211 1.00 1.31 C ATOM 1624 C SER A 102 -1.441 -8.721 -7.300 1.00 0.33 C ATOM 1625 O SER A 102 -2.229 -7.816 -7.632 1.00 54.21 O ATOM 1626 CB SER A 102 -2.973 -10.341 -6.138 1.00 51.54 C ATOM 1627 OG SER A 102 -2.358 -10.331 -4.855 1.00 74.43 O ATOM 0 H SER A 102 -0.618 -11.192 -5.902 1.00 41.44 H new ATOM 0 HA SER A 102 -2.300 -10.423 -8.202 1.00 1.31 H new ATOM 0 HB2 SER A 102 -3.698 -9.531 -6.211 1.00 51.54 H new ATOM 0 HB3 SER A 102 -3.520 -11.273 -6.283 1.00 51.54 H new ATOM 0 HG SER A 102 -2.050 -11.235 -4.633 1.00 74.43 H new ATOM 1633 N ARG A 103 -0.168 -8.485 -7.052 1.00 50.22 N ATOM 1634 CA ARG A 103 0.318 -7.115 -6.945 1.00 61.21 C ATOM 1635 C ARG A 103 0.470 -6.410 -8.274 1.00 52.40 C ATOM 1636 O ARG A 103 0.252 -5.213 -8.346 1.00 3.30 O ATOM 1637 CB ARG A 103 1.591 -7.021 -6.126 1.00 51.12 C ATOM 1638 CG ARG A 103 2.790 -7.743 -6.697 1.00 51.32 C ATOM 1639 CD ARG A 103 3.888 -7.770 -5.677 1.00 75.35 C ATOM 1640 NE ARG A 103 3.381 -8.372 -4.445 1.00 10.52 N ATOM 1641 CZ ARG A 103 3.867 -8.203 -3.235 1.00 22.12 C ATOM 1642 NH1 ARG A 103 4.964 -7.468 -3.038 1.00 34.33 N ATOM 1643 NH2 ARG A 103 3.242 -8.770 -2.220 1.00 14.42 N ATOM 0 H ARG A 103 0.541 -9.207 -6.922 1.00 50.22 H new ATOM 0 HA ARG A 103 -0.468 -6.581 -6.411 1.00 61.21 H new ATOM 0 HB2 ARG A 103 1.847 -5.968 -6.005 1.00 51.12 H new ATOM 0 HB3 ARG A 103 1.391 -7.417 -5.130 1.00 51.12 H new ATOM 0 HG2 ARG A 103 2.516 -8.760 -6.979 1.00 51.32 H new ATOM 0 HG3 ARG A 103 3.132 -7.242 -7.603 1.00 51.32 H new ATOM 0 HD2 ARG A 103 4.737 -8.341 -6.053 1.00 75.35 H new ATOM 0 HD3 ARG A 103 4.245 -6.759 -5.482 1.00 75.35 H new ATOM 0 HE ARG A 103 2.570 -8.984 -4.533 1.00 10.52 H new ATOM 0 HH11 ARG A 103 5.434 -7.031 -3.831 1.00 34.33 H new ATOM 0 HH12 ARG A 103 5.332 -7.344 -2.095 1.00 34.33 H new ATOM 0 HH21 ARG A 103 2.402 -9.324 -2.384 1.00 14.42 H new ATOM 0 HH22 ARG A 103 3.599 -8.654 -1.272 1.00 14.42 H new ATOM 1657 N ASP A 104 0.820 -7.132 -9.323 1.00 40.12 N ATOM 1658 CA ASP A 104 1.001 -6.510 -10.638 1.00 53.33 C ATOM 1659 C ASP A 104 -0.306 -5.951 -11.158 1.00 74.11 C ATOM 1660 O ASP A 104 -0.357 -4.829 -11.685 1.00 35.13 O ATOM 1661 CB ASP A 104 1.614 -7.475 -11.647 1.00 25.24 C ATOM 1662 CG ASP A 104 1.674 -6.885 -13.036 1.00 22.11 C ATOM 1663 OD1 ASP A 104 2.451 -5.945 -13.268 1.00 55.40 O ATOM 1664 OD2 ASP A 104 0.919 -7.333 -13.919 1.00 11.10 O ATOM 0 H ASP A 104 0.985 -8.138 -9.300 1.00 40.12 H new ATOM 0 HA ASP A 104 1.702 -5.686 -10.508 1.00 53.33 H new ATOM 0 HB2 ASP A 104 2.620 -7.745 -11.325 1.00 25.24 H new ATOM 0 HB3 ASP A 104 1.029 -8.395 -11.670 1.00 25.24 H new ATOM 1669 N ALA A 105 -1.368 -6.707 -10.968 1.00 31.00 N ATOM 1670 CA ALA A 105 -2.693 -6.274 -11.354 1.00 64.42 C ATOM 1671 C ALA A 105 -3.069 -5.016 -10.579 1.00 65.21 C ATOM 1672 O ALA A 105 -3.543 -4.036 -11.153 1.00 5.15 O ATOM 1673 CB ALA A 105 -3.698 -7.380 -11.110 1.00 43.14 C ATOM 0 H ALA A 105 -1.336 -7.634 -10.544 1.00 31.00 H new ATOM 0 HA ALA A 105 -2.700 -6.041 -12.419 1.00 64.42 H new ATOM 0 HB1 ALA A 105 -4.691 -7.041 -11.405 1.00 43.14 H new ATOM 0 HB2 ALA A 105 -3.425 -8.256 -11.698 1.00 43.14 H new ATOM 0 HB3 ALA A 105 -3.703 -7.640 -10.052 1.00 43.14 H new ATOM 1679 N LEU A 106 -2.782 -5.016 -9.292 1.00 45.33 N ATOM 1680 CA LEU A 106 -3.072 -3.867 -8.457 1.00 64.13 C ATOM 1681 C LEU A 106 -2.172 -2.681 -8.827 1.00 52.51 C ATOM 1682 O LEU A 106 -2.596 -1.537 -8.781 1.00 51.22 O ATOM 1683 CB LEU A 106 -2.938 -4.223 -6.984 1.00 43.31 C ATOM 1684 CG LEU A 106 -3.269 -3.115 -5.981 1.00 4.32 C ATOM 1685 CD1 LEU A 106 -4.715 -2.681 -6.115 1.00 21.15 C ATOM 1686 CD2 LEU A 106 -2.987 -3.585 -4.574 1.00 55.54 C ATOM 0 H LEU A 106 -2.348 -5.798 -8.802 1.00 45.33 H new ATOM 0 HA LEU A 106 -4.105 -3.568 -8.635 1.00 64.13 H new ATOM 0 HB2 LEU A 106 -3.587 -5.074 -6.778 1.00 43.31 H new ATOM 0 HB3 LEU A 106 -1.914 -4.552 -6.804 1.00 43.31 H new ATOM 0 HG LEU A 106 -2.636 -2.255 -6.197 1.00 4.32 H new ATOM 0 HD11 LEU A 106 -4.927 -1.893 -5.392 1.00 21.15 H new ATOM 0 HD12 LEU A 106 -4.890 -2.305 -7.123 1.00 21.15 H new ATOM 0 HD13 LEU A 106 -5.369 -3.532 -5.926 1.00 21.15 H new ATOM 0 HD21 LEU A 106 -3.226 -2.788 -3.869 1.00 55.54 H new ATOM 0 HD22 LEU A 106 -3.598 -4.460 -4.353 1.00 55.54 H new ATOM 0 HD23 LEU A 106 -1.933 -3.846 -4.482 1.00 55.54 H new ATOM 1698 N SER A 107 -0.953 -2.962 -9.232 1.00 32.23 N ATOM 1699 CA SER A 107 -0.031 -1.921 -9.658 1.00 44.51 C ATOM 1700 C SER A 107 -0.521 -1.277 -10.961 1.00 20.11 C ATOM 1701 O SER A 107 -0.275 -0.097 -11.217 1.00 30.25 O ATOM 1702 CB SER A 107 1.384 -2.487 -9.826 1.00 4.11 C ATOM 1703 OG SER A 107 1.854 -3.068 -8.610 1.00 1.05 O ATOM 0 H SER A 107 -0.572 -3.907 -9.277 1.00 32.23 H new ATOM 0 HA SER A 107 0.004 -1.151 -8.887 1.00 44.51 H new ATOM 0 HB2 SER A 107 1.387 -3.238 -10.616 1.00 4.11 H new ATOM 0 HB3 SER A 107 2.062 -1.693 -10.139 1.00 4.11 H new ATOM 0 HG SER A 107 1.549 -3.998 -8.552 1.00 1.05 H new ATOM 1709 N SER A 108 -1.261 -2.052 -11.748 1.00 31.31 N ATOM 1710 CA SER A 108 -1.809 -1.581 -12.999 1.00 63.11 C ATOM 1711 C SER A 108 -2.891 -0.517 -12.726 1.00 73.01 C ATOM 1712 O SER A 108 -2.870 0.569 -13.316 1.00 64.43 O ATOM 1713 CB SER A 108 -2.377 -2.763 -13.798 1.00 20.20 C ATOM 1714 OG SER A 108 -1.395 -3.806 -13.946 1.00 4.51 O ATOM 0 H SER A 108 -1.493 -3.021 -11.530 1.00 31.31 H new ATOM 0 HA SER A 108 -1.021 -1.119 -13.594 1.00 63.11 H new ATOM 0 HB2 SER A 108 -3.259 -3.158 -13.293 1.00 20.20 H new ATOM 0 HB3 SER A 108 -2.700 -2.420 -14.781 1.00 20.20 H new ATOM 0 HG SER A 108 -1.267 -4.259 -13.086 1.00 4.51 H new ATOM 1720 N VAL A 109 -3.796 -0.806 -11.783 1.00 40.21 N ATOM 1721 CA VAL A 109 -4.848 0.148 -11.427 1.00 24.43 C ATOM 1722 C VAL A 109 -4.321 1.321 -10.607 1.00 64.05 C ATOM 1723 O VAL A 109 -4.885 2.425 -10.633 1.00 50.11 O ATOM 1724 CB VAL A 109 -6.066 -0.497 -10.710 1.00 44.23 C ATOM 1725 CG1 VAL A 109 -6.852 -1.346 -11.677 1.00 11.34 C ATOM 1726 CG2 VAL A 109 -5.642 -1.323 -9.511 1.00 0.01 C ATOM 0 H VAL A 109 -3.820 -1.681 -11.260 1.00 40.21 H new ATOM 0 HA VAL A 109 -5.203 0.526 -12.386 1.00 24.43 H new ATOM 0 HB VAL A 109 -6.699 0.312 -10.345 1.00 44.23 H new ATOM 0 HG11 VAL A 109 -7.703 -1.792 -11.161 1.00 11.34 H new ATOM 0 HG12 VAL A 109 -7.210 -0.725 -12.498 1.00 11.34 H new ATOM 0 HG13 VAL A 109 -6.212 -2.135 -12.071 1.00 11.34 H new ATOM 0 HG21 VAL A 109 -6.523 -1.757 -9.038 1.00 0.01 H new ATOM 0 HG22 VAL A 109 -4.975 -2.121 -9.837 1.00 0.01 H new ATOM 0 HG23 VAL A 109 -5.123 -0.686 -8.795 1.00 0.01 H new ATOM 1736 N SER A 110 -3.231 1.100 -9.913 1.00 24.50 N ATOM 1737 CA SER A 110 -2.659 2.110 -9.069 1.00 23.01 C ATOM 1738 C SER A 110 -1.782 3.101 -9.852 1.00 34.31 C ATOM 1739 O SER A 110 -0.547 3.020 -9.852 1.00 64.05 O ATOM 1740 CB SER A 110 -1.909 1.472 -7.913 1.00 61.13 C ATOM 1741 OG SER A 110 -2.770 0.618 -7.180 1.00 43.15 O ATOM 0 H SER A 110 -2.720 0.217 -9.920 1.00 24.50 H new ATOM 0 HA SER A 110 -3.477 2.699 -8.656 1.00 23.01 H new ATOM 0 HB2 SER A 110 -1.059 0.905 -8.291 1.00 61.13 H new ATOM 0 HB3 SER A 110 -1.510 2.246 -7.258 1.00 61.13 H new ATOM 0 HG SER A 110 -2.734 -0.285 -7.558 1.00 43.15 H new ATOM 1747 N GLU A 111 -2.446 3.966 -10.585 1.00 54.21 N ATOM 1748 CA GLU A 111 -1.819 5.036 -11.330 1.00 52.20 C ATOM 1749 C GLU A 111 -1.329 6.106 -10.355 1.00 71.41 C ATOM 1750 O GLU A 111 -2.100 6.559 -9.507 1.00 31.00 O ATOM 1751 CB GLU A 111 -2.836 5.643 -12.291 1.00 13.31 C ATOM 1752 CG GLU A 111 -2.293 6.747 -13.168 1.00 13.12 C ATOM 1753 CD GLU A 111 -3.365 7.404 -13.980 1.00 62.45 C ATOM 1754 OE1 GLU A 111 -3.679 6.926 -15.082 1.00 60.12 O ATOM 1755 OE2 GLU A 111 -3.929 8.417 -13.528 1.00 40.51 O ATOM 0 H GLU A 111 -3.461 3.945 -10.682 1.00 54.21 H new ATOM 0 HA GLU A 111 -0.973 4.647 -11.897 1.00 52.20 H new ATOM 0 HB2 GLU A 111 -3.231 4.852 -12.928 1.00 13.31 H new ATOM 0 HB3 GLU A 111 -3.673 6.035 -11.713 1.00 13.31 H new ATOM 0 HG2 GLU A 111 -1.802 7.495 -12.545 1.00 13.12 H new ATOM 0 HG3 GLU A 111 -1.534 6.339 -13.835 1.00 13.12 H new ATOM 1762 N GLY A 112 -0.071 6.485 -10.463 1.00 54.24 N ATOM 1763 CA GLY A 112 0.485 7.512 -9.592 1.00 11.13 C ATOM 1764 C GLY A 112 0.990 6.952 -8.282 1.00 41.43 C ATOM 1765 O GLY A 112 1.407 7.699 -7.392 1.00 62.13 O ATOM 0 H GLY A 112 0.587 6.101 -11.141 1.00 54.24 H new ATOM 0 HA2 GLY A 112 1.303 8.016 -10.107 1.00 11.13 H new ATOM 0 HA3 GLY A 112 -0.277 8.265 -9.391 1.00 11.13 H new ATOM 1769 N TYR A 113 0.944 5.644 -8.164 1.00 42.44 N ATOM 1770 CA TYR A 113 1.385 4.961 -6.971 1.00 11.45 C ATOM 1771 C TYR A 113 2.755 4.405 -7.169 1.00 72.31 C ATOM 1772 O TYR A 113 3.066 3.879 -8.235 1.00 55.54 O ATOM 1773 CB TYR A 113 0.448 3.820 -6.595 1.00 2.25 C ATOM 1774 CG TYR A 113 -0.902 4.233 -6.060 1.00 54.25 C ATOM 1775 CD1 TYR A 113 -1.788 4.962 -6.830 1.00 40.33 C ATOM 1776 CD2 TYR A 113 -1.294 3.866 -4.785 1.00 12.44 C ATOM 1777 CE1 TYR A 113 -3.017 5.321 -6.351 1.00 73.03 C ATOM 1778 CE2 TYR A 113 -2.527 4.221 -4.297 1.00 22.13 C ATOM 1779 CZ TYR A 113 -3.384 4.951 -5.086 1.00 33.55 C ATOM 1780 OH TYR A 113 -4.607 5.315 -4.609 1.00 71.02 O ATOM 0 H TYR A 113 0.598 5.023 -8.896 1.00 42.44 H new ATOM 0 HA TYR A 113 1.387 5.695 -6.165 1.00 11.45 H new ATOM 0 HB2 TYR A 113 0.294 3.195 -7.475 1.00 2.25 H new ATOM 0 HB3 TYR A 113 0.941 3.200 -5.846 1.00 2.25 H new ATOM 0 HD1 TYR A 113 -1.504 5.254 -7.830 1.00 40.33 H new ATOM 0 HD2 TYR A 113 -0.621 3.292 -4.165 1.00 12.44 H new ATOM 0 HE1 TYR A 113 -3.694 5.893 -6.968 1.00 73.03 H new ATOM 0 HE2 TYR A 113 -2.822 3.929 -3.300 1.00 22.13 H new ATOM 0 HH TYR A 113 -5.157 5.656 -5.345 1.00 71.02 H new ATOM 1790 N LEU A 114 3.577 4.531 -6.177 1.00 33.41 N ATOM 1791 CA LEU A 114 4.886 3.955 -6.221 1.00 44.32 C ATOM 1792 C LEU A 114 4.810 2.573 -5.600 1.00 31.32 C ATOM 1793 O LEU A 114 4.435 2.451 -4.423 1.00 70.44 O ATOM 1794 CB LEU A 114 5.930 4.826 -5.472 1.00 11.25 C ATOM 1795 CG LEU A 114 6.326 6.186 -6.105 1.00 21.41 C ATOM 1796 CD1 LEU A 114 5.172 7.179 -6.131 1.00 10.11 C ATOM 1797 CD2 LEU A 114 7.511 6.781 -5.373 1.00 53.12 C ATOM 0 H LEU A 114 3.363 5.034 -5.316 1.00 33.41 H new ATOM 0 HA LEU A 114 5.215 3.896 -7.259 1.00 44.32 H new ATOM 0 HB2 LEU A 114 5.546 5.022 -4.471 1.00 11.25 H new ATOM 0 HB3 LEU A 114 6.838 4.234 -5.355 1.00 11.25 H new ATOM 0 HG LEU A 114 6.599 5.986 -7.141 1.00 21.41 H new ATOM 0 HD11 LEU A 114 5.505 8.113 -6.584 1.00 10.11 H new ATOM 0 HD12 LEU A 114 4.349 6.766 -6.715 1.00 10.11 H new ATOM 0 HD13 LEU A 114 4.834 7.371 -5.113 1.00 10.11 H new ATOM 0 HD21 LEU A 114 7.778 7.735 -5.828 1.00 53.12 H new ATOM 0 HD22 LEU A 114 7.251 6.938 -4.326 1.00 53.12 H new ATOM 0 HD23 LEU A 114 8.358 6.099 -5.437 1.00 53.12 H new ATOM 1809 N PRO A 115 5.071 1.507 -6.379 1.00 4.34 N ATOM 1810 CA PRO A 115 5.064 0.152 -5.852 1.00 13.03 C ATOM 1811 C PRO A 115 6.238 -0.042 -4.916 1.00 12.03 C ATOM 1812 O PRO A 115 7.404 0.053 -5.324 1.00 1.33 O ATOM 1813 CB PRO A 115 5.215 -0.743 -7.098 1.00 54.20 C ATOM 1814 CG PRO A 115 4.975 0.158 -8.262 1.00 3.22 C ATOM 1815 CD PRO A 115 5.386 1.529 -7.816 1.00 71.32 C ATOM 0 HA PRO A 115 4.162 -0.077 -5.285 1.00 13.03 H new ATOM 0 HB2 PRO A 115 6.209 -1.189 -7.144 1.00 54.20 H new ATOM 0 HB3 PRO A 115 4.498 -1.564 -7.082 1.00 54.20 H new ATOM 0 HG2 PRO A 115 5.555 -0.161 -9.128 1.00 3.22 H new ATOM 0 HG3 PRO A 115 3.926 0.142 -8.558 1.00 3.22 H new ATOM 0 HD2 PRO A 115 6.445 1.713 -7.996 1.00 71.32 H new ATOM 0 HD3 PRO A 115 4.833 2.309 -8.340 1.00 71.32 H new ATOM 1823 N ILE A 116 5.940 -0.287 -3.684 1.00 33.10 N ATOM 1824 CA ILE A 116 6.942 -0.452 -2.690 1.00 41.03 C ATOM 1825 C ILE A 116 6.643 -1.726 -1.918 1.00 60.52 C ATOM 1826 O ILE A 116 5.485 -2.024 -1.606 1.00 51.32 O ATOM 1827 CB ILE A 116 7.038 0.823 -1.781 1.00 74.54 C ATOM 1828 CG1 ILE A 116 8.161 0.715 -0.746 1.00 32.03 C ATOM 1829 CG2 ILE A 116 5.708 1.149 -1.110 1.00 31.34 C ATOM 1830 CD1 ILE A 116 8.350 1.988 0.055 1.00 5.14 C ATOM 0 H ILE A 116 4.985 -0.379 -3.338 1.00 33.10 H new ATOM 0 HA ILE A 116 7.927 -0.558 -3.145 1.00 41.03 H new ATOM 0 HB ILE A 116 7.285 1.651 -2.445 1.00 74.54 H new ATOM 0 HG12 ILE A 116 7.943 -0.108 -0.065 1.00 32.03 H new ATOM 0 HG13 ILE A 116 9.094 0.469 -1.254 1.00 32.03 H new ATOM 0 HG21 ILE A 116 5.821 2.039 -0.491 1.00 31.34 H new ATOM 0 HG22 ILE A 116 4.951 1.332 -1.873 1.00 31.34 H new ATOM 0 HG23 ILE A 116 5.400 0.310 -0.486 1.00 31.34 H new ATOM 0 HD11 ILE A 116 9.159 1.850 0.772 1.00 5.14 H new ATOM 0 HD12 ILE A 116 8.598 2.808 -0.619 1.00 5.14 H new ATOM 0 HD13 ILE A 116 7.429 2.222 0.589 1.00 5.14 H new ATOM 1842 N GLN A 117 7.652 -2.500 -1.677 1.00 71.52 N ATOM 1843 CA GLN A 117 7.484 -3.792 -1.077 1.00 75.53 C ATOM 1844 C GLN A 117 7.857 -3.779 0.376 1.00 54.33 C ATOM 1845 O GLN A 117 8.848 -3.171 0.768 1.00 54.43 O ATOM 1846 CB GLN A 117 8.278 -4.883 -1.829 1.00 3.53 C ATOM 1847 CG GLN A 117 7.729 -5.256 -3.217 1.00 61.12 C ATOM 1848 CD GLN A 117 7.818 -4.158 -4.280 1.00 35.04 C ATOM 1849 OE1 GLN A 117 6.965 -4.078 -5.158 1.00 3.00 O ATOM 1850 NE2 GLN A 117 8.854 -3.344 -4.244 1.00 12.45 N ATOM 0 H GLN A 117 8.620 -2.257 -1.890 1.00 71.52 H new ATOM 0 HA GLN A 117 6.425 -4.037 -1.153 1.00 75.53 H new ATOM 0 HB2 GLN A 117 9.308 -4.546 -1.942 1.00 3.53 H new ATOM 0 HB3 GLN A 117 8.302 -5.782 -1.212 1.00 3.53 H new ATOM 0 HG2 GLN A 117 8.269 -6.131 -3.578 1.00 61.12 H new ATOM 0 HG3 GLN A 117 6.684 -5.548 -3.108 1.00 61.12 H new ATOM 0 HE21 GLN A 117 9.548 -3.434 -3.502 1.00 12.45 H new ATOM 0 HE22 GLN A 117 8.962 -2.624 -4.958 1.00 12.45 H new ATOM 1859 N ALA A 118 7.057 -4.433 1.169 1.00 42.41 N ATOM 1860 CA ALA A 118 7.306 -4.545 2.570 1.00 45.43 C ATOM 1861 C ALA A 118 7.379 -6.007 2.945 1.00 54.33 C ATOM 1862 O ALA A 118 6.499 -6.775 2.602 1.00 3.43 O ATOM 1863 CB ALA A 118 6.196 -3.867 3.339 1.00 50.24 C ATOM 0 H ALA A 118 6.209 -4.905 0.855 1.00 42.41 H new ATOM 0 HA ALA A 118 8.251 -4.061 2.816 1.00 45.43 H new ATOM 0 HB1 ALA A 118 6.388 -3.954 4.408 1.00 50.24 H new ATOM 0 HB2 ALA A 118 6.153 -2.814 3.063 1.00 50.24 H new ATOM 0 HB3 ALA A 118 5.245 -4.344 3.102 1.00 50.24 H new ATOM 1869 N ASN A 119 8.450 -6.403 3.564 1.00 64.51 N ATOM 1870 CA ASN A 119 8.595 -7.777 4.065 1.00 51.22 C ATOM 1871 C ASN A 119 8.715 -7.729 5.559 1.00 33.42 C ATOM 1872 O ASN A 119 8.583 -8.745 6.246 1.00 73.10 O ATOM 1873 CB ASN A 119 9.844 -8.505 3.502 1.00 32.12 C ATOM 1874 CG ASN A 119 9.820 -8.842 2.010 1.00 64.33 C ATOM 1875 OD1 ASN A 119 10.356 -9.867 1.598 1.00 30.22 O ATOM 1876 ND2 ASN A 119 9.251 -7.990 1.192 1.00 35.05 N ATOM 0 H ASN A 119 9.255 -5.803 3.746 1.00 64.51 H new ATOM 0 HA ASN A 119 7.716 -8.333 3.738 1.00 51.22 H new ATOM 0 HB2 ASN A 119 10.718 -7.884 3.698 1.00 32.12 H new ATOM 0 HB3 ASN A 119 9.979 -9.432 4.059 1.00 32.12 H new ATOM 0 HD21 ASN A 119 9.247 -8.172 0.188 1.00 35.05 H new ATOM 0 HD22 ASN A 119 8.812 -7.146 1.559 1.00 35.05 H new ATOM 1883 N ASP A 120 8.964 -6.536 6.055 1.00 72.21 N ATOM 1884 CA ASP A 120 9.176 -6.282 7.461 1.00 53.11 C ATOM 1885 C ASP A 120 8.441 -4.989 7.802 1.00 23.30 C ATOM 1886 O ASP A 120 7.994 -4.286 6.873 1.00 32.31 O ATOM 1887 CB ASP A 120 10.695 -6.136 7.720 1.00 22.33 C ATOM 1888 CG ASP A 120 11.062 -6.005 9.181 1.00 0.44 C ATOM 1889 OD1 ASP A 120 11.278 -7.043 9.845 1.00 12.14 O ATOM 1890 OD2 ASP A 120 11.146 -4.871 9.690 1.00 22.43 O ATOM 0 H ASP A 120 9.026 -5.698 5.477 1.00 72.21 H new ATOM 0 HA ASP A 120 8.801 -7.096 8.081 1.00 53.11 H new ATOM 0 HB2 ASP A 120 11.209 -7.003 7.304 1.00 22.33 H new ATOM 0 HB3 ASP A 120 11.062 -5.260 7.184 1.00 22.33 H new ATOM 1895 N GLU A 121 8.315 -4.670 9.098 1.00 41.10 N ATOM 1896 CA GLU A 121 7.608 -3.469 9.603 1.00 2.12 C ATOM 1897 C GLU A 121 8.104 -2.183 8.907 1.00 60.21 C ATOM 1898 O GLU A 121 7.342 -1.227 8.711 1.00 54.11 O ATOM 1899 CB GLU A 121 7.846 -3.330 11.114 1.00 40.20 C ATOM 1900 CG GLU A 121 7.013 -2.239 11.778 1.00 53.42 C ATOM 1901 CD GLU A 121 7.471 -1.915 13.177 1.00 31.23 C ATOM 1902 OE1 GLU A 121 7.391 -2.772 14.069 1.00 45.44 O ATOM 1903 OE2 GLU A 121 7.906 -0.771 13.415 1.00 74.33 O ATOM 0 H GLU A 121 8.706 -5.245 9.844 1.00 41.10 H new ATOM 0 HA GLU A 121 6.547 -3.595 9.389 1.00 2.12 H new ATOM 0 HB2 GLU A 121 7.626 -4.283 11.595 1.00 40.20 H new ATOM 0 HB3 GLU A 121 8.902 -3.122 11.287 1.00 40.20 H new ATOM 0 HG2 GLU A 121 7.057 -1.336 11.169 1.00 53.42 H new ATOM 0 HG3 GLU A 121 5.970 -2.554 11.807 1.00 53.42 H new ATOM 1910 N SER A 122 9.358 -2.202 8.499 1.00 70.35 N ATOM 1911 CA SER A 122 10.032 -1.082 7.876 1.00 41.35 C ATOM 1912 C SER A 122 9.357 -0.642 6.568 1.00 33.34 C ATOM 1913 O SER A 122 9.428 0.522 6.191 1.00 32.43 O ATOM 1914 CB SER A 122 11.480 -1.474 7.646 1.00 51.11 C ATOM 1915 OG SER A 122 11.541 -2.776 7.077 1.00 13.25 O ATOM 0 H SER A 122 9.954 -3.024 8.596 1.00 70.35 H new ATOM 0 HA SER A 122 9.975 -0.219 8.539 1.00 41.35 H new ATOM 0 HB2 SER A 122 11.960 -0.754 6.983 1.00 51.11 H new ATOM 0 HB3 SER A 122 12.026 -1.453 8.589 1.00 51.11 H new ATOM 0 HG SER A 122 12.477 -3.025 6.929 1.00 13.25 H new ATOM 1921 N GLY A 123 8.657 -1.559 5.917 1.00 53.24 N ATOM 1922 CA GLY A 123 7.981 -1.236 4.678 1.00 53.43 C ATOM 1923 C GLY A 123 6.804 -0.296 4.891 1.00 61.12 C ATOM 1924 O GLY A 123 6.342 0.351 3.963 1.00 2.14 O ATOM 0 H GLY A 123 8.545 -2.525 6.226 1.00 53.24 H new ATOM 0 HA2 GLY A 123 8.690 -0.777 3.989 1.00 53.43 H new ATOM 0 HA3 GLY A 123 7.629 -2.155 4.208 1.00 53.43 H new ATOM 1928 N LEU A 124 6.331 -0.226 6.119 1.00 45.51 N ATOM 1929 CA LEU A 124 5.248 0.668 6.484 1.00 73.53 C ATOM 1930 C LEU A 124 5.799 1.838 7.296 1.00 64.13 C ATOM 1931 O LEU A 124 5.049 2.588 7.920 1.00 64.54 O ATOM 1932 CB LEU A 124 4.175 -0.070 7.307 1.00 54.21 C ATOM 1933 CG LEU A 124 3.301 -1.119 6.592 1.00 64.34 C ATOM 1934 CD1 LEU A 124 2.354 -1.742 7.604 1.00 1.22 C ATOM 1935 CD2 LEU A 124 2.477 -0.457 5.510 1.00 33.33 C ATOM 0 H LEU A 124 6.686 -0.787 6.893 1.00 45.51 H new ATOM 0 HA LEU A 124 4.786 1.038 5.568 1.00 73.53 H new ATOM 0 HB2 LEU A 124 4.676 -0.565 8.139 1.00 54.21 H new ATOM 0 HB3 LEU A 124 3.511 0.680 7.736 1.00 54.21 H new ATOM 0 HG LEU A 124 3.945 -1.878 6.148 1.00 64.34 H new ATOM 0 HD11 LEU A 124 1.730 -2.486 7.109 1.00 1.22 H new ATOM 0 HD12 LEU A 124 2.931 -2.221 8.395 1.00 1.22 H new ATOM 0 HD13 LEU A 124 1.721 -0.967 8.035 1.00 1.22 H new ATOM 0 HD21 LEU A 124 1.863 -1.206 5.011 1.00 33.33 H new ATOM 0 HD22 LEU A 124 1.833 0.301 5.956 1.00 33.33 H new ATOM 0 HD23 LEU A 124 3.140 0.012 4.783 1.00 33.33 H new ATOM 1947 N ASP A 125 7.103 2.004 7.274 1.00 4.34 N ATOM 1948 CA ASP A 125 7.743 3.052 8.049 1.00 53.42 C ATOM 1949 C ASP A 125 8.040 4.258 7.194 1.00 32.10 C ATOM 1950 O ASP A 125 8.691 4.139 6.168 1.00 64.03 O ATOM 1951 CB ASP A 125 9.023 2.558 8.706 1.00 14.11 C ATOM 1952 CG ASP A 125 9.726 3.662 9.433 1.00 41.51 C ATOM 1953 OD1 ASP A 125 9.312 3.996 10.559 1.00 14.31 O ATOM 1954 OD2 ASP A 125 10.672 4.228 8.892 1.00 3.23 O ATOM 0 H ASP A 125 7.744 1.428 6.729 1.00 4.34 H new ATOM 0 HA ASP A 125 7.043 3.341 8.833 1.00 53.42 H new ATOM 0 HB2 ASP A 125 8.789 1.753 9.403 1.00 14.11 H new ATOM 0 HB3 ASP A 125 9.685 2.140 7.948 1.00 14.11 H new ATOM 1959 N ALA A 126 7.601 5.422 7.655 1.00 33.41 N ATOM 1960 CA ALA A 126 7.732 6.672 6.912 1.00 22.01 C ATOM 1961 C ALA A 126 9.172 6.994 6.537 1.00 61.23 C ATOM 1962 O ALA A 126 9.437 7.381 5.406 1.00 5.14 O ATOM 1963 CB ALA A 126 7.112 7.829 7.682 1.00 75.53 C ATOM 0 H ALA A 126 7.141 5.528 8.559 1.00 33.41 H new ATOM 0 HA ALA A 126 7.187 6.532 5.979 1.00 22.01 H new ATOM 0 HB1 ALA A 126 7.222 8.749 7.108 1.00 75.53 H new ATOM 0 HB2 ALA A 126 6.053 7.630 7.848 1.00 75.53 H new ATOM 0 HB3 ALA A 126 7.616 7.938 8.642 1.00 75.53 H new ATOM 1969 N GLU A 127 10.098 6.785 7.466 1.00 33.14 N ATOM 1970 CA GLU A 127 11.506 7.098 7.234 1.00 1.31 C ATOM 1971 C GLU A 127 12.056 6.244 6.112 1.00 30.14 C ATOM 1972 O GLU A 127 12.756 6.742 5.210 1.00 4.14 O ATOM 1973 CB GLU A 127 12.334 6.848 8.485 1.00 21.04 C ATOM 1974 CG GLU A 127 11.955 7.679 9.685 1.00 31.42 C ATOM 1975 CD GLU A 127 12.875 7.409 10.838 1.00 3.22 C ATOM 1976 OE1 GLU A 127 14.049 7.820 10.776 1.00 32.15 O ATOM 1977 OE2 GLU A 127 12.452 6.780 11.836 1.00 3.23 O ATOM 0 H GLU A 127 9.900 6.399 8.389 1.00 33.14 H new ATOM 0 HA GLU A 127 11.569 8.153 6.966 1.00 1.31 H new ATOM 0 HB2 GLU A 127 12.250 5.795 8.752 1.00 21.04 H new ATOM 0 HB3 GLU A 127 13.382 7.035 8.251 1.00 21.04 H new ATOM 0 HG2 GLU A 127 11.992 8.737 9.426 1.00 31.42 H new ATOM 0 HG3 GLU A 127 10.928 7.458 9.975 1.00 31.42 H new ATOM 1984 N GLU A 128 11.719 4.974 6.163 1.00 74.22 N ATOM 1985 CA GLU A 128 12.166 4.010 5.188 1.00 53.43 C ATOM 1986 C GLU A 128 11.508 4.279 3.833 1.00 40.11 C ATOM 1987 O GLU A 128 12.160 4.195 2.779 1.00 22.13 O ATOM 1988 CB GLU A 128 11.860 2.596 5.683 1.00 41.25 C ATOM 1989 CG GLU A 128 12.430 1.494 4.818 1.00 71.11 C ATOM 1990 CD GLU A 128 13.915 1.631 4.638 1.00 14.13 C ATOM 1991 OE1 GLU A 128 14.657 1.633 5.641 1.00 51.25 O ATOM 1992 OE2 GLU A 128 14.371 1.719 3.487 1.00 33.12 O ATOM 0 H GLU A 128 11.122 4.580 6.890 1.00 74.22 H new ATOM 0 HA GLU A 128 13.244 4.102 5.057 1.00 53.43 H new ATOM 0 HB2 GLU A 128 12.251 2.486 6.695 1.00 41.25 H new ATOM 0 HB3 GLU A 128 10.779 2.471 5.743 1.00 41.25 H new ATOM 0 HG2 GLU A 128 12.207 0.527 5.269 1.00 71.11 H new ATOM 0 HG3 GLU A 128 11.944 1.510 3.843 1.00 71.11 H new ATOM 1999 N ILE A 129 10.236 4.629 3.862 1.00 54.23 N ATOM 2000 CA ILE A 129 9.517 4.954 2.648 1.00 21.35 C ATOM 2001 C ILE A 129 10.143 6.181 1.972 1.00 53.44 C ATOM 2002 O ILE A 129 10.427 6.139 0.782 1.00 1.44 O ATOM 2003 CB ILE A 129 7.994 5.160 2.895 1.00 1.44 C ATOM 2004 CG1 ILE A 129 7.378 3.868 3.457 1.00 12.11 C ATOM 2005 CG2 ILE A 129 7.291 5.552 1.594 1.00 45.24 C ATOM 2006 CD1 ILE A 129 5.933 3.999 3.894 1.00 75.11 C ATOM 0 H ILE A 129 9.680 4.695 4.715 1.00 54.23 H new ATOM 0 HA ILE A 129 9.606 4.100 1.976 1.00 21.35 H new ATOM 0 HB ILE A 129 7.861 5.965 3.618 1.00 1.44 H new ATOM 0 HG12 ILE A 129 7.446 3.088 2.698 1.00 12.11 H new ATOM 0 HG13 ILE A 129 7.973 3.537 4.308 1.00 12.11 H new ATOM 0 HG21 ILE A 129 6.227 5.692 1.783 1.00 45.24 H new ATOM 0 HG22 ILE A 129 7.718 6.481 1.215 1.00 45.24 H new ATOM 0 HG23 ILE A 129 7.427 4.762 0.855 1.00 45.24 H new ATOM 0 HD11 ILE A 129 5.580 3.041 4.277 1.00 75.11 H new ATOM 0 HD12 ILE A 129 5.857 4.753 4.677 1.00 75.11 H new ATOM 0 HD13 ILE A 129 5.321 4.297 3.043 1.00 75.11 H new ATOM 2018 N ILE A 130 10.425 7.238 2.750 1.00 53.12 N ATOM 2019 CA ILE A 130 11.069 8.449 2.203 1.00 74.40 C ATOM 2020 C ILE A 130 12.442 8.088 1.618 1.00 41.54 C ATOM 2021 O ILE A 130 12.832 8.592 0.571 1.00 13.13 O ATOM 2022 CB ILE A 130 11.259 9.579 3.274 1.00 74.02 C ATOM 2023 CG1 ILE A 130 9.924 9.963 3.901 1.00 71.31 C ATOM 2024 CG2 ILE A 130 11.895 10.817 2.637 1.00 34.50 C ATOM 2025 CD1 ILE A 130 10.033 10.968 5.033 1.00 2.12 C ATOM 0 H ILE A 130 10.221 7.282 3.748 1.00 53.12 H new ATOM 0 HA ILE A 130 10.403 8.834 1.430 1.00 74.40 H new ATOM 0 HB ILE A 130 11.917 9.194 4.053 1.00 74.02 H new ATOM 0 HG12 ILE A 130 9.277 10.374 3.126 1.00 71.31 H new ATOM 0 HG13 ILE A 130 9.439 9.062 4.276 1.00 71.31 H new ATOM 0 HG21 ILE A 130 12.020 11.592 3.393 1.00 34.50 H new ATOM 0 HG22 ILE A 130 12.868 10.554 2.223 1.00 34.50 H new ATOM 0 HG23 ILE A 130 11.250 11.188 1.840 1.00 34.50 H new ATOM 0 HD11 ILE A 130 9.039 11.186 5.423 1.00 2.12 H new ATOM 0 HD12 ILE A 130 10.652 10.554 5.829 1.00 2.12 H new ATOM 0 HD13 ILE A 130 10.487 11.887 4.661 1.00 2.12 H new ATOM 2037 N ARG A 131 13.125 7.165 2.281 1.00 65.03 N ATOM 2038 CA ARG A 131 14.455 6.707 1.887 1.00 4.51 C ATOM 2039 C ARG A 131 14.406 6.118 0.461 1.00 3.41 C ATOM 2040 O ARG A 131 15.269 6.407 -0.384 1.00 52.25 O ATOM 2041 CB ARG A 131 14.961 5.672 2.948 1.00 2.25 C ATOM 2042 CG ARG A 131 16.408 5.186 2.810 1.00 1.23 C ATOM 2043 CD ARG A 131 16.602 4.200 1.670 1.00 71.43 C ATOM 2044 NE ARG A 131 18.012 3.957 1.426 1.00 14.31 N ATOM 2045 CZ ARG A 131 18.724 4.578 0.482 1.00 54.13 C ATOM 2046 NH1 ARG A 131 18.146 5.485 -0.317 1.00 62.14 N ATOM 2047 NH2 ARG A 131 20.009 4.313 0.346 1.00 72.44 N ATOM 0 H ARG A 131 12.768 6.706 3.119 1.00 65.03 H new ATOM 0 HA ARG A 131 15.160 7.537 1.860 1.00 4.51 H new ATOM 0 HB2 ARG A 131 14.846 6.116 3.937 1.00 2.25 H new ATOM 0 HB3 ARG A 131 14.306 4.801 2.911 1.00 2.25 H new ATOM 0 HG2 ARG A 131 17.060 6.045 2.653 1.00 1.23 H new ATOM 0 HG3 ARG A 131 16.718 4.717 3.744 1.00 1.23 H new ATOM 0 HD2 ARG A 131 16.103 3.260 1.908 1.00 71.43 H new ATOM 0 HD3 ARG A 131 16.134 4.588 0.765 1.00 71.43 H new ATOM 0 HE ARG A 131 18.488 3.270 2.011 1.00 14.31 H new ATOM 0 HH11 ARG A 131 17.156 5.705 -0.206 1.00 62.14 H new ATOM 0 HH12 ARG A 131 18.696 5.955 -1.036 1.00 62.14 H new ATOM 0 HH21 ARG A 131 20.458 3.634 0.961 1.00 72.44 H new ATOM 0 HH22 ARG A 131 20.554 4.787 -0.375 1.00 72.44 H new ATOM 2061 N LYS A 132 13.426 5.283 0.224 1.00 63.00 N ATOM 2062 CA LYS A 132 13.215 4.673 -1.077 1.00 74.12 C ATOM 2063 C LYS A 132 12.636 5.659 -2.103 1.00 23.05 C ATOM 2064 O LYS A 132 13.121 5.746 -3.236 1.00 53.52 O ATOM 2065 CB LYS A 132 12.368 3.414 -0.935 1.00 13.51 C ATOM 2066 CG LYS A 132 13.134 2.258 -0.306 1.00 42.11 C ATOM 2067 CD LYS A 132 12.218 1.119 0.091 1.00 34.14 C ATOM 2068 CE LYS A 132 12.999 -0.140 0.464 1.00 13.20 C ATOM 2069 NZ LYS A 132 14.068 0.095 1.461 1.00 32.02 N ATOM 0 H LYS A 132 12.744 5.002 0.929 1.00 63.00 H new ATOM 0 HA LYS A 132 14.188 4.382 -1.474 1.00 74.12 H new ATOM 0 HB2 LYS A 132 11.492 3.637 -0.327 1.00 13.51 H new ATOM 0 HB3 LYS A 132 12.005 3.112 -1.918 1.00 13.51 H new ATOM 0 HG2 LYS A 132 13.882 1.893 -1.010 1.00 42.11 H new ATOM 0 HG3 LYS A 132 13.671 2.615 0.573 1.00 42.11 H new ATOM 0 HD2 LYS A 132 11.602 1.427 0.936 1.00 34.14 H new ATOM 0 HD3 LYS A 132 11.540 0.895 -0.733 1.00 34.14 H new ATOM 0 HE2 LYS A 132 12.306 -0.884 0.857 1.00 13.20 H new ATOM 0 HE3 LYS A 132 13.442 -0.562 -0.438 1.00 13.20 H new ATOM 0 HZ1 LYS A 132 14.323 -0.805 1.915 1.00 32.02 H new ATOM 0 HZ2 LYS A 132 14.904 0.492 0.987 1.00 32.02 H new ATOM 0 HZ3 LYS A 132 13.729 0.763 2.182 1.00 32.02 H new ATOM 2083 N VAL A 133 11.627 6.423 -1.693 1.00 45.24 N ATOM 2084 CA VAL A 133 10.972 7.397 -2.574 1.00 31.44 C ATOM 2085 C VAL A 133 11.963 8.473 -3.043 1.00 25.11 C ATOM 2086 O VAL A 133 11.884 8.939 -4.177 1.00 42.43 O ATOM 2087 CB VAL A 133 9.709 8.046 -1.902 1.00 22.42 C ATOM 2088 CG1 VAL A 133 9.098 9.130 -2.780 1.00 15.24 C ATOM 2089 CG2 VAL A 133 8.657 6.983 -1.622 1.00 15.23 C ATOM 0 H VAL A 133 11.240 6.389 -0.750 1.00 45.24 H new ATOM 0 HA VAL A 133 10.623 6.851 -3.451 1.00 31.44 H new ATOM 0 HB VAL A 133 10.038 8.501 -0.968 1.00 22.42 H new ATOM 0 HG11 VAL A 133 8.227 9.555 -2.281 1.00 15.24 H new ATOM 0 HG12 VAL A 133 9.834 9.914 -2.955 1.00 15.24 H new ATOM 0 HG13 VAL A 133 8.795 8.698 -3.734 1.00 15.24 H new ATOM 0 HG21 VAL A 133 7.787 7.446 -1.156 1.00 15.23 H new ATOM 0 HG22 VAL A 133 8.359 6.510 -2.558 1.00 15.23 H new ATOM 0 HG23 VAL A 133 9.070 6.230 -0.951 1.00 15.23 H new ATOM 2099 N ARG A 134 12.920 8.814 -2.180 1.00 61.01 N ATOM 2100 CA ARG A 134 13.979 9.787 -2.482 1.00 1.34 C ATOM 2101 C ARG A 134 14.674 9.411 -3.795 1.00 13.55 C ATOM 2102 O ARG A 134 14.847 10.246 -4.687 1.00 23.44 O ATOM 2103 CB ARG A 134 15.032 9.761 -1.367 1.00 41.33 C ATOM 2104 CG ARG A 134 16.094 10.854 -1.450 1.00 11.12 C ATOM 2105 CD ARG A 134 15.623 12.168 -0.826 1.00 12.22 C ATOM 2106 NE ARG A 134 14.440 12.766 -1.467 1.00 14.33 N ATOM 2107 CZ ARG A 134 13.463 13.415 -0.802 1.00 44.34 C ATOM 2108 NH1 ARG A 134 13.524 13.551 0.534 1.00 50.44 N ATOM 2109 NH2 ARG A 134 12.453 13.953 -1.469 1.00 53.35 N ATOM 0 H ARG A 134 12.986 8.421 -1.241 1.00 61.01 H new ATOM 0 HA ARG A 134 13.530 10.777 -2.563 1.00 1.34 H new ATOM 0 HB2 ARG A 134 14.523 9.843 -0.407 1.00 41.33 H new ATOM 0 HB3 ARG A 134 15.530 8.791 -1.382 1.00 41.33 H new ATOM 0 HG2 ARG A 134 16.999 10.518 -0.944 1.00 11.12 H new ATOM 0 HG3 ARG A 134 16.357 11.024 -2.494 1.00 11.12 H new ATOM 0 HD2 ARG A 134 15.400 11.995 0.227 1.00 12.22 H new ATOM 0 HD3 ARG A 134 16.442 12.886 -0.864 1.00 12.22 H new ATOM 0 HE ARG A 134 14.354 12.684 -2.480 1.00 14.33 H new ATOM 0 HH11 ARG A 134 14.313 13.162 1.051 1.00 50.44 H new ATOM 0 HH12 ARG A 134 12.782 14.043 1.031 1.00 50.44 H new ATOM 0 HH21 ARG A 134 12.414 13.876 -2.485 1.00 53.35 H new ATOM 0 HH22 ARG A 134 11.714 14.444 -0.966 1.00 53.35 H new ATOM 2123 N LEU A 135 15.010 8.130 -3.906 1.00 60.22 N ATOM 2124 CA LEU A 135 15.719 7.583 -5.055 1.00 25.42 C ATOM 2125 C LEU A 135 14.877 7.710 -6.312 1.00 42.41 C ATOM 2126 O LEU A 135 15.376 8.078 -7.381 1.00 45.10 O ATOM 2127 CB LEU A 135 16.052 6.106 -4.816 1.00 34.33 C ATOM 2128 CG LEU A 135 16.931 5.786 -3.605 1.00 64.11 C ATOM 2129 CD1 LEU A 135 17.064 4.281 -3.434 1.00 51.35 C ATOM 2130 CD2 LEU A 135 18.305 6.423 -3.752 1.00 13.22 C ATOM 0 H LEU A 135 14.794 7.435 -3.191 1.00 60.22 H new ATOM 0 HA LEU A 135 16.642 8.148 -5.186 1.00 25.42 H new ATOM 0 HB2 LEU A 135 15.115 5.559 -4.710 1.00 34.33 H new ATOM 0 HB3 LEU A 135 16.547 5.721 -5.707 1.00 34.33 H new ATOM 0 HG LEU A 135 16.454 6.201 -2.717 1.00 64.11 H new ATOM 0 HD11 LEU A 135 17.692 4.067 -2.569 1.00 51.35 H new ATOM 0 HD12 LEU A 135 16.077 3.843 -3.283 1.00 51.35 H new ATOM 0 HD13 LEU A 135 17.519 3.852 -4.327 1.00 51.35 H new ATOM 0 HD21 LEU A 135 18.913 6.182 -2.880 1.00 13.22 H new ATOM 0 HD22 LEU A 135 18.790 6.039 -4.649 1.00 13.22 H new ATOM 0 HD23 LEU A 135 18.198 7.505 -3.832 1.00 13.22 H new ATOM 2142 N HIS A 136 13.597 7.427 -6.172 1.00 1.24 N ATOM 2143 CA HIS A 136 12.664 7.491 -7.283 1.00 75.21 C ATOM 2144 C HIS A 136 12.481 8.954 -7.713 1.00 2.31 C ATOM 2145 O HIS A 136 12.459 9.267 -8.903 1.00 50.51 O ATOM 2146 CB HIS A 136 11.313 6.850 -6.869 1.00 33.42 C ATOM 2147 CG HIS A 136 10.285 6.721 -7.974 1.00 62.41 C ATOM 2148 ND1 HIS A 136 9.919 5.522 -8.555 1.00 75.55 N ATOM 2149 CD2 HIS A 136 9.509 7.662 -8.564 1.00 53.35 C ATOM 2150 CE1 HIS A 136 8.964 5.767 -9.450 1.00 45.31 C ATOM 2151 NE2 HIS A 136 8.678 7.049 -9.497 1.00 51.23 N ATOM 0 H HIS A 136 13.174 7.147 -5.287 1.00 1.24 H new ATOM 0 HA HIS A 136 13.056 6.931 -8.132 1.00 75.21 H new ATOM 0 HB2 HIS A 136 11.511 5.858 -6.464 1.00 33.42 H new ATOM 0 HB3 HIS A 136 10.881 7.443 -6.063 1.00 33.42 H new ATOM 0 HD2 HIS A 136 9.532 8.719 -8.345 1.00 53.35 H new ATOM 0 HE1 HIS A 136 8.487 5.012 -10.057 1.00 45.31 H new ATOM 0 HE2 HIS A 136 7.988 7.502 -10.095 1.00 51.23 H new