USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 915 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 90 GLN : amide:sc= -0.197 X(o=-2.4,f=-2.4) USER MOD Set 1.2: A 93 MET CE :methyl -174:sc= -2.24 (180deg=-2.37) USER MOD Set 2.1: A 61 ASN : amide:sc= -0.974 K(o=-1.1,f=-4.8) USER MOD Set 2.2: A 66 THR OG1 : rot -179:sc= -0.146 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.102 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 54:sc= 0.808 USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.051) USER MOD Single : A 14 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1.8!) USER MOD Single : A 18 MET CE :methyl -100:sc= -0.668 (180deg=-4.32!) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.000731) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 32 TYR OH : rot 130:sc= -0.0145 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.713 K(o=-0.71,f=-3.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= -0.142 (180deg=-1.42!) USER MOD Single : A 46 THR OG1 : rot -160:sc= 0.287 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 86:sc= 1.05 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -142:sc= -0.397 (180deg=-1.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.836 K(o=-0.84,f=0) USER MOD Single : A 82 SER OG : rot 150:sc= -1.5! USER MOD Single : A 87 MET CE :methyl 138:sc= -1.7 (180deg=-5.25!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.3) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 7 -0.022 -0.111 -16.837 1.00 10.34 N ATOM 69 CA VAL A 7 0.563 -0.887 -17.924 1.00 2.44 C ATOM 70 C VAL A 7 -0.477 -1.206 -18.992 1.00 5.32 C ATOM 71 O VAL A 7 -1.599 -1.607 -18.683 1.00 24.25 O ATOM 72 CB VAL A 7 1.172 -2.205 -17.408 1.00 52.12 C ATOM 73 CG1 VAL A 7 1.746 -3.015 -18.560 1.00 54.24 C ATOM 74 CG2 VAL A 7 2.239 -1.923 -16.360 1.00 43.52 C ATOM 0 HA VAL A 7 1.353 -0.276 -18.360 1.00 2.44 H new ATOM 0 HB VAL A 7 0.382 -2.793 -16.941 1.00 52.12 H new ATOM 0 HG11 VAL A 7 2.172 -3.942 -18.176 1.00 54.24 H new ATOM 0 HG12 VAL A 7 0.954 -3.247 -19.272 1.00 54.24 H new ATOM 0 HG13 VAL A 7 2.524 -2.437 -19.059 1.00 54.24 H new ATOM 0 HG21 VAL A 7 2.659 -2.864 -16.006 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.030 -1.316 -16.800 1.00 43.52 H new ATOM 0 HG23 VAL A 7 1.793 -1.387 -15.522 1.00 43.52 H new ATOM 84 N THR A 8 -0.096 -1.024 -20.253 1.00 15.13 N ATOM 85 CA THR A 8 -0.994 -1.291 -21.369 1.00 55.12 C ATOM 86 C THR A 8 -0.575 -2.546 -22.125 1.00 32.31 C ATOM 87 O THR A 8 0.578 -2.678 -22.537 1.00 11.22 O ATOM 88 CB THR A 8 -1.040 -0.105 -22.351 1.00 32.32 C ATOM 89 OG1 THR A 8 -1.328 1.106 -21.643 1.00 2.03 O ATOM 90 CG2 THR A 8 -2.090 -0.333 -23.428 1.00 55.11 C ATOM 0 H THR A 8 0.829 -0.693 -20.526 1.00 15.13 H new ATOM 0 HA THR A 8 -1.987 -1.440 -20.945 1.00 55.12 H new ATOM 0 HB THR A 8 -0.065 -0.021 -22.831 1.00 32.32 H new ATOM 0 HG1 THR A 8 -1.354 1.856 -22.274 1.00 2.03 H new ATOM 0 HG21 THR A 8 -2.103 0.518 -24.109 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.850 -1.239 -23.984 1.00 55.11 H new ATOM 0 HG23 THR A 8 -3.070 -0.441 -22.963 1.00 55.11 H new ATOM 98 N ILE A 9 -1.517 -3.466 -22.305 1.00 40.31 N ATOM 99 CA ILE A 9 -1.245 -4.710 -23.014 1.00 3.44 C ATOM 100 C ILE A 9 -2.041 -4.789 -24.312 1.00 62.44 C ATOM 101 O ILE A 9 -3.223 -4.443 -24.349 1.00 5.32 O ATOM 102 CB ILE A 9 -1.576 -5.937 -22.145 1.00 0.54 C ATOM 103 CG1 ILE A 9 -1.330 -7.228 -22.931 1.00 33.21 C ATOM 104 CG2 ILE A 9 -3.017 -5.872 -21.663 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.617 -8.482 -22.137 1.00 32.30 C ATOM 0 H ILE A 9 -2.476 -3.373 -21.969 1.00 40.31 H new ATOM 0 HA ILE A 9 -0.180 -4.715 -23.244 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.921 -5.933 -21.274 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.953 -7.224 -23.826 1.00 33.21 H new ATOM 0 HG13 ILE A 9 -0.293 -7.248 -23.265 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -3.235 -6.746 -21.050 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -3.162 -4.968 -21.071 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.688 -5.854 -22.522 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.421 -9.357 -22.756 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.976 -8.510 -21.256 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.662 -8.484 -21.825 1.00 32.30 H new ATOM 117 N TYR A 10 -1.388 -5.249 -25.373 1.00 4.54 N ATOM 118 CA TYR A 10 -2.035 -5.374 -26.673 1.00 30.24 C ATOM 119 C TYR A 10 -2.195 -6.840 -27.065 1.00 22.21 C ATOM 120 O TYR A 10 -1.296 -7.653 -26.850 1.00 41.11 O ATOM 121 CB TYR A 10 -1.227 -4.635 -27.741 1.00 22.32 C ATOM 122 CG TYR A 10 -1.138 -3.143 -27.509 1.00 34.41 C ATOM 123 CD1 TYR A 10 -0.326 -2.625 -26.507 1.00 54.11 C ATOM 124 CD2 TYR A 10 -1.864 -2.254 -28.289 1.00 15.21 C ATOM 125 CE1 TYR A 10 -0.242 -1.264 -26.290 1.00 20.31 C ATOM 126 CE2 TYR A 10 -1.784 -0.890 -28.081 1.00 22.30 C ATOM 127 CZ TYR A 10 -0.972 -0.400 -27.080 1.00 60.44 C ATOM 128 OH TYR A 10 -0.891 0.957 -26.867 1.00 41.33 O ATOM 0 H TYR A 10 -0.411 -5.541 -25.358 1.00 4.54 H new ATOM 0 HA TYR A 10 -3.026 -4.926 -26.601 1.00 30.24 H new ATOM 0 HB2 TYR A 10 -0.220 -5.050 -27.774 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -1.679 -4.816 -28.716 1.00 22.32 H new ATOM 0 HD1 TYR A 10 0.249 -3.298 -25.888 1.00 54.11 H new ATOM 0 HD2 TYR A 10 -2.503 -2.635 -29.072 1.00 15.21 H new ATOM 0 HE1 TYR A 10 0.392 -0.878 -25.506 1.00 20.31 H new ATOM 0 HE2 TYR A 10 -2.354 -0.212 -28.699 1.00 22.30 H new ATOM 0 HH TYR A 10 0.048 1.236 -26.889 1.00 41.33 H new ATOM 138 N GLY A 11 -3.346 -7.171 -27.641 1.00 41.24 N ATOM 139 CA GLY A 11 -3.603 -8.538 -28.053 1.00 3.41 C ATOM 140 C GLY A 11 -4.636 -8.625 -29.160 1.00 42.14 C ATOM 141 O GLY A 11 -4.976 -7.618 -29.780 1.00 61.14 O ATOM 0 H GLY A 11 -4.105 -6.517 -27.830 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.672 -8.993 -28.392 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.946 -9.115 -27.194 1.00 3.41 H new ATOM 145 N ILE A 12 -5.132 -9.833 -29.411 1.00 0.23 N ATOM 146 CA ILE A 12 -6.129 -10.046 -30.451 1.00 21.20 C ATOM 147 C ILE A 12 -7.314 -10.847 -29.921 1.00 0.25 C ATOM 148 O ILE A 12 -7.317 -11.282 -28.768 1.00 72.24 O ATOM 149 CB ILE A 12 -5.530 -10.782 -31.664 1.00 70.51 C ATOM 150 CG1 ILE A 12 -5.154 -12.215 -31.284 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.316 -10.032 -32.191 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.561 -13.008 -32.428 1.00 42.40 C ATOM 0 H ILE A 12 -4.859 -10.677 -28.908 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.470 -9.060 -30.766 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.280 -10.821 -32.454 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.439 -12.188 -30.462 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -6.042 -12.730 -30.917 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -3.903 -10.564 -33.048 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.612 -9.028 -32.495 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.561 -9.966 -31.408 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.318 -14.014 -32.086 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.282 -13.066 -33.243 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.654 -12.516 -32.780 1.00 42.40 H new ATOM 164 N LYS A 13 -8.319 -11.039 -30.769 1.00 73.52 N ATOM 165 CA LYS A 13 -9.509 -11.790 -30.388 1.00 71.53 C ATOM 166 C LYS A 13 -9.399 -13.245 -30.831 1.00 42.41 C ATOM 167 O LYS A 13 -10.017 -14.131 -30.242 1.00 70.40 O ATOM 168 CB LYS A 13 -10.758 -11.153 -31.001 1.00 10.01 C ATOM 169 CG LYS A 13 -12.019 -11.975 -30.806 1.00 12.21 C ATOM 170 CD LYS A 13 -13.269 -11.136 -31.011 1.00 11.45 C ATOM 171 CE LYS A 13 -13.415 -10.698 -32.460 1.00 71.10 C ATOM 172 NZ LYS A 13 -13.791 -11.833 -33.348 1.00 71.14 N ATOM 0 H LYS A 13 -8.333 -10.684 -31.725 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.591 -11.764 -29.301 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.906 -10.167 -30.561 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.593 -11.004 -32.068 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -12.022 -12.810 -31.506 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -12.026 -12.400 -29.802 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -14.147 -11.710 -30.713 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -13.229 -10.258 -30.367 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -14.172 -9.917 -32.529 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -12.477 -10.263 -32.804 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -14.013 -11.472 -34.298 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -12.998 -12.504 -33.409 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -14.625 -12.317 -32.958 1.00 71.14 H new ATOM 186 N ASN A 14 -8.605 -13.485 -31.870 1.00 14.55 N ATOM 187 CA ASN A 14 -8.414 -14.834 -32.390 1.00 43.33 C ATOM 188 C ASN A 14 -7.190 -15.491 -31.759 1.00 4.54 C ATOM 189 O ASN A 14 -6.253 -15.881 -32.457 1.00 13.15 O ATOM 190 CB ASN A 14 -8.260 -14.799 -33.912 1.00 12.44 C ATOM 191 CG ASN A 14 -9.592 -14.676 -34.625 1.00 1.15 C ATOM 192 OD1 ASN A 14 -10.651 -14.716 -33.997 1.00 11.24 O ATOM 193 ND2 ASN A 14 -9.546 -14.523 -35.942 1.00 4.23 N ATOM 0 H ASN A 14 -8.084 -12.763 -32.368 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.294 -15.424 -32.134 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -7.623 -13.960 -34.191 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -7.755 -15.706 -34.244 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -10.411 -14.433 -36.475 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -8.646 -14.495 -36.421 1.00 4.23 H new ATOM 200 N CYS A 15 -7.205 -15.611 -30.436 1.00 13.42 N ATOM 201 CA CYS A 15 -6.097 -16.220 -29.711 1.00 5.12 C ATOM 202 C CYS A 15 -6.566 -16.781 -28.371 1.00 45.42 C ATOM 203 O CYS A 15 -7.580 -16.344 -27.825 1.00 62.11 O ATOM 204 CB CYS A 15 -4.981 -15.198 -29.486 1.00 22.14 C ATOM 205 SG CYS A 15 -3.394 -15.926 -29.019 1.00 2.24 S ATOM 0 H CYS A 15 -7.973 -15.294 -29.844 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.710 -17.042 -30.314 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.847 -14.616 -30.398 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.292 -14.502 -28.707 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.516 -14.982 -28.853 1.00 2.24 H new ATOM 211 N ASP A 16 -5.823 -17.749 -27.849 1.00 14.03 N ATOM 212 CA ASP A 16 -6.163 -18.371 -26.574 1.00 11.23 C ATOM 213 C ASP A 16 -5.157 -17.984 -25.495 1.00 34.34 C ATOM 214 O ASP A 16 -5.505 -17.858 -24.321 1.00 45.12 O ATOM 215 CB ASP A 16 -6.212 -19.892 -26.720 1.00 50.21 C ATOM 216 CG ASP A 16 -5.172 -20.415 -27.691 1.00 54.43 C ATOM 217 OD1 ASP A 16 -3.965 -20.263 -27.407 1.00 34.14 O ATOM 218 OD2 ASP A 16 -5.564 -20.976 -28.735 1.00 34.04 O ATOM 0 H ASP A 16 -4.981 -18.121 -28.288 1.00 14.03 H new ATOM 0 HA ASP A 16 -7.147 -18.011 -26.274 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -6.058 -20.353 -25.744 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -7.204 -20.190 -27.060 1.00 50.21 H new ATOM 223 N THR A 17 -3.904 -17.794 -25.901 1.00 62.21 N ATOM 224 CA THR A 17 -2.846 -17.423 -24.970 1.00 10.24 C ATOM 225 C THR A 17 -3.247 -16.212 -24.136 1.00 43.54 C ATOM 226 O THR A 17 -2.812 -16.060 -22.995 1.00 32.13 O ATOM 227 CB THR A 17 -1.531 -17.112 -25.709 1.00 64.53 C ATOM 228 OG1 THR A 17 -1.346 -18.035 -26.788 1.00 51.14 O ATOM 229 CG2 THR A 17 -0.346 -17.188 -24.759 1.00 13.05 C ATOM 0 H THR A 17 -3.598 -17.891 -26.869 1.00 62.21 H new ATOM 0 HA THR A 17 -2.690 -18.278 -24.312 1.00 10.24 H new ATOM 0 HB THR A 17 -1.593 -16.099 -26.106 1.00 64.53 H new ATOM 0 HG1 THR A 17 -0.509 -17.830 -27.254 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.572 -16.965 -25.303 1.00 13.05 H new ATOM 0 HG22 THR A 17 -0.477 -16.463 -23.955 1.00 13.05 H new ATOM 0 HG23 THR A 17 -0.282 -18.191 -24.336 1.00 13.05 H new ATOM 237 N MET A 18 -4.079 -15.351 -24.714 1.00 61.22 N ATOM 238 CA MET A 18 -4.541 -14.153 -24.022 1.00 4.42 C ATOM 239 C MET A 18 -5.193 -14.511 -22.691 1.00 72.34 C ATOM 240 O MET A 18 -4.930 -13.877 -21.669 1.00 54.40 O ATOM 241 CB MET A 18 -5.531 -13.382 -24.897 1.00 41.43 C ATOM 242 CG MET A 18 -4.864 -12.404 -25.852 1.00 42.31 C ATOM 243 SD MET A 18 -5.785 -10.864 -26.022 1.00 61.21 S ATOM 244 CE MET A 18 -4.984 -9.851 -24.780 1.00 35.43 C ATOM 0 H MET A 18 -4.447 -15.461 -25.659 1.00 61.22 H new ATOM 0 HA MET A 18 -3.675 -13.522 -23.824 1.00 4.42 H new ATOM 0 HB2 MET A 18 -6.124 -14.092 -25.473 1.00 41.43 H new ATOM 0 HB3 MET A 18 -6.222 -12.836 -24.255 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.858 -12.184 -25.496 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.761 -12.871 -26.831 1.00 42.31 H new ATOM 0 HE1 MET A 18 -5.595 -9.831 -23.877 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.005 -10.268 -24.546 1.00 35.43 H new ATOM 0 HE3 MET A 18 -4.865 -8.836 -25.160 1.00 35.43 H new ATOM 254 N LYS A 19 -6.046 -15.530 -22.710 1.00 34.45 N ATOM 255 CA LYS A 19 -6.736 -15.973 -21.504 1.00 44.21 C ATOM 256 C LYS A 19 -5.747 -16.221 -20.370 1.00 43.12 C ATOM 257 O LYS A 19 -5.921 -15.720 -19.260 1.00 22.52 O ATOM 258 CB LYS A 19 -7.533 -17.250 -21.788 1.00 42.21 C ATOM 259 CG LYS A 19 -8.401 -17.695 -20.626 1.00 0.44 C ATOM 260 CD LYS A 19 -9.584 -18.523 -21.098 1.00 30.12 C ATOM 261 CE LYS A 19 -10.194 -19.326 -19.959 1.00 54.50 C ATOM 262 NZ LYS A 19 -10.806 -18.445 -18.926 1.00 12.14 N ATOM 0 H LYS A 19 -6.276 -16.065 -23.548 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.422 -15.183 -21.198 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -8.165 -17.087 -22.661 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.840 -18.052 -22.041 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -7.803 -18.279 -19.927 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.761 -16.821 -20.084 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -10.341 -17.866 -21.527 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.263 -19.200 -21.890 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -10.952 -20.001 -20.356 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -9.425 -19.946 -19.498 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -11.559 -18.963 -18.430 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -10.078 -18.153 -18.243 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.209 -17.602 -19.383 1.00 12.14 H new ATOM 276 N LYS A 20 -4.705 -16.994 -20.658 1.00 34.44 N ATOM 277 CA LYS A 20 -3.686 -17.306 -19.664 1.00 13.54 C ATOM 278 C LYS A 20 -2.967 -16.041 -19.206 1.00 54.33 C ATOM 279 O LYS A 20 -2.760 -15.832 -18.011 1.00 71.32 O ATOM 280 CB LYS A 20 -2.673 -18.302 -20.236 1.00 51.40 C ATOM 281 CG LYS A 20 -3.316 -19.497 -20.920 1.00 41.13 C ATOM 282 CD LYS A 20 -4.259 -20.234 -19.983 1.00 21.45 C ATOM 283 CE LYS A 20 -4.341 -21.713 -20.326 1.00 33.50 C ATOM 284 NZ LYS A 20 -5.587 -22.336 -19.800 1.00 30.33 N ATOM 0 H LYS A 20 -4.545 -17.416 -21.573 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.181 -17.754 -18.802 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -2.032 -17.786 -20.951 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.030 -18.657 -19.430 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -3.864 -19.162 -21.800 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -2.540 -20.179 -21.268 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -3.918 -20.116 -18.955 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -5.253 -19.790 -20.042 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -4.302 -21.838 -21.408 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -3.474 -22.230 -19.914 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -5.605 -23.344 -20.055 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -5.613 -22.240 -18.765 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -6.414 -21.860 -20.213 1.00 30.33 H new ATOM 298 N ALA A 21 -2.591 -15.200 -20.164 1.00 53.12 N ATOM 299 CA ALA A 21 -1.899 -13.954 -19.859 1.00 1.22 C ATOM 300 C ALA A 21 -2.725 -13.084 -18.919 1.00 43.50 C ATOM 301 O ALA A 21 -2.214 -12.568 -17.924 1.00 22.15 O ATOM 302 CB ALA A 21 -1.584 -13.197 -21.141 1.00 20.30 C ATOM 0 H ALA A 21 -2.754 -15.359 -21.158 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.964 -14.201 -19.357 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -1.067 -12.269 -20.898 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.947 -13.810 -21.779 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.512 -12.969 -21.666 1.00 20.30 H new ATOM 308 N ARG A 22 -4.006 -12.924 -19.239 1.00 25.34 N ATOM 309 CA ARG A 22 -4.902 -12.114 -18.423 1.00 62.34 C ATOM 310 C ARG A 22 -5.026 -12.690 -17.015 1.00 32.15 C ATOM 311 O ARG A 22 -4.892 -11.970 -16.026 1.00 70.51 O ATOM 312 CB ARG A 22 -6.284 -12.030 -19.074 1.00 44.13 C ATOM 313 CG ARG A 22 -6.295 -11.257 -20.382 1.00 55.33 C ATOM 314 CD ARG A 22 -7.449 -11.686 -21.274 1.00 32.33 C ATOM 315 NE ARG A 22 -8.744 -11.307 -20.713 1.00 60.44 N ATOM 316 CZ ARG A 22 -9.907 -11.612 -21.277 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.937 -12.297 -22.412 1.00 3.41 N ATOM 318 NH2 ARG A 22 -11.043 -11.232 -20.706 1.00 10.54 N ATOM 0 H ARG A 22 -4.446 -13.345 -20.057 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.480 -11.112 -18.351 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.653 -13.040 -19.255 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.977 -11.558 -18.377 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -6.372 -10.190 -20.174 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -5.352 -11.413 -20.906 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -7.334 -11.233 -22.259 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -7.417 -12.766 -21.414 1.00 32.33 H new ATOM 0 HE ARG A 22 -8.755 -10.779 -19.840 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -9.066 -12.591 -22.854 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -10.831 -12.530 -22.843 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -11.024 -10.705 -19.833 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -11.936 -11.467 -21.140 1.00 10.54 H new ATOM 332 N ILE A 23 -5.282 -13.991 -16.934 1.00 34.41 N ATOM 333 CA ILE A 23 -5.423 -14.664 -15.649 1.00 74.45 C ATOM 334 C ILE A 23 -4.165 -14.499 -14.803 1.00 44.23 C ATOM 335 O ILE A 23 -4.241 -14.362 -13.582 1.00 42.13 O ATOM 336 CB ILE A 23 -5.715 -16.165 -15.827 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.010 -16.363 -16.618 1.00 24.30 C ATOM 338 CG2 ILE A 23 -5.805 -16.852 -14.473 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.043 -17.652 -17.411 1.00 52.43 C ATOM 0 H ILE A 23 -5.396 -14.601 -17.744 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.266 -14.198 -15.139 1.00 74.45 H new ATOM 0 HB ILE A 23 -4.896 -16.616 -16.387 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -7.854 -16.349 -15.928 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.142 -15.523 -17.300 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.012 -17.913 -14.616 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -4.860 -16.735 -13.942 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -6.608 -16.401 -13.889 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -7.990 -17.726 -17.946 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.220 -17.661 -18.126 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -6.943 -18.499 -16.733 1.00 52.43 H new ATOM 351 N TRP A 24 -3.011 -14.513 -15.459 1.00 31.51 N ATOM 352 CA TRP A 24 -1.736 -14.364 -14.766 1.00 62.05 C ATOM 353 C TRP A 24 -1.590 -12.959 -14.192 1.00 74.25 C ATOM 354 O TRP A 24 -1.365 -12.789 -12.992 1.00 4.31 O ATOM 355 CB TRP A 24 -0.576 -14.662 -15.719 1.00 3.42 C ATOM 356 CG TRP A 24 0.596 -15.307 -15.044 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.916 -16.635 -15.050 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.603 -14.652 -14.264 1.00 0.54 C ATOM 359 NE1 TRP A 24 2.061 -16.845 -14.320 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.502 -15.645 -13.828 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.832 -13.325 -13.893 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.610 -15.349 -13.040 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.934 -13.033 -13.111 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.812 -14.041 -12.691 1.00 64.41 C ATOM 0 H TRP A 24 -2.931 -14.626 -16.470 1.00 31.51 H new ATOM 0 HA TRP A 24 -1.713 -15.077 -13.942 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -0.930 -15.313 -16.518 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.251 -13.732 -16.186 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.352 -17.406 -15.554 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.510 -17.748 -14.169 1.00 71.32 H new ATOM 0 HE3 TRP A 24 1.160 -12.541 -14.211 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 4.287 -16.125 -12.715 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 3.121 -12.010 -12.819 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.664 -13.781 -12.080 1.00 64.41 H new ATOM 375 N LEU A 25 -1.718 -11.956 -15.053 1.00 11.33 N ATOM 376 CA LEU A 25 -1.601 -10.565 -14.629 1.00 44.32 C ATOM 377 C LEU A 25 -2.656 -10.223 -13.583 1.00 51.32 C ATOM 378 O LEU A 25 -2.364 -9.562 -12.586 1.00 43.22 O ATOM 379 CB LEU A 25 -1.739 -9.632 -15.833 1.00 70.24 C ATOM 380 CG LEU A 25 -0.452 -9.334 -16.604 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.526 -8.562 -15.731 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.180 -10.625 -17.103 1.00 3.23 C ATOM 0 H LEU A 25 -1.903 -12.079 -16.049 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.616 -10.429 -14.182 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.460 -10.068 -16.524 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.159 -8.687 -15.489 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.702 -8.717 -17.467 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.436 -8.359 -16.296 1.00 21.14 H new ATOM 0 HD12 LEU A 25 0.073 -7.620 -15.422 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.771 -9.153 -14.849 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.095 -10.395 -17.649 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.416 -11.266 -16.254 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.517 -11.140 -17.764 1.00 3.23 H new ATOM 394 N GLU A 26 -3.883 -10.680 -13.816 1.00 61.23 N ATOM 395 CA GLU A 26 -4.982 -10.422 -12.891 1.00 64.31 C ATOM 396 C GLU A 26 -4.739 -11.113 -11.553 1.00 74.22 C ATOM 397 O GLU A 26 -4.964 -10.530 -10.492 1.00 53.23 O ATOM 398 CB GLU A 26 -6.306 -10.901 -13.492 1.00 32.45 C ATOM 399 CG GLU A 26 -6.836 -9.997 -14.592 1.00 31.13 C ATOM 400 CD GLU A 26 -7.964 -10.637 -15.378 1.00 44.21 C ATOM 401 OE1 GLU A 26 -7.728 -11.690 -16.005 1.00 13.03 O ATOM 402 OE2 GLU A 26 -9.084 -10.083 -15.367 1.00 61.24 O ATOM 0 H GLU A 26 -4.141 -11.230 -14.636 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.036 -9.347 -12.721 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.171 -11.906 -13.892 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.051 -10.971 -12.700 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -7.188 -9.064 -14.152 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -6.023 -9.743 -15.272 1.00 31.13 H new ATOM 409 N ASP A 27 -4.280 -12.359 -11.611 1.00 34.31 N ATOM 410 CA ASP A 27 -4.005 -13.129 -10.404 1.00 72.41 C ATOM 411 C ASP A 27 -2.936 -12.449 -9.555 1.00 33.14 C ATOM 412 O ASP A 27 -3.062 -12.361 -8.333 1.00 3.11 O ATOM 413 CB ASP A 27 -3.559 -14.547 -10.769 1.00 42.32 C ATOM 414 CG ASP A 27 -3.234 -15.383 -9.547 1.00 63.52 C ATOM 415 OD1 ASP A 27 -3.833 -15.134 -8.480 1.00 45.10 O ATOM 416 OD2 ASP A 27 -2.380 -16.288 -9.657 1.00 71.12 O ATOM 0 H ASP A 27 -4.091 -12.857 -12.481 1.00 34.31 H new ATOM 0 HA ASP A 27 -4.924 -13.183 -9.821 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.347 -15.037 -11.342 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -2.682 -14.494 -11.414 1.00 42.32 H new ATOM 421 N HIS A 28 -1.884 -11.970 -10.210 1.00 21.13 N ATOM 422 CA HIS A 28 -0.791 -11.298 -9.516 1.00 13.54 C ATOM 423 C HIS A 28 -1.269 -9.991 -8.890 1.00 43.42 C ATOM 424 O HIS A 28 -0.608 -9.432 -8.015 1.00 0.32 O ATOM 425 CB HIS A 28 0.362 -11.022 -10.481 1.00 14.43 C ATOM 426 CG HIS A 28 1.710 -11.055 -9.828 1.00 55.54 C ATOM 427 ND1 HIS A 28 2.223 -9.998 -9.108 1.00 12.03 N ATOM 428 CD2 HIS A 28 2.651 -12.028 -9.789 1.00 71.45 C ATOM 429 CE1 HIS A 28 3.422 -10.317 -8.655 1.00 24.52 C ATOM 430 NE2 HIS A 28 3.705 -11.544 -9.054 1.00 21.13 N ATOM 0 H HIS A 28 -1.765 -12.035 -11.221 1.00 21.13 H new ATOM 0 HA HIS A 28 -0.439 -11.956 -8.721 1.00 13.54 H new ATOM 0 HB2 HIS A 28 0.338 -11.759 -11.283 1.00 14.43 H new ATOM 0 HB3 HIS A 28 0.214 -10.045 -10.941 1.00 14.43 H new ATOM 0 HD2 HIS A 28 2.585 -13.002 -10.250 1.00 71.45 H new ATOM 0 HE1 HIS A 28 4.062 -9.683 -8.060 1.00 24.52 H new ATOM 0 HE2 HIS A 28 4.567 -12.050 -8.849 1.00 21.13 H new ATOM 438 N GLY A 29 -2.422 -9.509 -9.344 1.00 43.32 N ATOM 439 CA GLY A 29 -2.968 -8.272 -8.818 1.00 61.30 C ATOM 440 C GLY A 29 -2.438 -7.050 -9.541 1.00 13.24 C ATOM 441 O GLY A 29 -2.256 -5.992 -8.938 1.00 52.32 O ATOM 0 H GLY A 29 -2.988 -9.954 -10.067 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.055 -8.295 -8.899 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -2.729 -8.195 -7.757 1.00 61.30 H new ATOM 445 N ILE A 30 -2.187 -7.195 -10.838 1.00 54.44 N ATOM 446 CA ILE A 30 -1.674 -6.094 -11.645 1.00 74.22 C ATOM 447 C ILE A 30 -2.749 -5.549 -12.579 1.00 61.31 C ATOM 448 O ILE A 30 -3.554 -6.305 -13.123 1.00 14.22 O ATOM 449 CB ILE A 30 -0.455 -6.529 -12.480 1.00 33.02 C ATOM 450 CG1 ILE A 30 0.576 -7.230 -11.593 1.00 74.32 C ATOM 451 CG2 ILE A 30 0.166 -5.327 -13.176 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.760 -7.776 -12.358 1.00 25.45 C ATOM 0 H ILE A 30 -2.330 -8.064 -11.353 1.00 54.44 H new ATOM 0 HA ILE A 30 -1.368 -5.310 -10.952 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.788 -7.234 -13.242 1.00 33.02 H new ATOM 0 HG12 ILE A 30 0.933 -6.527 -10.840 1.00 74.32 H new ATOM 0 HG13 ILE A 30 0.089 -8.047 -11.061 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.026 -5.650 -13.762 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -0.570 -4.868 -13.835 1.00 52.12 H new ATOM 0 HG23 ILE A 30 0.488 -4.601 -12.430 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.449 -8.259 -11.665 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.414 -8.503 -13.093 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.271 -6.960 -12.868 1.00 25.45 H new ATOM 464 N ASP A 31 -2.754 -4.233 -12.762 1.00 75.12 N ATOM 465 CA ASP A 31 -3.728 -3.586 -13.632 1.00 21.24 C ATOM 466 C ASP A 31 -3.189 -3.465 -15.054 1.00 75.12 C ATOM 467 O ASP A 31 -2.295 -2.663 -15.324 1.00 63.43 O ATOM 468 CB ASP A 31 -4.089 -2.202 -13.091 1.00 24.41 C ATOM 469 CG ASP A 31 -5.139 -2.264 -11.999 1.00 12.42 C ATOM 470 OD1 ASP A 31 -5.985 -3.181 -12.040 1.00 24.32 O ATOM 471 OD2 ASP A 31 -5.114 -1.394 -11.104 1.00 60.30 O ATOM 0 H ASP A 31 -2.094 -3.594 -12.319 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.626 -4.204 -13.653 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -3.191 -1.722 -12.701 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -4.454 -1.580 -13.908 1.00 24.41 H new ATOM 476 N TYR A 32 -3.739 -4.268 -15.960 1.00 1.34 N ATOM 477 CA TYR A 32 -3.311 -4.253 -17.354 1.00 14.55 C ATOM 478 C TYR A 32 -4.458 -3.846 -18.272 1.00 23.04 C ATOM 479 O TYR A 32 -5.560 -4.390 -18.189 1.00 43.04 O ATOM 480 CB TYR A 32 -2.781 -5.630 -17.761 1.00 44.01 C ATOM 481 CG TYR A 32 -1.279 -5.759 -17.643 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.601 -5.242 -16.547 1.00 2.21 C ATOM 483 CD2 TYR A 32 -0.537 -6.398 -18.630 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.771 -5.358 -16.435 1.00 1.10 C ATOM 485 CE2 TYR A 32 0.834 -6.519 -18.526 1.00 0.12 C ATOM 486 CZ TYR A 32 1.484 -5.998 -17.427 1.00 70.01 C ATOM 487 OH TYR A 32 2.851 -6.115 -17.321 1.00 34.31 O ATOM 0 H TYR A 32 -4.481 -4.936 -15.754 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.512 -3.519 -17.454 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -3.253 -6.390 -17.138 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -3.075 -5.834 -18.791 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.156 -4.740 -15.768 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -1.042 -6.807 -19.493 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.282 -4.950 -15.576 1.00 1.10 H new ATOM 0 HE2 TYR A 32 1.395 -7.019 -19.302 1.00 0.12 H new ATOM 0 HH TYR A 32 3.112 -7.047 -17.473 1.00 34.31 H new ATOM 497 N THR A 33 -4.192 -2.884 -19.150 1.00 12.42 N ATOM 498 CA THR A 33 -5.202 -2.402 -20.085 1.00 70.00 C ATOM 499 C THR A 33 -5.248 -3.267 -21.339 1.00 44.51 C ATOM 500 O THR A 33 -4.292 -3.306 -22.113 1.00 22.54 O ATOM 501 CB THR A 33 -4.937 -0.940 -20.493 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.378 -0.218 -19.390 1.00 62.20 O ATOM 503 CG2 THR A 33 -6.222 -0.264 -20.948 1.00 52.41 C ATOM 0 H THR A 33 -3.286 -2.423 -19.233 1.00 12.42 H new ATOM 0 HA THR A 33 -6.162 -2.460 -19.572 1.00 70.00 H new ATOM 0 HB THR A 33 -4.231 -0.940 -21.323 1.00 0.30 H new ATOM 0 HG1 THR A 33 -4.211 0.710 -19.657 1.00 62.20 H new ATOM 0 HG21 THR A 33 -6.010 0.767 -21.231 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.631 -0.799 -21.805 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.947 -0.275 -20.134 1.00 52.41 H new ATOM 511 N PHE A 34 -6.366 -3.959 -21.535 1.00 20.02 N ATOM 512 CA PHE A 34 -6.537 -4.823 -22.696 1.00 51.35 C ATOM 513 C PHE A 34 -6.845 -4.003 -23.944 1.00 63.42 C ATOM 514 O PHE A 34 -7.864 -3.316 -24.013 1.00 51.44 O ATOM 515 CB PHE A 34 -7.658 -5.834 -22.445 1.00 74.40 C ATOM 516 CG PHE A 34 -8.056 -6.605 -23.672 1.00 73.23 C ATOM 517 CD1 PHE A 34 -7.093 -7.124 -24.522 1.00 15.04 C ATOM 518 CD2 PHE A 34 -9.392 -6.809 -23.975 1.00 54.34 C ATOM 519 CE1 PHE A 34 -7.455 -7.834 -25.651 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.761 -7.518 -25.103 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.791 -8.031 -25.942 1.00 71.33 C ATOM 0 H PHE A 34 -7.167 -3.938 -20.904 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.603 -5.360 -22.859 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -7.339 -6.534 -21.673 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.530 -5.308 -22.057 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -6.047 -6.972 -24.300 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -10.154 -6.410 -23.323 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.694 -8.234 -26.305 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.806 -7.671 -25.328 1.00 31.14 H new ATOM 0 HZ PHE A 34 -9.077 -8.585 -26.824 1.00 71.33 H new ATOM 531 N HIS A 35 -5.956 -4.080 -24.930 1.00 30.12 N ATOM 532 CA HIS A 35 -6.132 -3.345 -26.178 1.00 4.21 C ATOM 533 C HIS A 35 -6.074 -4.287 -27.376 1.00 71.42 C ATOM 534 O HIS A 35 -5.091 -5.003 -27.568 1.00 23.35 O ATOM 535 CB HIS A 35 -5.061 -2.263 -26.313 1.00 32.13 C ATOM 536 CG HIS A 35 -5.404 -0.990 -25.603 1.00 2.30 C ATOM 537 ND1 HIS A 35 -6.439 -0.887 -24.699 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.839 0.240 -25.668 1.00 54.12 C ATOM 539 CE1 HIS A 35 -6.499 0.351 -24.240 1.00 51.22 C ATOM 540 NE2 HIS A 35 -5.539 1.055 -24.813 1.00 32.22 N ATOM 0 H HIS A 35 -5.107 -4.644 -24.889 1.00 30.12 H new ATOM 0 HA HIS A 35 -7.114 -2.872 -26.157 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -4.118 -2.645 -25.921 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -4.904 -2.049 -27.370 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -7.062 -1.648 -24.427 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -3.995 0.526 -26.279 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -7.212 0.724 -23.519 1.00 51.22 H new ATOM 548 N ASP A 36 -7.133 -4.282 -28.178 1.00 25.23 N ATOM 549 CA ASP A 36 -7.202 -5.136 -29.359 1.00 42.21 C ATOM 550 C ASP A 36 -6.459 -4.504 -30.531 1.00 1.23 C ATOM 551 O ASP A 36 -6.518 -3.291 -30.735 1.00 31.51 O ATOM 552 CB ASP A 36 -8.660 -5.395 -29.742 1.00 24.32 C ATOM 553 CG ASP A 36 -8.809 -6.560 -30.701 1.00 34.45 C ATOM 554 OD1 ASP A 36 -8.738 -6.333 -31.927 1.00 70.42 O ATOM 555 OD2 ASP A 36 -8.994 -7.699 -30.225 1.00 21.31 O ATOM 0 H ASP A 36 -7.955 -3.696 -28.032 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.723 -6.086 -29.119 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -9.239 -5.594 -28.841 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -9.078 -4.497 -30.198 1.00 24.32 H new ATOM 560 N TYR A 37 -5.760 -5.333 -31.298 1.00 30.14 N ATOM 561 CA TYR A 37 -5.003 -4.854 -32.449 1.00 33.02 C ATOM 562 C TYR A 37 -5.878 -4.002 -33.362 1.00 52.25 C ATOM 563 O TYR A 37 -5.403 -3.056 -33.991 1.00 44.22 O ATOM 564 CB TYR A 37 -4.426 -6.035 -33.232 1.00 4.33 C ATOM 565 CG TYR A 37 -5.458 -6.782 -34.047 1.00 34.33 C ATOM 566 CD1 TYR A 37 -6.209 -7.806 -33.483 1.00 74.22 C ATOM 567 CD2 TYR A 37 -5.680 -6.464 -35.381 1.00 30.14 C ATOM 568 CE1 TYR A 37 -7.152 -8.491 -34.224 1.00 34.11 C ATOM 569 CE2 TYR A 37 -6.622 -7.144 -36.130 1.00 74.45 C ATOM 570 CZ TYR A 37 -7.356 -8.157 -35.546 1.00 12.12 C ATOM 571 OH TYR A 37 -8.294 -8.837 -36.289 1.00 41.03 O ATOM 0 H TYR A 37 -5.702 -6.340 -31.144 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.185 -4.235 -32.082 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.643 -5.671 -33.898 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.955 -6.728 -32.534 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -6.053 -8.071 -32.448 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -5.107 -5.672 -35.841 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -7.727 -9.285 -33.770 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -6.783 -6.884 -37.166 1.00 74.45 H new ATOM 0 HH TYR A 37 -8.313 -8.477 -37.200 1.00 41.03 H new ATOM 581 N LYS A 38 -7.161 -4.343 -33.428 1.00 0.11 N ATOM 582 CA LYS A 38 -8.106 -3.610 -34.261 1.00 54.34 C ATOM 583 C LYS A 38 -8.666 -2.404 -33.515 1.00 63.30 C ATOM 584 O LYS A 38 -8.729 -1.299 -34.058 1.00 51.11 O ATOM 585 CB LYS A 38 -9.249 -4.528 -34.700 1.00 63.31 C ATOM 586 CG LYS A 38 -10.207 -3.878 -35.683 1.00 54.42 C ATOM 587 CD LYS A 38 -9.567 -3.699 -37.049 1.00 63.40 C ATOM 588 CE LYS A 38 -9.650 -4.973 -37.875 1.00 74.30 C ATOM 589 NZ LYS A 38 -10.952 -5.089 -38.589 1.00 30.43 N ATOM 0 H LYS A 38 -7.570 -5.123 -32.914 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.575 -3.254 -35.144 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.829 -5.426 -35.154 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.806 -4.847 -33.819 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -11.104 -4.490 -35.778 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -10.522 -2.908 -35.298 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -10.063 -2.887 -37.581 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -8.523 -3.410 -36.928 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -8.836 -4.989 -38.600 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -9.515 -5.837 -37.224 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -10.968 -5.971 -39.140 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -11.728 -5.099 -37.897 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -11.070 -4.278 -39.229 1.00 30.43 H new ATOM 603 N LYS A 39 -9.071 -2.619 -32.269 1.00 13.11 N ATOM 604 CA LYS A 39 -9.623 -1.550 -31.447 1.00 43.13 C ATOM 605 C LYS A 39 -8.666 -0.362 -31.383 1.00 2.14 C ATOM 606 O LYS A 39 -9.073 0.784 -31.569 1.00 41.33 O ATOM 607 CB LYS A 39 -9.910 -2.060 -30.033 1.00 74.40 C ATOM 608 CG LYS A 39 -10.748 -1.107 -29.200 1.00 14.42 C ATOM 609 CD LYS A 39 -11.592 -1.851 -28.178 1.00 32.52 C ATOM 610 CE LYS A 39 -10.853 -2.014 -26.858 1.00 13.12 C ATOM 611 NZ LYS A 39 -10.070 -3.278 -26.813 1.00 4.24 N ATOM 0 H LYS A 39 -9.027 -3.526 -31.805 1.00 13.11 H new ATOM 0 HA LYS A 39 -10.556 -1.221 -31.905 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.424 -3.019 -30.099 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -8.964 -2.240 -29.522 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -10.095 -0.400 -28.688 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -11.397 -0.525 -29.854 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -12.523 -1.310 -28.011 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -11.859 -2.832 -28.570 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -10.183 -1.167 -26.710 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -11.570 -2.001 -26.037 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -9.155 -3.103 -26.351 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -10.598 -3.994 -26.275 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -9.909 -3.622 -27.781 1.00 4.24 H new ATOM 625 N GLU A 40 -7.394 -0.646 -31.123 1.00 43.23 N ATOM 626 CA GLU A 40 -6.381 0.399 -31.037 1.00 30.23 C ATOM 627 C GLU A 40 -6.023 0.925 -32.424 1.00 71.01 C ATOM 628 O GLU A 40 -5.571 2.059 -32.573 1.00 70.35 O ATOM 629 CB GLU A 40 -5.126 -0.131 -30.341 1.00 33.12 C ATOM 630 CG GLU A 40 -5.064 0.202 -28.860 1.00 71.13 C ATOM 631 CD GLU A 40 -4.699 1.650 -28.603 1.00 51.30 C ATOM 632 OE1 GLU A 40 -3.490 1.947 -28.499 1.00 11.55 O ATOM 633 OE2 GLU A 40 -5.620 2.487 -28.505 1.00 43.15 O ATOM 0 H GLU A 40 -7.041 -1.590 -30.968 1.00 43.23 H new ATOM 0 HA GLU A 40 -6.793 1.220 -30.451 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -5.083 -1.213 -30.463 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -4.246 0.281 -30.834 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -6.030 -0.012 -28.403 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -4.332 -0.445 -28.376 1.00 71.13 H new ATOM 640 N GLY A 41 -6.226 0.090 -33.438 1.00 12.45 N ATOM 641 CA GLY A 41 -5.920 0.487 -34.800 1.00 0.44 C ATOM 642 C GLY A 41 -4.428 0.596 -35.050 1.00 54.13 C ATOM 643 O GLY A 41 -3.812 1.615 -34.736 1.00 32.21 O ATOM 0 H GLY A 41 -6.597 -0.855 -33.341 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.349 -0.238 -35.492 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.392 1.447 -35.010 1.00 0.44 H new ATOM 647 N LEU A 42 -3.847 -0.457 -35.613 1.00 61.22 N ATOM 648 CA LEU A 42 -2.417 -0.476 -35.903 1.00 32.11 C ATOM 649 C LEU A 42 -2.121 0.224 -37.226 1.00 60.11 C ATOM 650 O LEU A 42 -2.459 -0.282 -38.297 1.00 61.12 O ATOM 651 CB LEU A 42 -1.905 -1.917 -35.950 1.00 31.00 C ATOM 652 CG LEU A 42 -0.440 -2.121 -35.565 1.00 10.43 C ATOM 653 CD1 LEU A 42 0.475 -1.399 -36.541 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.190 -1.641 -34.142 1.00 25.43 C ATOM 0 H LEU A 42 -4.343 -1.308 -35.878 1.00 61.22 H new ATOM 0 HA LEU A 42 -1.902 0.060 -35.106 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -2.522 -2.523 -35.286 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -2.051 -2.301 -36.960 1.00 31.00 H new ATOM 0 HG LEU A 42 -0.218 -3.187 -35.612 1.00 10.43 H new ATOM 0 HD11 LEU A 42 1.514 -1.556 -36.250 1.00 61.11 H new ATOM 0 HD12 LEU A 42 0.316 -1.790 -37.546 1.00 61.11 H new ATOM 0 HD13 LEU A 42 0.252 -0.332 -36.528 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.858 -1.794 -33.885 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.431 -0.580 -34.068 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -0.818 -2.204 -33.452 1.00 25.43 H new ATOM 666 N ASP A 43 -1.484 1.387 -37.144 1.00 24.10 N ATOM 667 CA ASP A 43 -1.138 2.154 -38.335 1.00 33.24 C ATOM 668 C ASP A 43 0.371 2.155 -38.563 1.00 21.14 C ATOM 669 O ASP A 43 1.129 1.615 -37.758 1.00 4.53 O ATOM 670 CB ASP A 43 -1.647 3.590 -38.207 1.00 14.14 C ATOM 671 CG ASP A 43 -1.952 4.219 -39.553 1.00 53.01 C ATOM 672 OD1 ASP A 43 -2.974 3.844 -40.165 1.00 4.11 O ATOM 673 OD2 ASP A 43 -1.169 5.086 -39.994 1.00 52.23 O ATOM 0 H ASP A 43 -1.197 1.819 -36.266 1.00 24.10 H new ATOM 0 HA ASP A 43 -1.616 1.681 -39.193 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -2.547 3.600 -37.592 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -0.901 4.192 -37.689 1.00 14.14 H new ATOM 678 N ALA A 44 0.798 2.762 -39.664 1.00 11.33 N ATOM 679 CA ALA A 44 2.215 2.833 -39.998 1.00 41.31 C ATOM 680 C ALA A 44 3.014 3.464 -38.862 1.00 2.35 C ATOM 681 O ALA A 44 4.099 2.993 -38.519 1.00 3.31 O ATOM 682 CB ALA A 44 2.416 3.617 -41.286 1.00 54.41 C ATOM 0 H ALA A 44 0.182 3.212 -40.341 1.00 11.33 H new ATOM 0 HA ALA A 44 2.580 1.817 -40.145 1.00 41.31 H new ATOM 0 HB1 ALA A 44 3.479 3.662 -41.523 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.884 3.124 -42.099 1.00 54.41 H new ATOM 0 HB3 ALA A 44 2.030 4.628 -41.160 1.00 54.41 H new ATOM 688 N GLU A 45 2.473 4.532 -38.284 1.00 21.11 N ATOM 689 CA GLU A 45 3.137 5.227 -37.189 1.00 32.33 C ATOM 690 C GLU A 45 3.482 4.259 -36.060 1.00 22.11 C ATOM 691 O GLU A 45 4.622 4.207 -35.597 1.00 3.32 O ATOM 692 CB GLU A 45 2.250 6.354 -36.657 1.00 25.10 C ATOM 693 CG GLU A 45 3.019 7.441 -35.926 1.00 65.44 C ATOM 694 CD GLU A 45 2.145 8.237 -34.977 1.00 54.25 C ATOM 695 OE1 GLU A 45 1.326 9.045 -35.463 1.00 31.22 O ATOM 696 OE2 GLU A 45 2.278 8.051 -33.749 1.00 35.42 O ATOM 0 H GLU A 45 1.576 4.934 -38.557 1.00 21.11 H new ATOM 0 HA GLU A 45 4.063 5.655 -37.573 1.00 32.33 H new ATOM 0 HB2 GLU A 45 1.708 6.802 -37.490 1.00 25.10 H new ATOM 0 HB3 GLU A 45 1.506 5.931 -35.982 1.00 25.10 H new ATOM 0 HG2 GLU A 45 3.837 6.988 -35.366 1.00 65.44 H new ATOM 0 HG3 GLU A 45 3.467 8.117 -36.655 1.00 65.44 H new ATOM 703 N THR A 46 2.488 3.495 -35.620 1.00 73.34 N ATOM 704 CA THR A 46 2.683 2.531 -34.545 1.00 14.20 C ATOM 705 C THR A 46 3.701 1.466 -34.939 1.00 20.44 C ATOM 706 O THR A 46 4.655 1.202 -34.205 1.00 51.10 O ATOM 707 CB THR A 46 1.361 1.842 -34.161 1.00 72.32 C ATOM 708 OG1 THR A 46 0.260 2.508 -34.789 1.00 61.33 O ATOM 709 CG2 THR A 46 1.167 1.846 -32.652 1.00 1.32 C ATOM 0 H THR A 46 1.539 3.525 -35.992 1.00 73.34 H new ATOM 0 HA THR A 46 3.057 3.088 -33.686 1.00 14.20 H new ATOM 0 HB THR A 46 1.404 0.808 -34.504 1.00 72.32 H new ATOM 0 HG1 THR A 46 -0.569 2.289 -34.314 1.00 61.33 H new ATOM 0 HG21 THR A 46 0.226 1.354 -32.405 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.991 1.313 -32.178 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.144 2.874 -32.291 1.00 1.32 H new ATOM 717 N LEU A 47 3.493 0.859 -36.102 1.00 41.05 N ATOM 718 CA LEU A 47 4.395 -0.178 -36.595 1.00 30.54 C ATOM 719 C LEU A 47 5.833 0.329 -36.643 1.00 4.21 C ATOM 720 O LEU A 47 6.757 -0.353 -36.198 1.00 62.44 O ATOM 721 CB LEU A 47 3.958 -0.642 -37.985 1.00 40.43 C ATOM 722 CG LEU A 47 4.354 -2.068 -38.372 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.867 -2.206 -38.425 1.00 72.53 C ATOM 724 CD2 LEU A 47 3.758 -3.070 -37.394 1.00 35.34 C ATOM 0 H LEU A 47 2.709 1.066 -36.721 1.00 41.05 H new ATOM 0 HA LEU A 47 4.350 -1.022 -35.907 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.873 -0.557 -38.050 1.00 40.43 H new ATOM 0 HB3 LEU A 47 4.376 0.043 -38.723 1.00 40.43 H new ATOM 0 HG LEU A 47 3.956 -2.279 -39.365 1.00 30.21 H new ATOM 0 HD11 LEU A 47 6.130 -3.227 -38.702 1.00 72.53 H new ATOM 0 HD12 LEU A 47 6.270 -1.514 -39.165 1.00 72.53 H new ATOM 0 HD13 LEU A 47 6.288 -1.976 -37.446 1.00 72.53 H new ATOM 0 HD21 LEU A 47 4.050 -4.079 -37.684 1.00 35.34 H new ATOM 0 HD22 LEU A 47 4.126 -2.861 -36.389 1.00 35.34 H new ATOM 0 HD23 LEU A 47 2.671 -2.989 -37.407 1.00 35.34 H new ATOM 736 N ASP A 48 6.014 1.529 -37.184 1.00 1.01 N ATOM 737 CA ASP A 48 7.339 2.128 -37.287 1.00 1.33 C ATOM 738 C ASP A 48 7.971 2.292 -35.909 1.00 4.12 C ATOM 739 O ASP A 48 9.102 1.862 -35.678 1.00 45.52 O ATOM 740 CB ASP A 48 7.255 3.486 -37.988 1.00 15.35 C ATOM 741 CG ASP A 48 8.578 4.225 -37.979 1.00 42.32 C ATOM 742 OD1 ASP A 48 9.632 3.556 -37.959 1.00 12.50 O ATOM 743 OD2 ASP A 48 8.560 5.473 -37.993 1.00 70.50 O ATOM 0 H ASP A 48 5.260 2.105 -37.558 1.00 1.01 H new ATOM 0 HA ASP A 48 7.967 1.461 -37.877 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.931 3.340 -39.018 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.497 4.098 -37.499 1.00 15.35 H new ATOM 748 N ARG A 49 7.234 2.916 -34.997 1.00 40.22 N ATOM 749 CA ARG A 49 7.723 3.139 -33.641 1.00 24.55 C ATOM 750 C ARG A 49 8.106 1.818 -32.977 1.00 53.00 C ATOM 751 O ARG A 49 9.081 1.749 -32.229 1.00 73.52 O ATOM 752 CB ARG A 49 6.660 3.853 -32.803 1.00 41.24 C ATOM 753 CG ARG A 49 6.844 5.360 -32.743 1.00 35.00 C ATOM 754 CD ARG A 49 6.463 6.021 -34.059 1.00 53.11 C ATOM 755 NE ARG A 49 6.814 7.438 -34.082 1.00 73.43 N ATOM 756 CZ ARG A 49 6.940 8.146 -35.198 1.00 12.33 C ATOM 757 NH1 ARG A 49 6.744 7.571 -36.378 1.00 1.45 N ATOM 758 NH2 ARG A 49 7.261 9.432 -35.138 1.00 21.11 N ATOM 0 H ARG A 49 6.296 3.276 -35.172 1.00 40.22 H new ATOM 0 HA ARG A 49 8.611 3.768 -33.701 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.675 3.632 -33.215 1.00 41.24 H new ATOM 0 HB3 ARG A 49 6.679 3.452 -31.789 1.00 41.24 H new ATOM 0 HG2 ARG A 49 6.234 5.770 -31.938 1.00 35.00 H new ATOM 0 HG3 ARG A 49 7.882 5.592 -32.505 1.00 35.00 H new ATOM 0 HD2 ARG A 49 6.966 5.510 -34.880 1.00 53.11 H new ATOM 0 HD3 ARG A 49 5.391 5.910 -34.223 1.00 53.11 H new ATOM 0 HE ARG A 49 6.971 7.910 -33.192 1.00 73.43 H new ATOM 0 HH11 ARG A 49 6.496 6.583 -36.429 1.00 1.45 H new ATOM 0 HH12 ARG A 49 6.841 8.117 -37.234 1.00 1.45 H new ATOM 0 HH21 ARG A 49 7.411 9.878 -34.233 1.00 21.11 H new ATOM 0 HH22 ARG A 49 7.357 9.974 -35.997 1.00 21.11 H new ATOM 772 N PHE A 50 7.333 0.775 -33.258 1.00 52.05 N ATOM 773 CA PHE A 50 7.591 -0.543 -32.688 1.00 23.30 C ATOM 774 C PHE A 50 8.808 -1.189 -33.342 1.00 71.14 C ATOM 775 O PHE A 50 9.538 -1.952 -32.705 1.00 40.10 O ATOM 776 CB PHE A 50 6.367 -1.444 -32.860 1.00 63.44 C ATOM 777 CG PHE A 50 5.238 -1.106 -31.929 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.468 -0.929 -30.574 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.946 -0.964 -32.409 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.431 -0.618 -29.715 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.904 -0.653 -31.554 1.00 41.31 C ATOM 782 CZ PHE A 50 3.148 -0.479 -30.207 1.00 24.45 C ATOM 0 H PHE A 50 6.523 0.816 -33.877 1.00 52.05 H new ATOM 0 HA PHE A 50 7.795 -0.418 -31.625 1.00 23.30 H new ATOM 0 HB2 PHE A 50 6.014 -1.371 -33.888 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.663 -2.480 -32.698 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.470 -1.035 -30.185 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.750 -1.098 -33.463 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.624 -0.484 -28.661 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.901 -0.547 -31.940 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.336 -0.234 -29.538 1.00 24.45 H new ATOM 792 N LEU A 51 9.023 -0.879 -34.616 1.00 22.50 N ATOM 793 CA LEU A 51 10.152 -1.430 -35.358 1.00 0.23 C ATOM 794 C LEU A 51 11.471 -0.869 -34.837 1.00 53.31 C ATOM 795 O LEU A 51 12.389 -1.618 -34.504 1.00 22.12 O ATOM 796 CB LEU A 51 10.007 -1.123 -36.849 1.00 24.51 C ATOM 797 CG LEU A 51 10.693 -2.098 -37.806 1.00 22.33 C ATOM 798 CD1 LEU A 51 12.199 -2.081 -37.596 1.00 70.24 C ATOM 799 CD2 LEU A 51 10.142 -3.504 -37.618 1.00 23.22 C ATOM 0 H LEU A 51 8.430 -0.249 -35.157 1.00 22.50 H new ATOM 0 HA LEU A 51 10.156 -2.511 -35.215 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.945 -1.094 -37.092 1.00 24.51 H new ATOM 0 HB3 LEU A 51 10.403 -0.125 -37.034 1.00 24.51 H new ATOM 0 HG LEU A 51 10.486 -1.781 -38.828 1.00 22.33 H new ATOM 0 HD11 LEU A 51 12.670 -2.781 -38.286 1.00 70.24 H new ATOM 0 HD12 LEU A 51 12.581 -1.077 -37.781 1.00 70.24 H new ATOM 0 HD13 LEU A 51 12.427 -2.373 -36.571 1.00 70.24 H new ATOM 0 HD21 LEU A 51 10.641 -4.186 -38.307 1.00 23.22 H new ATOM 0 HD22 LEU A 51 10.319 -3.830 -36.593 1.00 23.22 H new ATOM 0 HD23 LEU A 51 9.071 -3.505 -37.819 1.00 23.22 H new ATOM 811 N LYS A 52 11.558 0.456 -34.767 1.00 72.22 N ATOM 812 CA LYS A 52 12.763 1.120 -34.282 1.00 13.04 C ATOM 813 C LYS A 52 13.101 0.668 -32.866 1.00 1.22 C ATOM 814 O LYS A 52 14.262 0.691 -32.456 1.00 22.51 O ATOM 815 CB LYS A 52 12.581 2.638 -34.315 1.00 14.41 C ATOM 816 CG LYS A 52 13.789 3.384 -34.857 1.00 64.25 C ATOM 817 CD LYS A 52 14.748 3.775 -33.746 1.00 12.02 C ATOM 818 CE LYS A 52 15.725 4.847 -34.204 1.00 32.31 C ATOM 819 NZ LYS A 52 16.872 4.267 -34.956 1.00 13.43 N ATOM 0 H LYS A 52 10.808 1.091 -35.040 1.00 72.22 H new ATOM 0 HA LYS A 52 13.589 0.845 -34.938 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.712 2.878 -34.927 1.00 14.41 H new ATOM 0 HB3 LYS A 52 12.368 2.992 -33.306 1.00 14.41 H new ATOM 0 HG2 LYS A 52 14.308 2.759 -35.583 1.00 64.25 H new ATOM 0 HG3 LYS A 52 13.458 4.278 -35.385 1.00 64.25 H new ATOM 0 HD2 LYS A 52 14.183 4.139 -32.888 1.00 12.02 H new ATOM 0 HD3 LYS A 52 15.300 2.896 -33.414 1.00 12.02 H new ATOM 0 HE2 LYS A 52 15.204 5.567 -34.835 1.00 32.31 H new ATOM 0 HE3 LYS A 52 16.098 5.393 -33.337 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 17.515 5.029 -35.251 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 17.384 3.598 -34.346 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 16.519 3.768 -35.797 1.00 13.43 H new ATOM 833 N THR A 53 12.080 0.255 -32.121 1.00 24.20 N ATOM 834 CA THR A 53 12.270 -0.203 -30.751 1.00 34.52 C ATOM 835 C THR A 53 12.576 -1.696 -30.706 1.00 21.14 C ATOM 836 O THR A 53 13.282 -2.169 -29.816 1.00 72.44 O ATOM 837 CB THR A 53 11.027 0.081 -29.887 1.00 24.53 C ATOM 838 OG1 THR A 53 10.694 1.472 -29.947 1.00 13.12 O ATOM 839 CG2 THR A 53 11.268 -0.326 -28.441 1.00 64.44 C ATOM 0 H THR A 53 11.113 0.229 -32.444 1.00 24.20 H new ATOM 0 HA THR A 53 13.118 0.350 -30.348 1.00 34.52 H new ATOM 0 HB THR A 53 10.198 -0.507 -30.280 1.00 24.53 H new ATOM 0 HG1 THR A 53 10.128 1.639 -30.729 1.00 13.12 H new ATOM 0 HG21 THR A 53 10.376 -0.116 -27.850 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.491 -1.392 -28.395 1.00 64.44 H new ATOM 0 HG23 THR A 53 12.110 0.238 -28.040 1.00 64.44 H new ATOM 847 N VAL A 54 12.041 -2.434 -31.673 1.00 5.34 N ATOM 848 CA VAL A 54 12.257 -3.874 -31.746 1.00 43.11 C ATOM 849 C VAL A 54 12.255 -4.358 -33.192 1.00 50.42 C ATOM 850 O VAL A 54 11.386 -4.005 -33.989 1.00 41.32 O ATOM 851 CB VAL A 54 11.182 -4.644 -30.957 1.00 32.21 C ATOM 852 CG1 VAL A 54 11.437 -6.142 -31.030 1.00 15.02 C ATOM 853 CG2 VAL A 54 11.143 -4.172 -29.511 1.00 51.22 C ATOM 0 H VAL A 54 11.454 -2.058 -32.418 1.00 5.34 H new ATOM 0 HA VAL A 54 13.233 -4.070 -31.302 1.00 43.11 H new ATOM 0 HB VAL A 54 10.210 -4.442 -31.408 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.667 -6.670 -30.467 1.00 15.02 H new ATOM 0 HG12 VAL A 54 11.411 -6.465 -32.071 1.00 15.02 H new ATOM 0 HG13 VAL A 54 12.415 -6.366 -30.605 1.00 15.02 H new ATOM 0 HG21 VAL A 54 10.378 -4.727 -28.968 1.00 51.22 H new ATOM 0 HG22 VAL A 54 12.114 -4.343 -29.046 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.909 -3.108 -29.482 1.00 51.22 H new ATOM 863 N PRO A 55 13.252 -5.186 -33.540 1.00 2.25 N ATOM 864 CA PRO A 55 13.387 -5.737 -34.891 1.00 2.03 C ATOM 865 C PRO A 55 12.298 -6.754 -35.214 1.00 74.41 C ATOM 866 O PRO A 55 11.933 -7.575 -34.372 1.00 51.24 O ATOM 867 CB PRO A 55 14.759 -6.414 -34.862 1.00 33.24 C ATOM 868 CG PRO A 55 14.990 -6.741 -33.428 1.00 34.23 C ATOM 869 CD PRO A 55 14.323 -5.648 -32.640 1.00 62.25 C ATOM 0 HA PRO A 55 13.292 -4.967 -35.657 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.770 -7.312 -35.480 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.535 -5.753 -35.247 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.569 -7.715 -33.177 1.00 34.23 H new ATOM 0 HG3 PRO A 55 16.056 -6.787 -33.205 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.923 -6.019 -31.696 1.00 62.25 H new ATOM 0 HD3 PRO A 55 15.019 -4.845 -32.397 1.00 62.25 H new ATOM 877 N TRP A 56 11.782 -6.694 -36.436 1.00 2.13 N ATOM 878 CA TRP A 56 10.733 -7.611 -36.869 1.00 72.32 C ATOM 879 C TRP A 56 11.142 -9.059 -36.626 1.00 33.30 C ATOM 880 O TRP A 56 10.295 -9.921 -36.393 1.00 54.31 O ATOM 881 CB TRP A 56 10.423 -7.398 -38.352 1.00 43.12 C ATOM 882 CG TRP A 56 11.629 -7.507 -39.234 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.490 -6.501 -39.572 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.109 -8.685 -39.889 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.475 -6.985 -40.400 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.264 -8.322 -40.608 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.676 -10.013 -39.937 1.00 64.22 C ATOM 888 CZ2 TRP A 56 13.988 -9.239 -41.367 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.396 -10.922 -40.690 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.542 -10.532 -41.395 1.00 14.15 C ATOM 0 H TRP A 56 12.072 -6.020 -37.145 1.00 2.13 H new ATOM 0 HA TRP A 56 9.837 -7.403 -36.283 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.682 -8.132 -38.670 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.973 -6.414 -38.484 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.409 -5.477 -39.238 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.239 -6.437 -40.795 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.795 -10.324 -39.396 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.870 -8.940 -41.914 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.069 -11.950 -40.735 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.084 -11.267 -41.972 1.00 14.15 H new ATOM 901 N GLU A 57 12.445 -9.319 -36.679 1.00 24.51 N ATOM 902 CA GLU A 57 12.964 -10.665 -36.464 1.00 64.15 C ATOM 903 C GLU A 57 12.451 -11.242 -35.148 1.00 74.11 C ATOM 904 O GLU A 57 12.243 -12.449 -35.028 1.00 43.02 O ATOM 905 CB GLU A 57 14.494 -10.652 -36.466 1.00 44.32 C ATOM 906 CG GLU A 57 15.098 -9.941 -35.267 1.00 74.32 C ATOM 907 CD GLU A 57 16.404 -9.243 -35.598 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.450 -8.524 -36.618 1.00 73.32 O ATOM 909 OE2 GLU A 57 17.378 -9.418 -34.837 1.00 35.22 O ATOM 0 H GLU A 57 13.160 -8.616 -36.869 1.00 24.51 H new ATOM 0 HA GLU A 57 12.612 -11.297 -37.279 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.858 -11.679 -36.490 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.844 -10.169 -37.378 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.386 -9.209 -34.887 1.00 74.32 H new ATOM 0 HG3 GLU A 57 15.269 -10.664 -34.469 1.00 74.32 H new ATOM 916 N GLN A 58 12.250 -10.370 -34.165 1.00 73.33 N ATOM 917 CA GLN A 58 11.763 -10.794 -32.857 1.00 13.45 C ATOM 918 C GLN A 58 10.446 -10.103 -32.518 1.00 24.32 C ATOM 919 O GLN A 58 10.105 -9.937 -31.346 1.00 52.14 O ATOM 920 CB GLN A 58 12.805 -10.489 -31.778 1.00 52.31 C ATOM 921 CG GLN A 58 14.042 -11.369 -31.862 1.00 2.22 C ATOM 922 CD GLN A 58 14.719 -11.552 -30.518 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.627 -10.692 -29.641 1.00 12.51 O ATOM 924 NE2 GLN A 58 15.404 -12.678 -30.348 1.00 11.14 N ATOM 0 H GLN A 58 12.416 -9.367 -34.249 1.00 73.33 H new ATOM 0 HA GLN A 58 11.590 -11.870 -32.892 1.00 13.45 H new ATOM 0 HB2 GLN A 58 13.106 -9.445 -31.860 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.347 -10.613 -30.797 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.763 -12.345 -32.260 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.750 -10.929 -32.564 1.00 2.22 H new ATOM 0 HE21 GLN A 58 15.454 -13.363 -31.102 1.00 11.14 H new ATOM 0 HE22 GLN A 58 15.880 -12.857 -29.464 1.00 11.14 H new ATOM 933 N LEU A 59 9.710 -9.705 -33.549 1.00 41.15 N ATOM 934 CA LEU A 59 8.430 -9.033 -33.360 1.00 23.12 C ATOM 935 C LEU A 59 7.289 -9.861 -33.942 1.00 51.11 C ATOM 936 O LEU A 59 6.150 -9.783 -33.477 1.00 4.12 O ATOM 937 CB LEU A 59 8.456 -7.649 -34.014 1.00 20.44 C ATOM 938 CG LEU A 59 7.503 -6.610 -33.424 1.00 33.41 C ATOM 939 CD1 LEU A 59 8.052 -6.064 -32.115 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.264 -5.481 -34.416 1.00 61.44 C ATOM 0 H LEU A 59 9.978 -9.836 -34.525 1.00 41.15 H new ATOM 0 HA LEU A 59 8.262 -8.919 -32.289 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.472 -7.258 -33.951 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.225 -7.765 -35.073 1.00 20.44 H new ATOM 0 HG LEU A 59 6.549 -7.096 -33.220 1.00 33.41 H new ATOM 0 HD11 LEU A 59 7.360 -5.326 -31.710 1.00 5.54 H new ATOM 0 HD12 LEU A 59 8.171 -6.880 -31.402 1.00 5.54 H new ATOM 0 HD13 LEU A 59 9.019 -5.595 -32.294 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.583 -4.751 -33.979 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.212 -4.998 -34.652 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.826 -5.885 -35.328 1.00 61.44 H new ATOM 952 N LEU A 60 7.601 -10.655 -34.960 1.00 55.45 N ATOM 953 CA LEU A 60 6.602 -11.501 -35.605 1.00 62.31 C ATOM 954 C LEU A 60 6.942 -12.977 -35.427 1.00 44.10 C ATOM 955 O LEU A 60 8.111 -13.348 -35.336 1.00 61.30 O ATOM 956 CB LEU A 60 6.505 -11.164 -37.095 1.00 44.32 C ATOM 957 CG LEU A 60 7.576 -11.783 -37.993 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.972 -12.861 -38.880 1.00 41.24 C ATOM 959 CD2 LEU A 60 8.249 -10.710 -38.837 1.00 71.44 C ATOM 0 H LEU A 60 8.538 -10.731 -35.357 1.00 55.45 H new ATOM 0 HA LEU A 60 5.639 -11.309 -35.132 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.527 -11.483 -37.456 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.548 -10.080 -37.206 1.00 44.32 H new ATOM 0 HG LEU A 60 8.332 -12.246 -37.359 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.750 -13.290 -39.512 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.538 -13.643 -38.257 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.195 -12.423 -39.507 1.00 41.24 H new ATOM 0 HD21 LEU A 60 9.009 -11.168 -39.470 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.504 -10.218 -39.462 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.717 -9.974 -38.184 1.00 71.44 H new ATOM 971 N ASN A 61 5.910 -13.814 -35.378 1.00 14.22 N ATOM 972 CA ASN A 61 6.100 -15.251 -35.212 1.00 33.24 C ATOM 973 C ASN A 61 7.086 -15.792 -36.243 1.00 54.15 C ATOM 974 O ASN A 61 7.105 -15.350 -37.391 1.00 1.23 O ATOM 975 CB ASN A 61 4.760 -15.981 -35.339 1.00 52.35 C ATOM 976 CG ASN A 61 3.897 -15.416 -36.451 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.828 -14.860 -36.199 1.00 42.20 O ATOM 978 ND2 ASN A 61 4.359 -15.557 -37.688 1.00 71.33 N ATOM 0 H ASN A 61 4.935 -13.523 -35.451 1.00 14.22 H new ATOM 0 HA ASN A 61 6.509 -15.426 -34.217 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.942 -17.039 -35.526 1.00 52.35 H new ATOM 0 HB3 ASN A 61 4.221 -15.913 -34.394 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.822 -15.197 -38.477 1.00 71.33 H new ATOM 0 HD22 ASN A 61 5.251 -16.025 -37.849 1.00 71.33 H new ATOM 985 N ARG A 62 7.904 -16.752 -35.824 1.00 14.43 N ATOM 986 CA ARG A 62 8.893 -17.354 -36.710 1.00 62.32 C ATOM 987 C ARG A 62 8.472 -18.762 -37.119 1.00 71.20 C ATOM 988 O ARG A 62 8.356 -19.065 -38.306 1.00 73.11 O ATOM 989 CB ARG A 62 10.261 -17.399 -36.025 1.00 1.22 C ATOM 990 CG ARG A 62 10.908 -16.032 -35.868 1.00 71.45 C ATOM 991 CD ARG A 62 10.600 -15.424 -34.507 1.00 72.42 C ATOM 992 NE ARG A 62 11.220 -16.178 -33.420 1.00 15.00 N ATOM 993 CZ ARG A 62 12.526 -16.182 -33.180 1.00 45.11 C ATOM 994 NH1 ARG A 62 13.348 -15.477 -33.947 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.015 -16.892 -32.171 1.00 4.03 N ATOM 0 H ARG A 62 7.901 -17.130 -34.876 1.00 14.43 H new ATOM 0 HA ARG A 62 8.962 -16.739 -37.607 1.00 62.32 H new ATOM 0 HB2 ARG A 62 10.151 -17.855 -35.041 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.926 -18.042 -36.601 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.987 -16.122 -35.992 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.551 -15.367 -36.654 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.954 -14.393 -34.482 1.00 72.42 H new ATOM 0 HD3 ARG A 62 9.521 -15.394 -34.359 1.00 72.42 H new ATOM 0 HE ARG A 62 10.617 -16.732 -32.812 1.00 15.00 H new ATOM 0 HH11 ARG A 62 12.977 -14.930 -34.724 1.00 32.15 H new ATOM 0 HH12 ARG A 62 14.351 -15.482 -33.760 1.00 32.15 H new ATOM 0 HH21 ARG A 62 12.387 -17.436 -31.579 1.00 4.03 H new ATOM 0 HH22 ARG A 62 14.018 -16.894 -31.988 1.00 4.03 H new ATOM 1009 N ALA A 63 8.244 -19.618 -36.128 1.00 13.41 N ATOM 1010 CA ALA A 63 7.834 -20.992 -36.385 1.00 11.25 C ATOM 1011 C ALA A 63 6.317 -21.136 -36.311 1.00 40.23 C ATOM 1012 O ALA A 63 5.799 -22.215 -36.024 1.00 15.22 O ATOM 1013 CB ALA A 63 8.504 -21.937 -35.399 1.00 4.01 C ATOM 0 H ALA A 63 8.337 -19.383 -35.140 1.00 13.41 H new ATOM 0 HA ALA A 63 8.149 -21.255 -37.395 1.00 11.25 H new ATOM 0 HB1 ALA A 63 8.188 -22.960 -35.603 1.00 4.01 H new ATOM 0 HB2 ALA A 63 9.587 -21.864 -35.503 1.00 4.01 H new ATOM 0 HB3 ALA A 63 8.218 -21.665 -34.383 1.00 4.01 H new ATOM 1019 N GLY A 64 5.609 -20.040 -36.568 1.00 15.42 N ATOM 1020 CA GLY A 64 4.159 -20.065 -36.523 1.00 64.14 C ATOM 1021 C GLY A 64 3.543 -20.360 -37.877 1.00 10.02 C ATOM 1022 O GLY A 64 4.202 -20.231 -38.909 1.00 62.15 O ATOM 0 H GLY A 64 6.014 -19.135 -36.807 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.834 -20.819 -35.807 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.793 -19.104 -36.162 1.00 64.14 H new ATOM 1026 N THR A 65 2.274 -20.757 -37.874 1.00 32.42 N ATOM 1027 CA THR A 65 1.570 -21.074 -39.109 1.00 14.14 C ATOM 1028 C THR A 65 1.420 -19.838 -39.989 1.00 2.22 C ATOM 1029 O THR A 65 1.457 -19.927 -41.217 1.00 74.54 O ATOM 1030 CB THR A 65 0.174 -21.660 -38.826 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.569 -20.771 -37.983 1.00 71.44 O ATOM 1032 CG2 THR A 65 0.284 -23.024 -38.162 1.00 24.43 C ATOM 0 H THR A 65 1.713 -20.866 -37.029 1.00 32.42 H new ATOM 0 HA THR A 65 2.170 -21.819 -39.632 1.00 14.14 H new ATOM 0 HB THR A 65 -0.346 -21.778 -39.777 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.456 -21.150 -37.809 1.00 71.44 H new ATOM 0 HG21 THR A 65 -0.714 -23.418 -37.972 1.00 24.43 H new ATOM 0 HG22 THR A 65 0.824 -23.706 -38.819 1.00 24.43 H new ATOM 0 HG23 THR A 65 0.821 -22.927 -37.219 1.00 24.43 H new ATOM 1040 N THR A 66 1.253 -18.682 -39.354 1.00 75.01 N ATOM 1041 CA THR A 66 1.098 -17.427 -40.079 1.00 24.34 C ATOM 1042 C THR A 66 2.237 -17.219 -41.068 1.00 70.12 C ATOM 1043 O THR A 66 2.021 -16.775 -42.196 1.00 31.44 O ATOM 1044 CB THR A 66 1.043 -16.226 -39.117 1.00 53.23 C ATOM 1045 OG1 THR A 66 1.769 -16.524 -37.919 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.395 -15.874 -38.770 1.00 2.54 C ATOM 0 H THR A 66 1.222 -18.589 -38.339 1.00 75.01 H new ATOM 0 HA THR A 66 0.156 -17.491 -40.623 1.00 24.34 H new ATOM 0 HB THR A 66 1.499 -15.370 -39.615 1.00 53.23 H new ATOM 0 HG1 THR A 66 1.711 -15.763 -37.304 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.407 -15.023 -38.089 1.00 2.54 H new ATOM 0 HG22 THR A 66 -0.937 -15.618 -39.681 1.00 2.54 H new ATOM 0 HG23 THR A 66 -0.873 -16.728 -38.291 1.00 2.54 H new ATOM 1054 N PHE A 67 3.453 -17.544 -40.641 1.00 31.33 N ATOM 1055 CA PHE A 67 4.628 -17.393 -41.491 1.00 51.22 C ATOM 1056 C PHE A 67 4.691 -18.503 -42.535 1.00 2.20 C ATOM 1057 O PHE A 67 5.125 -18.283 -43.666 1.00 62.22 O ATOM 1058 CB PHE A 67 5.902 -17.402 -40.643 1.00 14.00 C ATOM 1059 CG PHE A 67 7.140 -17.047 -41.416 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.731 -17.970 -42.263 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.711 -15.790 -41.296 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.871 -17.645 -42.975 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.850 -15.460 -42.005 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.430 -16.389 -42.847 1.00 75.02 C ATOM 0 H PHE A 67 3.650 -17.914 -39.711 1.00 31.33 H new ATOM 0 HA PHE A 67 4.550 -16.437 -42.008 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.785 -16.699 -39.818 1.00 14.00 H new ATOM 0 HB3 PHE A 67 6.029 -18.391 -40.203 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.297 -18.953 -42.368 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.260 -15.060 -40.640 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.324 -18.373 -43.631 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.286 -14.477 -41.901 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.319 -16.133 -43.404 1.00 75.02 H new ATOM 1074 N ARG A 68 4.257 -19.698 -42.146 1.00 35.20 N ATOM 1075 CA ARG A 68 4.264 -20.845 -43.048 1.00 13.24 C ATOM 1076 C ARG A 68 3.161 -20.722 -44.093 1.00 42.44 C ATOM 1077 O ARG A 68 3.139 -21.459 -45.079 1.00 51.04 O ATOM 1078 CB ARG A 68 4.091 -22.142 -42.257 1.00 65.20 C ATOM 1079 CG ARG A 68 5.405 -22.781 -41.838 1.00 50.00 C ATOM 1080 CD ARG A 68 5.254 -24.279 -41.627 1.00 44.21 C ATOM 1081 NE ARG A 68 4.858 -24.968 -42.852 1.00 1.04 N ATOM 1082 CZ ARG A 68 5.706 -25.288 -43.823 1.00 43.45 C ATOM 1083 NH1 ARG A 68 6.992 -24.986 -43.710 1.00 73.52 N ATOM 1084 NH2 ARG A 68 5.269 -25.915 -44.908 1.00 33.20 N ATOM 0 H ARG A 68 3.896 -19.897 -41.213 1.00 35.20 H new ATOM 0 HA ARG A 68 5.225 -20.866 -43.562 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.496 -21.938 -41.367 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.527 -22.853 -42.861 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.161 -22.594 -42.601 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.759 -22.317 -40.918 1.00 50.00 H new ATOM 0 HD2 ARG A 68 6.197 -24.691 -41.268 1.00 44.21 H new ATOM 0 HD3 ARG A 68 4.510 -24.463 -40.852 1.00 44.21 H new ATOM 0 HE ARG A 68 3.876 -25.217 -42.969 1.00 1.04 H new ATOM 0 HH11 ARG A 68 7.332 -24.507 -42.876 1.00 73.52 H new ATOM 0 HH12 ARG A 68 7.641 -25.233 -44.457 1.00 73.52 H new ATOM 0 HH21 ARG A 68 4.281 -26.152 -44.997 1.00 33.20 H new ATOM 0 HH22 ARG A 68 5.921 -26.160 -45.653 1.00 33.20 H new ATOM 1098 N LYS A 69 2.243 -19.786 -43.871 1.00 73.43 N ATOM 1099 CA LYS A 69 1.136 -19.565 -44.794 1.00 73.42 C ATOM 1100 C LYS A 69 1.649 -19.170 -46.175 1.00 41.12 C ATOM 1101 O LYS A 69 1.044 -19.507 -47.193 1.00 52.53 O ATOM 1102 CB LYS A 69 0.205 -18.477 -44.254 1.00 31.13 C ATOM 1103 CG LYS A 69 -1.025 -18.248 -45.114 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.035 -19.371 -44.955 1.00 50.32 C ATOM 1105 CE LYS A 69 -2.921 -19.157 -43.737 1.00 72.15 C ATOM 1106 NZ LYS A 69 -2.309 -19.719 -42.501 1.00 71.33 N ATOM 0 H LYS A 69 2.244 -19.168 -43.059 1.00 73.43 H new ATOM 0 HA LYS A 69 0.580 -20.498 -44.886 1.00 73.42 H new ATOM 0 HB2 LYS A 69 -0.111 -18.748 -43.247 1.00 31.13 H new ATOM 0 HB3 LYS A 69 0.760 -17.543 -44.173 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -1.489 -17.300 -44.842 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.729 -18.170 -46.160 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.654 -19.434 -45.850 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -1.511 -20.322 -44.862 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -3.100 -18.090 -43.601 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -3.891 -19.624 -43.907 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -3.051 -20.144 -41.909 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -1.612 -20.447 -42.759 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -1.836 -18.959 -41.971 1.00 71.33 H new ATOM 1120 N LEU A 70 2.769 -18.456 -46.204 1.00 1.50 N ATOM 1121 CA LEU A 70 3.365 -18.016 -47.460 1.00 30.25 C ATOM 1122 C LEU A 70 4.278 -19.094 -48.036 1.00 52.51 C ATOM 1123 O LEU A 70 4.768 -19.971 -47.325 1.00 53.44 O ATOM 1124 CB LEU A 70 4.153 -16.722 -47.249 1.00 30.13 C ATOM 1125 CG LEU A 70 3.350 -15.424 -47.342 1.00 75.04 C ATOM 1126 CD1 LEU A 70 2.105 -15.504 -46.472 1.00 23.34 C ATOM 1127 CD2 LEU A 70 4.210 -14.236 -46.937 1.00 52.00 C ATOM 0 H LEU A 70 3.283 -18.169 -45.371 1.00 1.50 H new ATOM 0 HA LEU A 70 2.559 -17.830 -48.170 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.625 -16.764 -46.268 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.954 -16.684 -47.987 1.00 30.13 H new ATOM 0 HG LEU A 70 3.037 -15.285 -48.377 1.00 75.04 H new ATOM 0 HD11 LEU A 70 1.546 -14.572 -46.550 1.00 23.34 H new ATOM 0 HD12 LEU A 70 1.480 -16.332 -46.807 1.00 23.34 H new ATOM 0 HD13 LEU A 70 2.396 -15.666 -45.434 1.00 23.34 H new ATOM 0 HD21 LEU A 70 3.623 -13.320 -47.009 1.00 52.00 H new ATOM 0 HD22 LEU A 70 4.552 -14.368 -45.911 1.00 52.00 H new ATOM 0 HD23 LEU A 70 5.072 -14.168 -47.601 1.00 52.00 H new ATOM 1139 N PRO A 71 4.515 -19.026 -49.354 1.00 40.12 N ATOM 1140 CA PRO A 71 5.373 -19.987 -50.054 1.00 21.41 C ATOM 1141 C PRO A 71 6.844 -19.828 -49.683 1.00 4.43 C ATOM 1142 O PRO A 71 7.202 -18.961 -48.886 1.00 61.04 O ATOM 1143 CB PRO A 71 5.155 -19.646 -51.531 1.00 10.33 C ATOM 1144 CG PRO A 71 4.743 -18.214 -51.534 1.00 64.15 C ATOM 1145 CD PRO A 71 3.964 -18.006 -50.264 1.00 72.42 C ATOM 0 HA PRO A 71 5.125 -21.017 -49.798 1.00 21.41 H new ATOM 0 HB2 PRO A 71 6.066 -19.797 -52.110 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.387 -20.280 -51.974 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.612 -17.558 -51.571 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.133 -17.985 -52.408 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.101 -16.999 -49.869 1.00 72.42 H new ATOM 0 HD3 PRO A 71 2.894 -18.144 -50.422 1.00 72.42 H new ATOM 1153 N GLU A 72 7.691 -20.671 -50.265 1.00 64.42 N ATOM 1154 CA GLU A 72 9.122 -20.624 -49.993 1.00 2.33 C ATOM 1155 C GLU A 72 9.756 -19.388 -50.625 1.00 32.21 C ATOM 1156 O GLU A 72 10.644 -18.765 -50.042 1.00 64.11 O ATOM 1157 CB GLU A 72 9.807 -21.887 -50.522 1.00 3.30 C ATOM 1158 CG GLU A 72 9.629 -22.095 -52.016 1.00 14.02 C ATOM 1159 CD GLU A 72 9.939 -23.514 -52.449 1.00 23.34 C ATOM 1160 OE1 GLU A 72 9.117 -24.412 -52.171 1.00 4.25 O ATOM 1161 OE2 GLU A 72 11.004 -23.727 -53.066 1.00 2.14 O ATOM 0 H GLU A 72 7.411 -21.394 -50.927 1.00 64.42 H new ATOM 0 HA GLU A 72 9.258 -20.570 -48.913 1.00 2.33 H new ATOM 0 HB2 GLU A 72 10.872 -21.835 -50.295 1.00 3.30 H new ATOM 0 HB3 GLU A 72 9.411 -22.754 -49.993 1.00 3.30 H new ATOM 0 HG2 GLU A 72 8.604 -21.850 -52.293 1.00 14.02 H new ATOM 0 HG3 GLU A 72 10.278 -21.405 -52.555 1.00 14.02 H new ATOM 1168 N ASP A 73 9.292 -19.037 -51.820 1.00 54.44 N ATOM 1169 CA ASP A 73 9.812 -17.875 -52.531 1.00 22.54 C ATOM 1170 C ASP A 73 9.484 -16.587 -51.780 1.00 73.43 C ATOM 1171 O ASP A 73 10.366 -15.770 -51.515 1.00 20.35 O ATOM 1172 CB ASP A 73 9.233 -17.816 -53.946 1.00 11.40 C ATOM 1173 CG ASP A 73 9.729 -18.950 -54.821 1.00 35.22 C ATOM 1174 OD1 ASP A 73 10.958 -19.155 -54.886 1.00 64.21 O ATOM 1175 OD2 ASP A 73 8.886 -19.632 -55.442 1.00 60.34 O ATOM 0 H ASP A 73 8.557 -19.541 -52.316 1.00 54.44 H new ATOM 0 HA ASP A 73 10.896 -17.972 -52.593 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.145 -17.851 -53.892 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.499 -16.864 -54.405 1.00 11.40 H new ATOM 1180 N VAL A 74 8.212 -16.414 -51.440 1.00 22.21 N ATOM 1181 CA VAL A 74 7.768 -15.226 -50.721 1.00 51.24 C ATOM 1182 C VAL A 74 8.371 -15.175 -49.321 1.00 71.30 C ATOM 1183 O VAL A 74 8.607 -14.097 -48.775 1.00 64.14 O ATOM 1184 CB VAL A 74 6.232 -15.179 -50.608 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.799 -14.041 -49.696 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.602 -15.039 -51.985 1.00 20.32 C ATOM 0 H VAL A 74 7.470 -17.081 -51.651 1.00 22.21 H new ATOM 0 HA VAL A 74 8.109 -14.363 -51.293 1.00 51.24 H new ATOM 0 HB VAL A 74 5.887 -16.115 -50.169 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.711 -14.023 -49.628 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.222 -14.190 -48.703 1.00 2.42 H new ATOM 0 HG13 VAL A 74 6.153 -13.094 -50.103 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.517 -15.007 -51.887 1.00 20.32 H new ATOM 0 HG22 VAL A 74 5.951 -14.119 -52.453 1.00 20.32 H new ATOM 0 HG23 VAL A 74 5.886 -15.891 -52.603 1.00 20.32 H new ATOM 1196 N ARG A 75 8.618 -16.348 -48.746 1.00 32.22 N ATOM 1197 CA ARG A 75 9.193 -16.436 -47.409 1.00 2.22 C ATOM 1198 C ARG A 75 10.680 -16.096 -47.433 1.00 43.01 C ATOM 1199 O ARG A 75 11.244 -15.660 -46.430 1.00 52.32 O ATOM 1200 CB ARG A 75 8.988 -17.839 -46.835 1.00 70.20 C ATOM 1201 CG ARG A 75 7.636 -18.035 -46.171 1.00 33.21 C ATOM 1202 CD ARG A 75 7.486 -19.442 -45.612 1.00 64.25 C ATOM 1203 NE ARG A 75 7.865 -20.460 -46.588 1.00 60.01 N ATOM 1204 CZ ARG A 75 8.093 -21.730 -46.274 1.00 52.41 C ATOM 1205 NH1 ARG A 75 7.982 -22.136 -45.016 1.00 43.22 N ATOM 1206 NH2 ARG A 75 8.433 -22.599 -47.218 1.00 22.23 N ATOM 0 H ARG A 75 8.429 -17.249 -49.185 1.00 32.22 H new ATOM 0 HA ARG A 75 8.684 -15.712 -46.773 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.099 -18.570 -47.636 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.773 -18.043 -46.107 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.516 -17.309 -45.367 1.00 33.21 H new ATOM 0 HG3 ARG A 75 6.843 -17.844 -46.894 1.00 33.21 H new ATOM 0 HD2 ARG A 75 8.104 -19.546 -44.720 1.00 64.25 H new ATOM 0 HD3 ARG A 75 6.453 -19.602 -45.304 1.00 64.25 H new ATOM 0 HE ARG A 75 7.960 -20.180 -47.564 1.00 60.01 H new ATOM 0 HH11 ARG A 75 7.721 -21.472 -44.287 1.00 43.22 H new ATOM 0 HH12 ARG A 75 8.158 -23.112 -44.778 1.00 43.22 H new ATOM 0 HH21 ARG A 75 8.520 -22.292 -48.187 1.00 22.23 H new ATOM 0 HH22 ARG A 75 8.608 -23.574 -46.975 1.00 22.23 H new ATOM 1220 N SER A 76 11.309 -16.300 -48.586 1.00 13.42 N ATOM 1221 CA SER A 76 12.732 -16.020 -48.740 1.00 72.25 C ATOM 1222 C SER A 76 12.953 -14.617 -49.298 1.00 24.11 C ATOM 1223 O SER A 76 14.003 -14.012 -49.090 1.00 72.30 O ATOM 1224 CB SER A 76 13.381 -17.056 -49.660 1.00 52.34 C ATOM 1225 OG SER A 76 14.752 -16.762 -49.871 1.00 11.12 O ATOM 0 H SER A 76 10.856 -16.658 -49.427 1.00 13.42 H new ATOM 0 HA SER A 76 13.197 -16.077 -47.756 1.00 72.25 H new ATOM 0 HB2 SER A 76 13.282 -18.049 -49.222 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.859 -17.076 -50.616 1.00 52.34 H new ATOM 0 HG SER A 76 15.145 -17.439 -50.461 1.00 11.12 H new ATOM 1231 N ASN A 77 11.952 -14.107 -50.010 1.00 61.11 N ATOM 1232 CA ASN A 77 12.035 -12.775 -50.600 1.00 63.22 C ATOM 1233 C ASN A 77 11.393 -11.736 -49.687 1.00 4.51 C ATOM 1234 O ASN A 77 10.762 -10.788 -50.156 1.00 30.21 O ATOM 1235 CB ASN A 77 11.355 -12.759 -51.970 1.00 34.15 C ATOM 1236 CG ASN A 77 12.229 -13.354 -53.057 1.00 2.31 C ATOM 1237 OD1 ASN A 77 12.464 -12.729 -54.091 1.00 62.33 O ATOM 1238 ND2 ASN A 77 12.714 -14.568 -52.827 1.00 63.33 N ATOM 0 H ASN A 77 11.075 -14.595 -50.192 1.00 61.11 H new ATOM 0 HA ASN A 77 13.088 -12.523 -50.723 1.00 63.22 H new ATOM 0 HB2 ASN A 77 10.420 -13.316 -51.915 1.00 34.15 H new ATOM 0 HB3 ASN A 77 11.100 -11.733 -52.234 1.00 34.15 H new ATOM 0 HD21 ASN A 77 13.308 -15.020 -53.522 1.00 63.33 H new ATOM 0 HD22 ASN A 77 12.493 -15.049 -51.955 1.00 63.33 H new ATOM 1245 N VAL A 78 11.558 -11.918 -48.381 1.00 54.35 N ATOM 1246 CA VAL A 78 10.997 -10.995 -47.403 1.00 25.14 C ATOM 1247 C VAL A 78 12.063 -10.044 -46.868 1.00 53.34 C ATOM 1248 O VAL A 78 13.143 -10.472 -46.462 1.00 13.31 O ATOM 1249 CB VAL A 78 10.359 -11.750 -46.221 1.00 24.53 C ATOM 1250 CG1 VAL A 78 11.406 -12.577 -45.488 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.678 -10.775 -45.272 1.00 61.01 C ATOM 0 H VAL A 78 12.076 -12.697 -47.976 1.00 54.35 H new ATOM 0 HA VAL A 78 10.227 -10.420 -47.917 1.00 25.14 H new ATOM 0 HB VAL A 78 9.602 -12.430 -46.612 1.00 24.53 H new ATOM 0 HG11 VAL A 78 10.937 -13.103 -44.656 1.00 61.22 H new ATOM 0 HG12 VAL A 78 11.844 -13.301 -46.175 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.188 -11.920 -45.107 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.233 -11.325 -44.443 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.414 -10.069 -44.886 1.00 61.01 H new ATOM 0 HG23 VAL A 78 8.899 -10.231 -45.806 1.00 61.01 H new ATOM 1261 N ASP A 79 11.751 -8.753 -46.872 1.00 75.02 N ATOM 1262 CA ASP A 79 12.681 -7.741 -46.387 1.00 32.13 C ATOM 1263 C ASP A 79 12.017 -6.848 -45.344 1.00 22.35 C ATOM 1264 O ASP A 79 10.855 -7.047 -44.993 1.00 11.20 O ATOM 1265 CB ASP A 79 13.197 -6.891 -47.550 1.00 14.11 C ATOM 1266 CG ASP A 79 12.327 -7.013 -48.786 1.00 70.21 C ATOM 1267 OD1 ASP A 79 12.432 -8.041 -49.487 1.00 12.03 O ATOM 1268 OD2 ASP A 79 11.539 -6.081 -49.051 1.00 63.45 O ATOM 0 H ASP A 79 10.861 -8.383 -47.206 1.00 75.02 H new ATOM 0 HA ASP A 79 13.523 -8.252 -45.919 1.00 32.13 H new ATOM 0 HB2 ASP A 79 13.241 -5.846 -47.242 1.00 14.11 H new ATOM 0 HB3 ASP A 79 14.215 -7.194 -47.794 1.00 14.11 H new ATOM 1273 N ALA A 80 12.764 -5.865 -44.852 1.00 44.44 N ATOM 1274 CA ALA A 80 12.247 -4.941 -43.850 1.00 1.03 C ATOM 1275 C ALA A 80 10.917 -4.340 -44.291 1.00 60.14 C ATOM 1276 O ALA A 80 9.932 -4.379 -43.553 1.00 3.35 O ATOM 1277 CB ALA A 80 13.260 -3.839 -43.575 1.00 43.13 C ATOM 0 H ALA A 80 13.729 -5.688 -45.131 1.00 44.44 H new ATOM 0 HA ALA A 80 12.076 -5.501 -42.930 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.860 -3.156 -42.825 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.187 -4.280 -43.208 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.459 -3.290 -44.495 1.00 43.13 H new ATOM 1283 N ALA A 81 10.895 -3.784 -45.499 1.00 21.32 N ATOM 1284 CA ALA A 81 9.685 -3.176 -46.038 1.00 55.31 C ATOM 1285 C ALA A 81 8.503 -4.134 -45.948 1.00 31.04 C ATOM 1286 O ALA A 81 7.485 -3.824 -45.327 1.00 33.41 O ATOM 1287 CB ALA A 81 9.908 -2.745 -47.480 1.00 13.35 C ATOM 0 H ALA A 81 11.702 -3.742 -46.122 1.00 21.32 H new ATOM 0 HA ALA A 81 9.453 -2.296 -45.439 1.00 55.31 H new ATOM 0 HB1 ALA A 81 8.996 -2.293 -47.870 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.720 -2.019 -47.521 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.168 -3.615 -48.084 1.00 13.35 H new ATOM 1293 N SER A 82 8.642 -5.300 -46.571 1.00 54.12 N ATOM 1294 CA SER A 82 7.582 -6.302 -46.564 1.00 14.13 C ATOM 1295 C SER A 82 7.148 -6.624 -45.137 1.00 30.51 C ATOM 1296 O SER A 82 5.962 -6.579 -44.813 1.00 1.33 O ATOM 1297 CB SER A 82 8.053 -7.577 -47.267 1.00 73.02 C ATOM 1298 OG SER A 82 7.576 -8.732 -46.600 1.00 11.21 O ATOM 0 H SER A 82 9.478 -5.574 -47.087 1.00 54.12 H new ATOM 0 HA SER A 82 6.726 -5.894 -47.102 1.00 14.13 H new ATOM 0 HB2 SER A 82 7.702 -7.578 -48.299 1.00 73.02 H new ATOM 0 HB3 SER A 82 9.142 -7.596 -47.301 1.00 73.02 H new ATOM 0 HG SER A 82 7.452 -9.456 -47.248 1.00 11.21 H new ATOM 1304 N ALA A 83 8.118 -6.951 -44.290 1.00 34.11 N ATOM 1305 CA ALA A 83 7.838 -7.279 -42.897 1.00 62.10 C ATOM 1306 C ALA A 83 6.982 -6.201 -42.241 1.00 53.55 C ATOM 1307 O ALA A 83 5.960 -6.498 -41.623 1.00 1.10 O ATOM 1308 CB ALA A 83 9.138 -7.465 -42.128 1.00 14.31 C ATOM 0 H ALA A 83 9.105 -6.996 -44.544 1.00 34.11 H new ATOM 0 HA ALA A 83 7.278 -8.214 -42.874 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.915 -7.709 -41.090 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.713 -8.275 -42.576 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.719 -6.543 -42.167 1.00 14.31 H new ATOM 1314 N ARG A 84 7.406 -4.949 -42.378 1.00 14.24 N ATOM 1315 CA ARG A 84 6.678 -3.827 -41.797 1.00 42.23 C ATOM 1316 C ARG A 84 5.268 -3.738 -42.371 1.00 55.53 C ATOM 1317 O ARG A 84 4.324 -3.376 -41.670 1.00 43.13 O ATOM 1318 CB ARG A 84 7.428 -2.518 -42.052 1.00 72.41 C ATOM 1319 CG ARG A 84 8.533 -2.243 -41.045 1.00 43.35 C ATOM 1320 CD ARG A 84 8.989 -0.793 -41.100 1.00 30.14 C ATOM 1321 NE ARG A 84 10.007 -0.578 -42.124 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.426 0.624 -42.503 1.00 23.24 C ATOM 1323 NH1 ARG A 84 9.915 1.714 -41.944 1.00 30.24 N ATOM 1324 NH2 ARG A 84 11.356 0.739 -43.441 1.00 14.35 N ATOM 0 H ARG A 84 8.250 -4.686 -42.886 1.00 14.24 H new ATOM 0 HA ARG A 84 6.604 -3.992 -40.722 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.859 -2.545 -43.053 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.717 -1.692 -42.033 1.00 72.41 H new ATOM 0 HG2 ARG A 84 8.178 -2.476 -40.041 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.380 -2.900 -41.244 1.00 43.35 H new ATOM 0 HD2 ARG A 84 8.132 -0.151 -41.301 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.385 -0.501 -40.128 1.00 30.14 H new ATOM 0 HE ARG A 84 10.419 -1.396 -42.573 1.00 24.42 H new ATOM 0 HH11 ARG A 84 9.199 1.629 -41.222 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.238 2.636 -42.236 1.00 30.24 H new ATOM 0 HH21 ARG A 84 11.751 -0.096 -43.873 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.677 1.663 -43.731 1.00 14.35 H new ATOM 1338 N GLU A 85 5.133 -4.071 -43.652 1.00 51.11 N ATOM 1339 CA GLU A 85 3.838 -4.026 -44.319 1.00 55.12 C ATOM 1340 C GLU A 85 2.922 -5.133 -43.805 1.00 1.33 C ATOM 1341 O GLU A 85 1.741 -4.905 -43.541 1.00 32.23 O ATOM 1342 CB GLU A 85 4.015 -4.158 -45.834 1.00 75.34 C ATOM 1343 CG GLU A 85 4.758 -2.991 -46.464 1.00 45.21 C ATOM 1344 CD GLU A 85 3.822 -1.919 -46.986 1.00 21.03 C ATOM 1345 OE1 GLU A 85 2.793 -1.657 -46.327 1.00 42.31 O ATOM 1346 OE2 GLU A 85 4.118 -1.341 -48.052 1.00 3.32 O ATOM 0 H GLU A 85 5.904 -4.374 -44.247 1.00 51.11 H new ATOM 0 HA GLU A 85 3.377 -3.064 -44.096 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.555 -5.080 -46.049 1.00 75.34 H new ATOM 0 HB3 GLU A 85 3.033 -4.247 -46.300 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.431 -2.553 -45.727 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.377 -3.358 -47.283 1.00 45.21 H new ATOM 1353 N LEU A 86 3.475 -6.333 -43.666 1.00 22.40 N ATOM 1354 CA LEU A 86 2.709 -7.476 -43.184 1.00 21.33 C ATOM 1355 C LEU A 86 2.187 -7.226 -41.772 1.00 20.32 C ATOM 1356 O LEU A 86 1.020 -7.484 -41.478 1.00 2.34 O ATOM 1357 CB LEU A 86 3.574 -8.739 -43.202 1.00 74.11 C ATOM 1358 CG LEU A 86 3.555 -9.545 -44.502 1.00 10.31 C ATOM 1359 CD1 LEU A 86 2.140 -9.994 -44.831 1.00 65.15 C ATOM 1360 CD2 LEU A 86 4.138 -8.727 -45.645 1.00 0.22 C ATOM 0 H LEU A 86 4.451 -6.539 -43.880 1.00 22.40 H new ATOM 0 HA LEU A 86 1.856 -7.616 -43.848 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.604 -8.453 -42.990 1.00 74.11 H new ATOM 0 HB3 LEU A 86 3.250 -9.389 -42.390 1.00 74.11 H new ATOM 0 HG LEU A 86 4.173 -10.433 -44.366 1.00 10.31 H new ATOM 0 HD11 LEU A 86 2.146 -10.566 -45.759 1.00 65.15 H new ATOM 0 HD12 LEU A 86 1.759 -10.618 -44.023 1.00 65.15 H new ATOM 0 HD13 LEU A 86 1.499 -9.120 -44.948 1.00 65.15 H new ATOM 0 HD21 LEU A 86 4.117 -9.316 -46.562 1.00 0.22 H new ATOM 0 HD22 LEU A 86 3.548 -7.821 -45.782 1.00 0.22 H new ATOM 0 HD23 LEU A 86 5.168 -8.457 -45.411 1.00 0.22 H new ATOM 1372 N MET A 87 3.057 -6.720 -40.906 1.00 55.22 N ATOM 1373 CA MET A 87 2.681 -6.430 -39.526 1.00 3.41 C ATOM 1374 C MET A 87 1.775 -5.205 -39.455 1.00 3.31 C ATOM 1375 O MET A 87 0.894 -5.121 -38.597 1.00 33.02 O ATOM 1376 CB MET A 87 3.930 -6.206 -38.671 1.00 13.51 C ATOM 1377 CG MET A 87 4.899 -7.377 -38.693 1.00 72.40 C ATOM 1378 SD MET A 87 4.161 -8.900 -38.072 1.00 23.01 S ATOM 1379 CE MET A 87 4.001 -9.841 -39.588 1.00 34.44 C ATOM 0 H MET A 87 4.027 -6.502 -41.134 1.00 55.22 H new ATOM 0 HA MET A 87 2.133 -7.288 -39.137 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.445 -5.312 -39.022 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.626 -6.015 -37.642 1.00 13.51 H new ATOM 0 HG2 MET A 87 5.247 -7.536 -39.713 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.774 -7.131 -38.092 1.00 72.40 H new ATOM 0 HE1 MET A 87 4.291 -10.876 -39.406 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.966 -9.808 -39.929 1.00 34.44 H new ATOM 0 HE3 MET A 87 4.649 -9.412 -40.353 1.00 34.44 H new ATOM 1389 N LEU A 88 1.996 -4.258 -40.360 1.00 0.04 N ATOM 1390 CA LEU A 88 1.200 -3.037 -40.399 1.00 32.32 C ATOM 1391 C LEU A 88 -0.268 -3.352 -40.673 1.00 31.41 C ATOM 1392 O LEU A 88 -1.144 -3.016 -39.876 1.00 51.04 O ATOM 1393 CB LEU A 88 1.737 -2.088 -41.472 1.00 71.42 C ATOM 1394 CG LEU A 88 0.922 -0.817 -41.714 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.829 0.325 -42.146 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -0.159 -1.066 -42.756 1.00 33.15 C ATOM 0 H LEU A 88 2.720 -4.312 -41.077 1.00 0.04 H new ATOM 0 HA LEU A 88 1.274 -2.554 -39.425 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.751 -1.798 -41.197 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.805 -2.636 -42.412 1.00 71.42 H new ATOM 0 HG LEU A 88 0.438 -0.535 -40.779 1.00 15.31 H new ATOM 0 HD11 LEU A 88 1.231 1.221 -42.314 1.00 0.02 H new ATOM 0 HD12 LEU A 88 2.565 0.520 -41.366 1.00 0.02 H new ATOM 0 HD13 LEU A 88 2.342 0.053 -43.069 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.729 -0.150 -42.915 1.00 33.15 H new ATOM 0 HD22 LEU A 88 0.304 -1.373 -43.694 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -0.827 -1.853 -42.406 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.528 -4.003 -41.801 1.00 5.24 N ATOM 1409 CA ALA A 89 -1.888 -4.368 -42.178 1.00 72.31 C ATOM 1410 C ALA A 89 -2.387 -5.549 -41.352 1.00 53.31 C ATOM 1411 O ALA A 89 -3.509 -5.533 -40.846 1.00 61.11 O ATOM 1412 CB ALA A 89 -1.956 -4.692 -43.663 1.00 53.34 C ATOM 0 H ALA A 89 0.186 -4.289 -42.471 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.537 -3.516 -41.975 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -2.978 -4.963 -43.930 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.649 -3.820 -44.240 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.290 -5.526 -43.884 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.548 -6.571 -41.222 1.00 12.11 N ATOM 1419 CA GLN A 90 -1.906 -7.761 -40.460 1.00 12.45 C ATOM 1420 C GLN A 90 -1.040 -7.888 -39.211 1.00 41.24 C ATOM 1421 O GLN A 90 -0.116 -8.699 -39.147 1.00 10.03 O ATOM 1422 CB GLN A 90 -1.759 -9.012 -41.327 1.00 3.41 C ATOM 1423 CG GLN A 90 -2.508 -8.930 -42.647 1.00 23.53 C ATOM 1424 CD GLN A 90 -2.069 -9.993 -43.635 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -1.743 -9.692 -44.784 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -2.059 -11.245 -43.193 1.00 33.14 N ATOM 0 H GLN A 90 -0.616 -6.599 -41.634 1.00 12.11 H new ATOM 0 HA GLN A 90 -2.947 -7.664 -40.150 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -0.701 -9.181 -41.529 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -2.119 -9.876 -40.768 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -3.577 -9.032 -42.461 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -2.354 -7.945 -43.087 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -2.337 -11.449 -42.233 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -1.773 -12.003 -43.813 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.344 -7.069 -38.194 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.604 -7.071 -36.928 1.00 32.24 C ATOM 1437 C PRO A 91 -0.854 -8.335 -36.112 1.00 54.10 C ATOM 1438 O PRO A 91 -0.197 -8.572 -35.099 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.153 -5.844 -36.194 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.514 -5.641 -36.764 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.432 -6.077 -38.201 1.00 34.13 C ATOM 0 HA PRO A 91 0.474 -7.043 -37.086 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.195 -6.012 -35.118 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.522 -4.970 -36.356 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.256 -6.226 -36.221 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.816 -4.596 -36.690 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.371 -6.512 -38.543 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.209 -5.240 -38.863 1.00 34.13 H new ATOM 1449 N SER A 92 -1.807 -9.145 -36.563 1.00 20.51 N ATOM 1450 CA SER A 92 -2.146 -10.384 -35.872 1.00 11.34 C ATOM 1451 C SER A 92 -0.965 -11.348 -35.876 1.00 43.02 C ATOM 1452 O SER A 92 -0.929 -12.307 -35.105 1.00 60.53 O ATOM 1453 CB SER A 92 -3.359 -11.044 -36.531 1.00 1.20 C ATOM 1454 OG SER A 92 -3.831 -12.132 -35.756 1.00 33.02 O ATOM 0 H SER A 92 -2.357 -8.966 -37.403 1.00 20.51 H new ATOM 0 HA SER A 92 -2.390 -10.140 -34.838 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.155 -10.309 -36.654 1.00 1.20 H new ATOM 0 HB3 SER A 92 -3.090 -11.393 -37.528 1.00 1.20 H new ATOM 0 HG SER A 92 -4.607 -12.536 -36.198 1.00 33.02 H new ATOM 1460 N MET A 93 0.003 -11.086 -36.749 1.00 64.00 N ATOM 1461 CA MET A 93 1.188 -11.929 -36.852 1.00 11.03 C ATOM 1462 C MET A 93 2.196 -11.588 -35.760 1.00 22.03 C ATOM 1463 O MET A 93 3.079 -12.385 -35.444 1.00 62.52 O ATOM 1464 CB MET A 93 1.836 -11.769 -38.229 1.00 21.24 C ATOM 1465 CG MET A 93 1.192 -12.624 -39.307 1.00 71.33 C ATOM 1466 SD MET A 93 -0.223 -11.817 -40.082 1.00 63.23 S ATOM 1467 CE MET A 93 -1.343 -13.203 -40.269 1.00 50.03 C ATOM 0 H MET A 93 -0.010 -10.297 -37.395 1.00 64.00 H new ATOM 0 HA MET A 93 0.877 -12.966 -36.723 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.782 -10.722 -38.527 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.893 -12.026 -38.156 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.934 -12.859 -40.070 1.00 71.33 H new ATOM 0 HG3 MET A 93 0.872 -13.570 -38.871 1.00 71.33 H new ATOM 0 HE1 MET A 93 -2.222 -12.887 -40.831 1.00 50.03 H new ATOM 0 HE2 MET A 93 -0.840 -14.008 -40.805 1.00 50.03 H new ATOM 0 HE3 MET A 93 -1.649 -13.559 -39.285 1.00 50.03 H new ATOM 1477 N VAL A 94 2.058 -10.397 -35.186 1.00 52.44 N ATOM 1478 CA VAL A 94 2.957 -9.950 -34.128 1.00 10.35 C ATOM 1479 C VAL A 94 2.895 -10.883 -32.924 1.00 43.41 C ATOM 1480 O VAL A 94 1.856 -11.480 -32.639 1.00 40.44 O ATOM 1481 CB VAL A 94 2.618 -8.519 -33.671 1.00 33.42 C ATOM 1482 CG1 VAL A 94 3.629 -8.032 -32.644 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.565 -7.578 -34.865 1.00 35.21 C ATOM 0 H VAL A 94 1.333 -9.725 -35.436 1.00 52.44 H new ATOM 0 HA VAL A 94 3.965 -9.962 -34.543 1.00 10.35 H new ATOM 0 HB VAL A 94 1.635 -8.530 -33.201 1.00 33.42 H new ATOM 0 HG11 VAL A 94 3.373 -7.019 -32.333 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.614 -8.692 -31.777 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.626 -8.035 -33.085 1.00 75.05 H new ATOM 0 HG21 VAL A 94 2.324 -6.571 -34.524 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.533 -7.570 -35.365 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.799 -7.918 -35.562 1.00 35.21 H new ATOM 1493 N LYS A 95 4.014 -11.006 -32.219 1.00 21.24 N ATOM 1494 CA LYS A 95 4.089 -11.865 -31.044 1.00 1.24 C ATOM 1495 C LYS A 95 3.235 -11.310 -29.908 1.00 13.35 C ATOM 1496 O LYS A 95 3.433 -10.177 -29.468 1.00 52.22 O ATOM 1497 CB LYS A 95 5.541 -12.007 -30.581 1.00 62.41 C ATOM 1498 CG LYS A 95 6.309 -13.096 -31.312 1.00 12.43 C ATOM 1499 CD LYS A 95 5.950 -14.477 -30.791 1.00 23.31 C ATOM 1500 CE LYS A 95 7.067 -15.477 -31.049 1.00 33.13 C ATOM 1501 NZ LYS A 95 6.580 -16.882 -30.974 1.00 64.41 N ATOM 0 H LYS A 95 4.883 -10.521 -32.442 1.00 21.24 H new ATOM 0 HA LYS A 95 3.704 -12.847 -31.319 1.00 1.24 H new ATOM 0 HB2 LYS A 95 6.053 -11.055 -30.722 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.554 -12.220 -29.512 1.00 62.41 H new ATOM 0 HG2 LYS A 95 6.093 -13.041 -32.379 1.00 12.43 H new ATOM 0 HG3 LYS A 95 7.380 -12.929 -31.195 1.00 12.43 H new ATOM 0 HD2 LYS A 95 5.749 -14.423 -29.721 1.00 23.31 H new ATOM 0 HD3 LYS A 95 5.034 -14.821 -31.271 1.00 23.31 H new ATOM 0 HE2 LYS A 95 7.498 -15.294 -32.033 1.00 33.13 H new ATOM 0 HE3 LYS A 95 7.863 -15.329 -30.319 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 7.370 -17.533 -31.155 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 6.191 -17.065 -30.027 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 5.838 -17.031 -31.687 1.00 64.41 H new ATOM 1515 N ARG A 96 2.288 -12.115 -29.437 1.00 23.43 N ATOM 1516 CA ARG A 96 1.405 -11.703 -28.353 1.00 52.42 C ATOM 1517 C ARG A 96 1.482 -12.684 -27.187 1.00 73.24 C ATOM 1518 O ARG A 96 1.862 -13.845 -27.344 1.00 25.00 O ATOM 1519 CB ARG A 96 -0.037 -11.600 -28.852 1.00 2.41 C ATOM 1520 CG ARG A 96 -0.147 -11.237 -30.324 1.00 32.35 C ATOM 1521 CD ARG A 96 0.392 -9.841 -30.596 1.00 1.31 C ATOM 1522 NE ARG A 96 -0.605 -8.808 -30.329 1.00 4.33 N ATOM 1523 CZ ARG A 96 -0.436 -7.526 -30.636 1.00 22.53 C ATOM 1524 NH1 ARG A 96 0.686 -7.123 -31.217 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -1.389 -6.646 -30.361 1.00 31.42 N ATOM 0 H ARG A 96 2.113 -13.056 -29.789 1.00 23.43 H new ATOM 0 HA ARG A 96 1.732 -10.724 -28.004 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.540 -12.552 -28.683 1.00 2.41 H new ATOM 0 HB3 ARG A 96 -0.564 -10.851 -28.261 1.00 2.41 H new ATOM 0 HG2 ARG A 96 0.404 -11.964 -30.921 1.00 32.35 H new ATOM 0 HG3 ARG A 96 -1.190 -11.293 -30.637 1.00 32.35 H new ATOM 0 HD2 ARG A 96 1.271 -9.665 -29.977 1.00 1.31 H new ATOM 0 HD3 ARG A 96 0.715 -9.773 -31.635 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.479 -9.086 -29.882 1.00 4.33 H new ATOM 0 HH11 ARG A 96 1.421 -7.797 -31.429 1.00 21.10 H new ATOM 0 HH12 ARG A 96 0.814 -6.139 -31.452 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -2.253 -6.953 -29.913 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -1.258 -5.662 -30.597 1.00 31.42 H new ATOM 1539 N PRO A 97 1.114 -12.209 -25.988 1.00 5.45 N ATOM 1540 CA PRO A 97 0.661 -10.830 -25.788 1.00 55.21 C ATOM 1541 C PRO A 97 1.791 -9.818 -25.951 1.00 1.12 C ATOM 1542 O PRO A 97 2.945 -10.191 -26.161 1.00 11.34 O ATOM 1543 CB PRO A 97 0.147 -10.830 -24.347 1.00 63.23 C ATOM 1544 CG PRO A 97 0.892 -11.933 -23.679 1.00 53.40 C ATOM 1545 CD PRO A 97 1.112 -12.982 -24.734 1.00 14.11 C ATOM 0 HA PRO A 97 -0.090 -10.538 -26.522 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.335 -9.873 -23.860 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.929 -11.000 -24.311 1.00 63.23 H new ATOM 0 HG2 PRO A 97 1.841 -11.577 -23.279 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.324 -12.336 -22.840 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.054 -13.510 -24.586 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.321 -13.732 -24.726 1.00 14.11 H new ATOM 1553 N VAL A 98 1.451 -8.537 -25.853 1.00 75.11 N ATOM 1554 CA VAL A 98 2.438 -7.473 -25.988 1.00 22.51 C ATOM 1555 C VAL A 98 2.349 -6.491 -24.824 1.00 20.24 C ATOM 1556 O VAL A 98 1.260 -6.068 -24.437 1.00 74.34 O ATOM 1557 CB VAL A 98 2.257 -6.703 -27.309 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.229 -5.536 -27.385 1.00 65.22 C ATOM 1559 CG2 VAL A 98 2.438 -7.636 -28.497 1.00 73.13 C ATOM 0 H VAL A 98 0.500 -8.211 -25.681 1.00 75.11 H new ATOM 0 HA VAL A 98 3.419 -7.949 -25.985 1.00 22.51 H new ATOM 0 HB VAL A 98 1.244 -6.303 -27.340 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.086 -5.004 -28.326 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.047 -4.856 -26.552 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.251 -5.910 -27.332 1.00 65.22 H new ATOM 0 HG21 VAL A 98 2.307 -7.076 -29.423 1.00 73.13 H new ATOM 0 HG22 VAL A 98 3.439 -8.067 -28.472 1.00 73.13 H new ATOM 0 HG23 VAL A 98 1.698 -8.435 -28.448 1.00 73.13 H new ATOM 1569 N LEU A 99 3.503 -6.130 -24.272 1.00 44.10 N ATOM 1570 CA LEU A 99 3.556 -5.196 -23.153 1.00 22.24 C ATOM 1571 C LEU A 99 4.167 -3.866 -23.582 1.00 30.44 C ATOM 1572 O LEU A 99 5.301 -3.818 -24.057 1.00 63.23 O ATOM 1573 CB LEU A 99 4.366 -5.795 -22.001 1.00 31.22 C ATOM 1574 CG LEU A 99 3.613 -6.754 -21.078 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.096 -7.951 -21.861 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.508 -7.208 -19.936 1.00 2.44 C ATOM 0 H LEU A 99 4.414 -6.470 -24.581 1.00 44.10 H new ATOM 0 HA LEU A 99 2.536 -5.014 -22.815 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.221 -6.324 -22.421 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.761 -4.978 -21.398 1.00 31.22 H new ATOM 0 HG LEU A 99 2.759 -6.226 -20.655 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.563 -8.623 -21.188 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.419 -7.609 -22.644 1.00 64.20 H new ATOM 0 HD13 LEU A 99 3.935 -8.480 -22.313 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.955 -7.890 -19.290 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.382 -7.719 -20.340 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.829 -6.341 -19.359 1.00 2.44 H new ATOM 1588 N GLU A 100 3.408 -2.788 -23.408 1.00 64.22 N ATOM 1589 CA GLU A 100 3.878 -1.458 -23.777 1.00 43.31 C ATOM 1590 C GLU A 100 4.121 -0.604 -22.537 1.00 30.33 C ATOM 1591 O GLU A 100 3.223 -0.411 -21.716 1.00 5.33 O ATOM 1592 CB GLU A 100 2.861 -0.770 -24.691 1.00 12.53 C ATOM 1593 CG GLU A 100 3.463 0.326 -25.555 1.00 51.33 C ATOM 1594 CD GLU A 100 2.457 1.401 -25.919 1.00 23.35 C ATOM 1595 OE1 GLU A 100 2.184 2.270 -25.066 1.00 3.32 O ATOM 1596 OE2 GLU A 100 1.943 1.371 -27.057 1.00 13.23 O ATOM 0 H GLU A 100 2.467 -2.810 -23.015 1.00 64.22 H new ATOM 0 HA GLU A 100 4.821 -1.569 -24.312 1.00 43.31 H new ATOM 0 HB2 GLU A 100 2.401 -1.518 -25.336 1.00 12.53 H new ATOM 0 HB3 GLU A 100 2.066 -0.344 -24.080 1.00 12.53 H new ATOM 0 HG2 GLU A 100 4.300 0.781 -25.026 1.00 51.33 H new ATOM 0 HG3 GLU A 100 3.864 -0.115 -26.468 1.00 51.33 H new ATOM 1603 N ARG A 101 5.343 -0.096 -22.406 1.00 4.25 N ATOM 1604 CA ARG A 101 5.705 0.736 -21.264 1.00 32.41 C ATOM 1605 C ARG A 101 7.088 1.352 -21.460 1.00 74.21 C ATOM 1606 O ARG A 101 7.998 0.708 -21.981 1.00 12.55 O ATOM 1607 CB ARG A 101 5.681 -0.089 -19.976 1.00 44.21 C ATOM 1608 CG ARG A 101 6.678 -1.237 -19.968 1.00 1.21 C ATOM 1609 CD ARG A 101 6.659 -1.981 -18.643 1.00 54.35 C ATOM 1610 NE ARG A 101 7.418 -1.281 -17.610 1.00 52.24 N ATOM 1611 CZ ARG A 101 7.341 -1.572 -16.316 1.00 25.22 C ATOM 1612 NH1 ARG A 101 6.543 -2.545 -15.899 1.00 24.34 N ATOM 1613 NH2 ARG A 101 8.063 -0.890 -15.437 1.00 11.44 N ATOM 0 H ARG A 101 6.098 -0.246 -23.076 1.00 4.25 H new ATOM 0 HA ARG A 101 4.974 1.540 -21.185 1.00 32.41 H new ATOM 0 HB2 ARG A 101 5.889 0.567 -19.131 1.00 44.21 H new ATOM 0 HB3 ARG A 101 4.678 -0.489 -19.830 1.00 44.21 H new ATOM 0 HG2 ARG A 101 6.445 -1.928 -20.778 1.00 1.21 H new ATOM 0 HG3 ARG A 101 7.680 -0.852 -20.156 1.00 1.21 H new ATOM 0 HD2 ARG A 101 5.628 -2.106 -18.313 1.00 54.35 H new ATOM 0 HD3 ARG A 101 7.073 -2.980 -18.782 1.00 54.35 H new ATOM 0 HE ARG A 101 8.042 -0.527 -17.898 1.00 52.24 H new ATOM 0 HH11 ARG A 101 5.987 -3.072 -16.572 1.00 24.34 H new ATOM 0 HH12 ARG A 101 6.485 -2.767 -14.905 1.00 24.34 H new ATOM 0 HH21 ARG A 101 8.678 -0.141 -15.754 1.00 11.44 H new ATOM 0 HH22 ARG A 101 8.003 -1.115 -14.444 1.00 11.44 H new ATOM 1627 N ASP A 102 7.237 2.603 -21.037 1.00 73.03 N ATOM 1628 CA ASP A 102 8.508 3.307 -21.165 1.00 63.23 C ATOM 1629 C ASP A 102 9.004 3.276 -22.608 1.00 24.24 C ATOM 1630 O ASP A 102 10.204 3.184 -22.860 1.00 10.42 O ATOM 1631 CB ASP A 102 9.555 2.685 -20.239 1.00 41.13 C ATOM 1632 CG ASP A 102 9.309 3.018 -18.781 1.00 72.41 C ATOM 1633 OD1 ASP A 102 8.713 4.081 -18.508 1.00 51.21 O ATOM 1634 OD2 ASP A 102 9.712 2.217 -17.912 1.00 22.03 O ATOM 0 H ASP A 102 6.494 3.150 -20.603 1.00 73.03 H new ATOM 0 HA ASP A 102 8.350 4.346 -20.877 1.00 63.23 H new ATOM 0 HB2 ASP A 102 9.552 1.603 -20.367 1.00 41.13 H new ATOM 0 HB3 ASP A 102 10.546 3.037 -20.527 1.00 41.13 H new ATOM 1639 N GLY A 103 8.070 3.352 -23.551 1.00 2.43 N ATOM 1640 CA GLY A 103 8.432 3.330 -24.956 1.00 31.54 C ATOM 1641 C GLY A 103 9.138 2.048 -25.352 1.00 30.50 C ATOM 1642 O GLY A 103 9.783 1.984 -26.399 1.00 10.41 O ATOM 0 H GLY A 103 7.070 3.428 -23.367 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.533 3.448 -25.562 1.00 31.54 H new ATOM 0 HA3 GLY A 103 9.078 4.180 -25.175 1.00 31.54 H new ATOM 1646 N LYS A 104 9.016 1.025 -24.515 1.00 25.14 N ATOM 1647 CA LYS A 104 9.647 -0.262 -24.782 1.00 25.34 C ATOM 1648 C LYS A 104 8.603 -1.370 -24.883 1.00 14.23 C ATOM 1649 O LYS A 104 7.795 -1.560 -23.974 1.00 31.24 O ATOM 1650 CB LYS A 104 10.657 -0.598 -23.682 1.00 11.12 C ATOM 1651 CG LYS A 104 11.997 0.095 -23.856 1.00 33.24 C ATOM 1652 CD LYS A 104 12.945 -0.229 -22.713 1.00 41.15 C ATOM 1653 CE LYS A 104 14.067 0.792 -22.612 1.00 4.32 C ATOM 1654 NZ LYS A 104 15.161 0.513 -23.581 1.00 32.45 N ATOM 0 H LYS A 104 8.485 1.062 -23.645 1.00 25.14 H new ATOM 0 HA LYS A 104 10.169 -0.190 -25.736 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.236 -0.319 -22.716 1.00 11.12 H new ATOM 0 HB3 LYS A 104 10.815 -1.676 -23.662 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.446 -0.212 -24.801 1.00 33.24 H new ATOM 0 HG3 LYS A 104 11.846 1.173 -23.910 1.00 33.24 H new ATOM 0 HD2 LYS A 104 12.390 -0.255 -21.775 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.368 -1.223 -22.861 1.00 41.15 H new ATOM 0 HE2 LYS A 104 13.667 1.790 -22.793 1.00 4.32 H new ATOM 0 HE3 LYS A 104 14.470 0.789 -21.599 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 15.906 1.232 -23.480 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 15.560 -0.429 -23.392 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 14.783 0.541 -24.549 1.00 32.45 H new ATOM 1668 N LEU A 105 8.627 -2.100 -25.993 1.00 31.53 N ATOM 1669 CA LEU A 105 7.684 -3.191 -26.211 1.00 20.33 C ATOM 1670 C LEU A 105 8.302 -4.531 -25.828 1.00 75.31 C ATOM 1671 O LEU A 105 9.452 -4.814 -26.164 1.00 23.42 O ATOM 1672 CB LEU A 105 7.239 -3.221 -27.674 1.00 32.41 C ATOM 1673 CG LEU A 105 5.817 -3.718 -27.934 1.00 52.15 C ATOM 1674 CD1 LEU A 105 4.799 -2.747 -27.355 1.00 35.41 C ATOM 1675 CD2 LEU A 105 5.583 -3.913 -29.425 1.00 22.22 C ATOM 0 H LEU A 105 9.289 -1.956 -26.756 1.00 31.53 H new ATOM 0 HA LEU A 105 6.815 -3.019 -25.576 1.00 20.33 H new ATOM 0 HB2 LEU A 105 7.330 -2.214 -28.081 1.00 32.41 H new ATOM 0 HB3 LEU A 105 7.931 -3.854 -28.230 1.00 32.41 H new ATOM 0 HG LEU A 105 5.693 -4.681 -27.439 1.00 52.15 H new ATOM 0 HD11 LEU A 105 3.792 -3.117 -27.549 1.00 35.41 H new ATOM 0 HD12 LEU A 105 4.952 -2.658 -26.279 1.00 35.41 H new ATOM 0 HD13 LEU A 105 4.923 -1.769 -27.821 1.00 35.41 H new ATOM 0 HD21 LEU A 105 4.565 -4.267 -29.590 1.00 22.22 H new ATOM 0 HD22 LEU A 105 5.726 -2.965 -29.943 1.00 22.22 H new ATOM 0 HD23 LEU A 105 6.290 -4.647 -29.811 1.00 22.22 H new ATOM 1687 N MET A 106 7.531 -5.353 -25.124 1.00 74.33 N ATOM 1688 CA MET A 106 8.002 -6.666 -24.698 1.00 20.31 C ATOM 1689 C MET A 106 7.029 -7.759 -25.130 1.00 43.33 C ATOM 1690 O MET A 106 5.817 -7.549 -25.160 1.00 3.02 O ATOM 1691 CB MET A 106 8.183 -6.698 -23.179 1.00 44.33 C ATOM 1692 CG MET A 106 9.082 -7.826 -22.698 1.00 71.01 C ATOM 1693 SD MET A 106 10.834 -7.446 -22.889 1.00 50.21 S ATOM 1694 CE MET A 106 11.354 -7.374 -21.176 1.00 61.54 C ATOM 0 H MET A 106 6.577 -5.133 -24.836 1.00 74.33 H new ATOM 0 HA MET A 106 8.964 -6.852 -25.175 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.601 -5.746 -22.851 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.206 -6.797 -22.707 1.00 44.33 H new ATOM 0 HG2 MET A 106 8.871 -8.031 -21.649 1.00 71.01 H new ATOM 0 HG3 MET A 106 8.848 -8.734 -23.254 1.00 71.01 H new ATOM 0 HE1 MET A 106 12.419 -7.147 -21.128 1.00 61.54 H new ATOM 0 HE2 MET A 106 10.793 -6.596 -20.658 1.00 61.54 H new ATOM 0 HE3 MET A 106 11.166 -8.336 -20.698 1.00 61.54 H new ATOM 1704 N VAL A 107 7.570 -8.928 -25.462 1.00 75.01 N ATOM 1705 CA VAL A 107 6.750 -10.054 -25.892 1.00 61.12 C ATOM 1706 C VAL A 107 6.370 -10.939 -24.710 1.00 44.11 C ATOM 1707 O VAL A 107 7.181 -11.184 -23.818 1.00 61.33 O ATOM 1708 CB VAL A 107 7.477 -10.909 -26.947 1.00 11.11 C ATOM 1709 CG1 VAL A 107 7.851 -10.063 -28.154 1.00 22.41 C ATOM 1710 CG2 VAL A 107 8.710 -11.565 -26.341 1.00 1.13 C ATOM 0 H VAL A 107 8.572 -9.119 -25.441 1.00 75.01 H new ATOM 0 HA VAL A 107 5.846 -9.636 -26.335 1.00 61.12 H new ATOM 0 HB VAL A 107 6.802 -11.696 -27.282 1.00 11.11 H new ATOM 0 HG11 VAL A 107 8.364 -10.684 -28.889 1.00 22.41 H new ATOM 0 HG12 VAL A 107 6.948 -9.645 -28.599 1.00 22.41 H new ATOM 0 HG13 VAL A 107 8.510 -9.253 -27.841 1.00 22.41 H new ATOM 0 HG21 VAL A 107 9.212 -12.166 -27.099 1.00 1.13 H new ATOM 0 HG22 VAL A 107 9.391 -10.795 -25.978 1.00 1.13 H new ATOM 0 HG23 VAL A 107 8.411 -12.205 -25.511 1.00 1.13 H new ATOM 1720 N GLY A 108 5.129 -11.418 -24.710 1.00 3.25 N ATOM 1721 CA GLY A 108 4.663 -12.272 -23.633 1.00 34.24 C ATOM 1722 C GLY A 108 5.443 -13.568 -23.542 1.00 63.12 C ATOM 1723 O GLY A 108 5.648 -14.251 -24.547 1.00 74.34 O ATOM 0 H GLY A 108 4.438 -11.230 -25.437 1.00 3.25 H new ATOM 0 HA2 GLY A 108 4.744 -11.736 -22.687 1.00 34.24 H new ATOM 0 HA3 GLY A 108 3.607 -12.497 -23.783 1.00 34.24 H new ATOM 1727 N PHE A 109 5.882 -13.910 -22.335 1.00 65.53 N ATOM 1728 CA PHE A 109 6.647 -15.133 -22.117 1.00 34.22 C ATOM 1729 C PHE A 109 5.767 -16.225 -21.515 1.00 13.12 C ATOM 1730 O PHE A 109 4.751 -15.940 -20.880 1.00 33.42 O ATOM 1731 CB PHE A 109 7.838 -14.857 -21.198 1.00 43.33 C ATOM 1732 CG PHE A 109 8.732 -13.755 -21.690 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.363 -13.853 -22.920 1.00 74.21 C ATOM 1734 CD2 PHE A 109 8.943 -12.621 -20.922 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.186 -12.841 -23.375 1.00 22.11 C ATOM 1736 CE2 PHE A 109 9.764 -11.605 -21.372 1.00 30.44 C ATOM 1737 CZ PHE A 109 10.388 -11.715 -22.599 1.00 13.51 C ATOM 0 H PHE A 109 5.721 -13.358 -21.493 1.00 65.53 H new ATOM 0 HA PHE A 109 7.015 -15.479 -23.083 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.469 -14.599 -20.206 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.424 -15.770 -21.092 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.210 -14.731 -23.530 1.00 74.21 H new ATOM 0 HD2 PHE A 109 8.460 -12.530 -19.960 1.00 64.54 H new ATOM 0 HE1 PHE A 109 10.671 -12.929 -24.336 1.00 22.11 H new ATOM 0 HE2 PHE A 109 9.918 -10.725 -20.765 1.00 30.44 H new ATOM 0 HZ PHE A 109 11.032 -10.923 -22.951 1.00 13.51 H new ATOM 1747 N LYS A 110 6.165 -17.475 -21.717 1.00 53.10 N ATOM 1748 CA LYS A 110 5.415 -18.612 -21.195 1.00 31.01 C ATOM 1749 C LYS A 110 5.147 -18.447 -19.702 1.00 43.41 C ATOM 1750 O LYS A 110 5.828 -17.696 -19.004 1.00 73.41 O ATOM 1751 CB LYS A 110 6.180 -19.913 -21.445 1.00 1.21 C ATOM 1752 CG LYS A 110 5.988 -20.473 -22.845 1.00 30.45 C ATOM 1753 CD LYS A 110 4.586 -21.027 -23.036 1.00 25.15 C ATOM 1754 CE LYS A 110 4.465 -22.440 -22.486 1.00 71.12 C ATOM 1755 NZ LYS A 110 3.108 -23.009 -22.712 1.00 33.33 N ATOM 0 H LYS A 110 7.004 -17.728 -22.239 1.00 53.10 H new ATOM 0 HA LYS A 110 4.459 -18.654 -21.716 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.242 -19.738 -21.275 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.859 -20.659 -20.717 1.00 1.21 H new ATOM 0 HG2 LYS A 110 6.174 -19.690 -23.580 1.00 30.45 H new ATOM 0 HG3 LYS A 110 6.719 -21.261 -23.026 1.00 30.45 H new ATOM 0 HD2 LYS A 110 3.866 -20.378 -22.537 1.00 25.15 H new ATOM 0 HD3 LYS A 110 4.334 -21.026 -24.097 1.00 25.15 H new ATOM 0 HE2 LYS A 110 5.210 -23.079 -22.960 1.00 71.12 H new ATOM 0 HE3 LYS A 110 4.683 -22.434 -21.418 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 3.066 -23.973 -22.323 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 2.399 -22.414 -22.239 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 2.910 -23.039 -23.732 1.00 33.33 H new ATOM 1769 N PRO A 111 4.131 -19.165 -19.200 1.00 3.22 N ATOM 1770 CA PRO A 111 3.752 -19.116 -17.785 1.00 31.43 C ATOM 1771 C PRO A 111 4.792 -19.771 -16.882 1.00 53.03 C ATOM 1772 O PRO A 111 5.202 -19.198 -15.875 1.00 72.25 O ATOM 1773 CB PRO A 111 2.437 -19.899 -17.744 1.00 2.05 C ATOM 1774 CG PRO A 111 2.506 -20.818 -18.915 1.00 62.33 C ATOM 1775 CD PRO A 111 3.277 -20.081 -19.974 1.00 71.40 C ATOM 0 HA PRO A 111 3.666 -18.092 -17.421 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.335 -20.454 -16.811 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.577 -19.233 -17.814 1.00 2.05 H new ATOM 0 HG2 PRO A 111 3.002 -21.752 -18.650 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.508 -21.076 -19.268 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.869 -20.761 -20.586 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.615 -19.539 -20.649 1.00 71.40 H new ATOM 1783 N ALA A 112 5.213 -20.977 -17.252 1.00 62.44 N ATOM 1784 CA ALA A 112 6.207 -21.709 -16.477 1.00 52.52 C ATOM 1785 C ALA A 112 7.521 -20.939 -16.402 1.00 34.24 C ATOM 1786 O ALA A 112 8.204 -20.960 -15.379 1.00 74.33 O ATOM 1787 CB ALA A 112 6.435 -23.087 -17.079 1.00 45.03 C ATOM 0 H ALA A 112 4.881 -21.467 -18.083 1.00 62.44 H new ATOM 0 HA ALA A 112 5.826 -21.826 -15.462 1.00 52.52 H new ATOM 0 HB1 ALA A 112 7.180 -23.623 -16.490 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.499 -23.645 -17.075 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.790 -22.982 -18.104 1.00 45.03 H new ATOM 1793 N GLN A 113 7.867 -20.260 -17.492 1.00 34.25 N ATOM 1794 CA GLN A 113 9.101 -19.485 -17.548 1.00 42.12 C ATOM 1795 C GLN A 113 8.986 -18.219 -16.706 1.00 63.54 C ATOM 1796 O GLN A 113 9.874 -17.907 -15.912 1.00 30.03 O ATOM 1797 CB GLN A 113 9.433 -19.121 -18.995 1.00 62.35 C ATOM 1798 CG GLN A 113 9.598 -20.329 -19.904 1.00 53.13 C ATOM 1799 CD GLN A 113 10.718 -21.247 -19.456 1.00 30.34 C ATOM 1800 OE1 GLN A 113 10.592 -21.959 -18.459 1.00 1.43 O ATOM 1801 NE2 GLN A 113 11.824 -21.236 -20.193 1.00 31.33 N ATOM 0 H GLN A 113 7.311 -20.231 -18.347 1.00 34.25 H new ATOM 0 HA GLN A 113 9.905 -20.098 -17.141 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.642 -18.484 -19.391 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.352 -18.536 -19.012 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.663 -20.889 -19.931 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.796 -19.990 -20.921 1.00 53.13 H new ATOM 0 HE21 GLN A 113 11.886 -20.630 -21.011 1.00 31.33 H new ATOM 0 HE22 GLN A 113 12.611 -21.833 -19.940 1.00 31.33 H new ATOM 1810 N TYR A 114 7.888 -17.492 -16.886 1.00 74.31 N ATOM 1811 CA TYR A 114 7.659 -16.257 -16.145 1.00 32.54 C ATOM 1812 C TYR A 114 7.691 -16.510 -14.641 1.00 30.52 C ATOM 1813 O TYR A 114 8.281 -15.741 -13.884 1.00 21.43 O ATOM 1814 CB TYR A 114 6.316 -15.642 -16.543 1.00 52.21 C ATOM 1815 CG TYR A 114 6.299 -14.131 -16.476 1.00 71.23 C ATOM 1816 CD1 TYR A 114 7.238 -13.374 -17.166 1.00 2.14 C ATOM 1817 CD2 TYR A 114 5.344 -13.460 -15.722 1.00 72.04 C ATOM 1818 CE1 TYR A 114 7.227 -11.995 -17.107 1.00 70.32 C ATOM 1819 CE2 TYR A 114 5.323 -12.080 -15.660 1.00 0.14 C ATOM 1820 CZ TYR A 114 6.267 -11.353 -16.353 1.00 74.52 C ATOM 1821 OH TYR A 114 6.252 -9.978 -16.293 1.00 24.42 O ATOM 0 H TYR A 114 7.143 -17.737 -17.538 1.00 74.31 H new ATOM 0 HA TYR A 114 8.459 -15.559 -16.394 1.00 32.54 H new ATOM 0 HB2 TYR A 114 6.069 -15.955 -17.557 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.538 -16.035 -15.889 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.990 -13.874 -17.759 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.605 -14.027 -15.175 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.966 -11.422 -17.648 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.572 -11.574 -15.072 1.00 0.14 H new ATOM 0 HH TYR A 114 5.513 -9.684 -15.721 1.00 24.42 H new ATOM 1831 N GLU A 115 7.050 -17.596 -14.217 1.00 14.02 N ATOM 1832 CA GLU A 115 7.005 -17.951 -12.803 1.00 22.21 C ATOM 1833 C GLU A 115 8.373 -18.421 -12.316 1.00 15.44 C ATOM 1834 O GLU A 115 8.879 -17.945 -11.300 1.00 4.40 O ATOM 1835 CB GLU A 115 5.963 -19.045 -12.563 1.00 5.22 C ATOM 1836 CG GLU A 115 4.581 -18.695 -13.091 1.00 30.50 C ATOM 1837 CD GLU A 115 3.586 -18.416 -11.981 1.00 42.21 C ATOM 1838 OE1 GLU A 115 4.000 -17.883 -10.932 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.391 -18.732 -12.165 1.00 14.10 O ATOM 0 H GLU A 115 6.556 -18.243 -14.831 1.00 14.02 H new ATOM 0 HA GLU A 115 6.724 -17.061 -12.240 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.301 -19.967 -13.036 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.895 -19.242 -11.493 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.654 -17.820 -13.737 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.213 -19.516 -13.706 1.00 30.50 H new ATOM 1846 N ALA A 116 8.965 -19.358 -13.048 1.00 50.22 N ATOM 1847 CA ALA A 116 10.274 -19.891 -12.693 1.00 4.31 C ATOM 1848 C ALA A 116 11.326 -18.788 -12.655 1.00 51.44 C ATOM 1849 O ALA A 116 12.301 -18.871 -11.908 1.00 72.23 O ATOM 1850 CB ALA A 116 10.684 -20.981 -13.672 1.00 54.13 C ATOM 0 H ALA A 116 8.559 -19.764 -13.891 1.00 50.22 H new ATOM 0 HA ALA A 116 10.203 -20.323 -11.695 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.664 -21.370 -13.394 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.952 -21.788 -13.645 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.730 -20.567 -14.679 1.00 54.13 H new ATOM 1856 N TYR A 117 11.121 -17.756 -13.466 1.00 54.32 N ATOM 1857 CA TYR A 117 12.053 -16.636 -13.528 1.00 43.12 C ATOM 1858 C TYR A 117 11.783 -15.639 -12.406 1.00 23.32 C ATOM 1859 O TYR A 117 12.710 -15.080 -11.819 1.00 72.22 O ATOM 1860 CB TYR A 117 11.952 -15.936 -14.883 1.00 24.03 C ATOM 1861 CG TYR A 117 12.879 -14.749 -15.023 1.00 64.05 C ATOM 1862 CD1 TYR A 117 14.255 -14.922 -15.091 1.00 53.14 C ATOM 1863 CD2 TYR A 117 12.377 -13.455 -15.086 1.00 22.44 C ATOM 1864 CE1 TYR A 117 15.106 -13.841 -15.217 1.00 11.13 C ATOM 1865 CE2 TYR A 117 13.220 -12.368 -15.214 1.00 40.30 C ATOM 1866 CZ TYR A 117 14.583 -12.565 -15.278 1.00 14.53 C ATOM 1867 OH TYR A 117 15.427 -11.486 -15.406 1.00 31.20 O ATOM 0 H TYR A 117 10.318 -17.672 -14.089 1.00 54.32 H new ATOM 0 HA TYR A 117 13.062 -17.029 -13.404 1.00 43.12 H new ATOM 0 HB2 TYR A 117 12.175 -16.655 -15.671 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.925 -15.604 -15.035 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.667 -15.919 -15.045 1.00 53.14 H new ATOM 0 HD2 TYR A 117 11.310 -13.296 -15.034 1.00 22.44 H new ATOM 0 HE1 TYR A 117 16.174 -13.993 -15.267 1.00 11.13 H new ATOM 0 HE2 TYR A 117 12.813 -11.369 -15.264 1.00 40.30 H new ATOM 0 HH TYR A 117 14.900 -10.660 -15.435 1.00 31.20 H new ATOM 1877 N PHE A 118 10.505 -15.421 -12.112 1.00 14.14 N ATOM 1878 CA PHE A 118 10.110 -14.491 -11.061 1.00 2.10 C ATOM 1879 C PHE A 118 9.848 -15.230 -9.752 1.00 23.32 C ATOM 1880 O PHE A 118 9.026 -14.806 -8.939 1.00 14.34 O ATOM 1881 CB PHE A 118 8.860 -13.715 -11.480 1.00 24.24 C ATOM 1882 CG PHE A 118 8.623 -12.475 -10.666 1.00 65.14 C ATOM 1883 CD1 PHE A 118 9.555 -11.449 -10.656 1.00 41.02 C ATOM 1884 CD2 PHE A 118 7.469 -12.334 -9.913 1.00 55.11 C ATOM 1885 CE1 PHE A 118 9.340 -10.307 -9.908 1.00 73.25 C ATOM 1886 CE2 PHE A 118 7.249 -11.194 -9.163 1.00 41.31 C ATOM 1887 CZ PHE A 118 8.185 -10.179 -9.161 1.00 31.03 C ATOM 0 H PHE A 118 9.726 -15.876 -12.587 1.00 14.14 H new ATOM 0 HA PHE A 118 10.929 -13.789 -10.905 1.00 2.10 H new ATOM 0 HB2 PHE A 118 8.949 -13.439 -12.531 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.991 -14.368 -11.394 1.00 24.24 H new ATOM 0 HD1 PHE A 118 10.459 -11.543 -11.239 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.733 -13.124 -9.912 1.00 55.11 H new ATOM 0 HE1 PHE A 118 10.074 -9.515 -9.907 1.00 73.25 H new ATOM 0 HE2 PHE A 118 6.346 -11.097 -8.579 1.00 41.31 H new ATOM 0 HZ PHE A 118 8.015 -9.287 -8.577 1.00 31.03 H new