USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=22 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= -0.201 X(o=-1.1,f=-0.93) USER MOD Set 1.2: A 93 MET CE :methyl 175:sc= -0.856 (180deg=-1.07) USER MOD Set 2.1: A 61 ASN : amide:sc= -1.69 X(o=-1.6,f=-1.4) USER MOD Set 2.2: A 66 THR OG1 : rot 171:sc= 0.127 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.103) USER MOD Single : A 14 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.7) USER MOD Single : A 15 CYS SG : rot -26:sc= -0.796 USER MOD Single : A 17 THR OG1 : rot 170:sc= -0.783 USER MOD Single : A 18 MET CE :methyl -140:sc= -0.396 (180deg=-2.49!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.3) USER MOD Single : A 32 TYR OH : rot 150:sc= -0.0105 USER MOD Single : A 33 THR OG1 : rot 74:sc= 0.374 USER MOD Single : A 35 HIS : no HE2:sc= -2.6 X(o=-2.6,f=-3) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 49:sc= 0.946 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 75:sc= 0.5 USER MOD Single : A 58 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.18) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 141:sc= -1.77 (180deg=-6.78!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -106:sc= -0.036 (180deg=-0.928) 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= -0.265 X(o=-0.26,f=-0.26) 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 1.033 -0.426 -16.727 1.00 10.34 N ATOM 69 CA VAL A 7 1.511 -1.110 -17.923 1.00 2.44 C ATOM 70 C VAL A 7 0.385 -1.302 -18.932 1.00 5.32 C ATOM 71 O VAL A 7 -0.780 -1.456 -18.561 1.00 24.25 O ATOM 72 CB VAL A 7 2.118 -2.484 -17.580 1.00 52.12 C ATOM 73 CG1 VAL A 7 2.740 -3.117 -18.815 1.00 54.24 C ATOM 74 CG2 VAL A 7 3.143 -2.349 -16.465 1.00 43.52 C ATOM 0 HA VAL A 7 2.284 -0.479 -18.361 1.00 2.44 H new ATOM 0 HB VAL A 7 1.319 -3.138 -17.231 1.00 52.12 H new ATOM 0 HG11 VAL A 7 3.163 -4.087 -18.553 1.00 54.24 H new ATOM 0 HG12 VAL A 7 1.975 -3.250 -19.580 1.00 54.24 H new ATOM 0 HG13 VAL A 7 3.528 -2.469 -19.198 1.00 54.24 H new ATOM 0 HG21 VAL A 7 3.562 -3.329 -16.235 1.00 43.52 H new ATOM 0 HG22 VAL A 7 3.941 -1.679 -16.784 1.00 43.52 H new ATOM 0 HG23 VAL A 7 2.662 -1.943 -15.576 1.00 43.52 H new ATOM 84 N THR A 8 0.738 -1.293 -20.215 1.00 15.13 N ATOM 85 CA THR A 8 -0.242 -1.464 -21.279 1.00 55.12 C ATOM 86 C THR A 8 0.072 -2.695 -22.122 1.00 32.31 C ATOM 87 O THR A 8 1.203 -2.874 -22.577 1.00 11.22 O ATOM 88 CB THR A 8 -0.300 -0.228 -22.196 1.00 32.32 C ATOM 89 OG1 THR A 8 -0.392 0.963 -21.406 1.00 2.03 O ATOM 90 CG2 THR A 8 -1.490 -0.309 -23.140 1.00 55.11 C ATOM 0 H THR A 8 1.697 -1.169 -20.541 1.00 15.13 H new ATOM 0 HA THR A 8 -1.211 -1.594 -20.797 1.00 55.12 H new ATOM 0 HB THR A 8 0.613 -0.201 -22.790 1.00 32.32 H new ATOM 0 HG1 THR A 8 -0.427 1.745 -21.996 1.00 2.03 H new ATOM 0 HG21 THR A 8 -1.510 0.575 -23.777 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.403 -1.201 -23.760 1.00 55.11 H new ATOM 0 HG23 THR A 8 -2.412 -0.359 -22.560 1.00 55.11 H new ATOM 98 N ILE A 9 -0.934 -3.539 -22.329 1.00 40.31 N ATOM 99 CA ILE A 9 -0.763 -4.750 -23.121 1.00 3.44 C ATOM 100 C ILE A 9 -1.603 -4.700 -24.391 1.00 62.44 C ATOM 101 O ILE A 9 -2.759 -4.277 -24.368 1.00 5.32 O ATOM 102 CB ILE A 9 -1.145 -6.007 -22.316 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.997 -7.259 -23.182 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.566 -5.886 -21.788 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.280 -8.545 -22.438 1.00 32.30 C ATOM 0 H ILE A 9 -1.875 -3.406 -21.959 1.00 40.31 H new ATOM 0 HA ILE A 9 0.292 -4.805 -23.389 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.469 -6.095 -21.466 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.674 -7.184 -24.033 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.016 -7.296 -23.583 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.821 -6.782 -21.222 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.640 -5.013 -21.139 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.257 -5.776 -22.624 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.156 -9.391 -23.114 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.586 -8.643 -21.603 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.302 -8.529 -22.060 1.00 32.30 H new ATOM 117 N TYR A 10 -1.015 -5.135 -25.500 1.00 4.54 N ATOM 118 CA TYR A 10 -1.710 -5.139 -26.783 1.00 30.24 C ATOM 119 C TYR A 10 -1.917 -6.564 -27.286 1.00 22.21 C ATOM 120 O TYR A 10 -1.114 -7.455 -27.011 1.00 41.11 O ATOM 121 CB TYR A 10 -0.922 -4.331 -27.815 1.00 22.32 C ATOM 122 CG TYR A 10 -0.745 -2.877 -27.440 1.00 34.41 C ATOM 123 CD1 TYR A 10 0.191 -2.493 -26.488 1.00 54.11 C ATOM 124 CD2 TYR A 10 -1.515 -1.887 -28.038 1.00 15.21 C ATOM 125 CE1 TYR A 10 0.356 -1.166 -26.143 1.00 20.31 C ATOM 126 CE2 TYR A 10 -1.358 -0.557 -27.698 1.00 22.30 C ATOM 127 CZ TYR A 10 -0.420 -0.202 -26.750 1.00 60.44 C ATOM 128 OH TYR A 10 -0.261 1.122 -26.409 1.00 41.33 O ATOM 0 H TYR A 10 -0.059 -5.489 -25.537 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.688 -4.679 -26.640 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.060 -4.785 -27.947 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -1.432 -4.390 -28.776 1.00 22.32 H new ATOM 0 HD1 TYR A 10 0.800 -3.245 -26.009 1.00 54.11 H new ATOM 0 HD2 TYR A 10 -2.249 -2.162 -28.781 1.00 15.21 H new ATOM 0 HE1 TYR A 10 1.089 -0.885 -25.401 1.00 20.31 H new ATOM 0 HE2 TYR A 10 -1.966 0.200 -28.171 1.00 22.30 H new ATOM 0 HH TYR A 10 -0.884 1.671 -26.930 1.00 41.33 H new ATOM 138 N GLY A 11 -3.002 -6.772 -28.026 1.00 41.24 N ATOM 139 CA GLY A 11 -3.296 -8.090 -28.557 1.00 3.41 C ATOM 140 C GLY A 11 -4.532 -8.098 -29.436 1.00 42.14 C ATOM 141 O GLY A 11 -4.936 -7.059 -29.959 1.00 61.14 O ATOM 0 H GLY A 11 -3.682 -6.051 -28.267 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.442 -8.445 -29.133 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.436 -8.788 -27.732 1.00 3.41 H new ATOM 145 N ILE A 12 -5.130 -9.273 -29.600 1.00 0.23 N ATOM 146 CA ILE A 12 -6.326 -9.411 -30.423 1.00 21.20 C ATOM 147 C ILE A 12 -7.275 -10.455 -29.842 1.00 0.25 C ATOM 148 O ILE A 12 -6.951 -11.128 -28.864 1.00 72.24 O ATOM 149 CB ILE A 12 -5.972 -9.803 -31.869 1.00 70.51 C ATOM 150 CG1 ILE A 12 -5.165 -11.104 -31.885 1.00 34.24 C ATOM 151 CG2 ILE A 12 -5.196 -8.683 -32.547 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.950 -11.664 -33.274 1.00 42.40 C ATOM 0 H ILE A 12 -4.807 -10.142 -29.175 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.819 -8.439 -30.430 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.897 -9.964 -32.423 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.196 -10.927 -31.419 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.679 -11.849 -31.277 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.953 -8.975 -33.569 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -5.803 -7.778 -32.563 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -4.275 -8.493 -31.995 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.371 -12.585 -33.209 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.915 -11.873 -33.735 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -4.409 -10.937 -33.880 1.00 42.40 H new ATOM 164 N LYS A 13 -8.446 -10.585 -30.454 1.00 73.52 N ATOM 165 CA LYS A 13 -9.443 -11.550 -30.002 1.00 71.53 C ATOM 166 C LYS A 13 -9.464 -12.776 -30.908 1.00 42.41 C ATOM 167 O LYS A 13 -10.483 -13.457 -31.022 1.00 70.40 O ATOM 168 CB LYS A 13 -10.829 -10.903 -29.967 1.00 10.01 C ATOM 169 CG LYS A 13 -11.263 -10.323 -31.302 1.00 12.21 C ATOM 170 CD LYS A 13 -12.740 -9.966 -31.302 1.00 11.45 C ATOM 171 CE LYS A 13 -13.010 -8.712 -30.484 1.00 71.10 C ATOM 172 NZ LYS A 13 -14.305 -8.076 -30.856 1.00 71.14 N ATOM 0 H LYS A 13 -8.729 -10.035 -31.265 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.173 -11.870 -28.996 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -11.560 -11.646 -29.648 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.832 -10.111 -29.218 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -10.673 -9.433 -31.522 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -11.062 -11.043 -32.095 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -13.079 -9.813 -32.327 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -13.316 -10.797 -30.896 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -13.021 -8.965 -29.424 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -12.199 -7.999 -30.633 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -14.569 -7.377 -30.133 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -14.207 -7.602 -31.777 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -15.044 -8.805 -30.918 1.00 71.14 H new ATOM 186 N ASN A 14 -8.333 -13.052 -31.550 1.00 14.55 N ATOM 187 CA ASN A 14 -8.223 -14.197 -32.446 1.00 43.33 C ATOM 188 C ASN A 14 -7.091 -15.122 -32.010 1.00 4.54 C ATOM 189 O ASN A 14 -6.533 -15.862 -32.820 1.00 13.15 O ATOM 190 CB ASN A 14 -7.987 -13.727 -33.882 1.00 12.44 C ATOM 191 CG ASN A 14 -8.354 -14.785 -34.905 1.00 1.15 C ATOM 192 OD1 ASN A 14 -9.390 -15.439 -34.793 1.00 11.24 O ATOM 193 ND2 ASN A 14 -7.501 -14.957 -35.909 1.00 4.23 N ATOM 0 H ASN A 14 -7.480 -12.498 -31.466 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.160 -14.752 -32.402 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -8.573 -12.827 -34.068 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -6.939 -13.455 -34.005 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -7.693 -15.655 -36.628 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -6.654 -14.391 -35.961 1.00 4.23 H new ATOM 200 N CYS A 15 -6.757 -15.074 -30.725 1.00 13.42 N ATOM 201 CA CYS A 15 -5.691 -15.907 -30.181 1.00 5.12 C ATOM 202 C CYS A 15 -6.084 -16.474 -28.820 1.00 45.42 C ATOM 203 O CYS A 15 -7.164 -16.185 -28.305 1.00 62.11 O ATOM 204 CB CYS A 15 -4.398 -15.100 -30.055 1.00 22.14 C ATOM 205 SG CYS A 15 -4.612 -13.476 -29.288 1.00 2.24 S ATOM 0 H CYS A 15 -7.209 -14.467 -30.041 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.527 -16.738 -30.868 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -3.680 -15.674 -29.470 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -3.967 -14.967 -31.047 1.00 22.14 H new ATOM 0 HG CYS A 15 -5.828 -13.060 -29.485 1.00 2.24 H new ATOM 211 N ASP A 16 -5.202 -17.282 -28.243 1.00 14.03 N ATOM 212 CA ASP A 16 -5.457 -17.890 -26.943 1.00 11.23 C ATOM 213 C ASP A 16 -4.422 -17.436 -25.919 1.00 34.34 C ATOM 214 O ASP A 16 -4.712 -17.343 -24.726 1.00 45.12 O ATOM 215 CB ASP A 16 -5.445 -19.415 -27.058 1.00 50.21 C ATOM 216 CG ASP A 16 -4.252 -19.927 -27.841 1.00 54.43 C ATOM 217 OD1 ASP A 16 -4.350 -20.014 -29.083 1.00 34.14 O ATOM 218 OD2 ASP A 16 -3.219 -20.240 -27.212 1.00 34.04 O ATOM 0 H ASP A 16 -4.303 -17.531 -28.656 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.442 -17.567 -26.605 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.435 -19.852 -26.059 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.363 -19.747 -27.542 1.00 50.21 H new ATOM 223 N THR A 17 -3.212 -17.155 -26.392 1.00 62.21 N ATOM 224 CA THR A 17 -2.133 -16.713 -25.517 1.00 10.24 C ATOM 225 C THR A 17 -2.568 -15.529 -24.662 1.00 43.54 C ATOM 226 O THR A 17 -2.151 -15.395 -23.513 1.00 32.13 O ATOM 227 CB THR A 17 -0.882 -16.316 -26.325 1.00 64.53 C ATOM 228 OG1 THR A 17 0.183 -15.962 -25.435 1.00 51.14 O ATOM 229 CG2 THR A 17 -1.184 -15.148 -27.252 1.00 13.05 C ATOM 0 H THR A 17 -2.954 -17.226 -27.376 1.00 62.21 H new ATOM 0 HA THR A 17 -1.887 -17.554 -24.869 1.00 10.24 H new ATOM 0 HB THR A 17 -0.581 -17.171 -26.930 1.00 64.53 H new ATOM 0 HG1 THR A 17 1.016 -15.868 -25.943 1.00 51.14 H new ATOM 0 HG21 THR A 17 -0.286 -14.886 -27.812 1.00 13.05 H new ATOM 0 HG22 THR A 17 -1.975 -15.430 -27.947 1.00 13.05 H new ATOM 0 HG23 THR A 17 -1.508 -14.290 -26.663 1.00 13.05 H new ATOM 237 N MET A 18 -3.411 -14.673 -25.231 1.00 61.22 N ATOM 238 CA MET A 18 -3.905 -13.500 -24.518 1.00 4.42 C ATOM 239 C MET A 18 -4.718 -13.910 -23.294 1.00 72.34 C ATOM 240 O MET A 18 -4.616 -13.294 -22.233 1.00 54.40 O ATOM 241 CB MET A 18 -4.759 -12.634 -25.446 1.00 41.43 C ATOM 242 CG MET A 18 -3.943 -11.795 -26.415 1.00 42.31 C ATOM 243 SD MET A 18 -2.991 -10.507 -25.586 1.00 61.21 S ATOM 244 CE MET A 18 -4.295 -9.603 -24.756 1.00 35.43 C ATOM 0 H MET A 18 -3.766 -14.769 -26.182 1.00 61.22 H new ATOM 0 HA MET A 18 -3.045 -12.921 -24.183 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.432 -13.277 -26.013 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.382 -11.974 -24.842 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.264 -12.444 -26.969 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.611 -11.336 -27.144 1.00 42.31 H new ATOM 0 HE1 MET A 18 -4.093 -8.534 -24.818 1.00 35.43 H new ATOM 0 HE2 MET A 18 -5.250 -9.820 -25.235 1.00 35.43 H new ATOM 0 HE3 MET A 18 -4.337 -9.904 -23.709 1.00 35.43 H new ATOM 254 N LYS A 19 -5.527 -14.952 -23.449 1.00 34.45 N ATOM 255 CA LYS A 19 -6.358 -15.446 -22.357 1.00 44.21 C ATOM 256 C LYS A 19 -5.502 -15.847 -21.160 1.00 43.12 C ATOM 257 O LYS A 19 -5.750 -15.415 -20.035 1.00 22.52 O ATOM 258 CB LYS A 19 -7.192 -16.641 -22.824 1.00 42.21 C ATOM 259 CG LYS A 19 -8.478 -16.830 -22.038 1.00 0.44 C ATOM 260 CD LYS A 19 -9.621 -16.026 -22.634 1.00 30.12 C ATOM 261 CE LYS A 19 -10.946 -16.367 -21.971 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.618 -17.520 -22.634 1.00 12.14 N ATOM 0 H LYS A 19 -5.625 -15.472 -24.321 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.026 -14.642 -22.050 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.436 -16.513 -23.879 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.591 -17.547 -22.744 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.744 -17.887 -22.024 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.320 -16.527 -21.003 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -9.418 -14.961 -22.518 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.687 -16.223 -23.704 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -10.777 -16.601 -20.920 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -11.602 -15.497 -22.002 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -12.518 -17.721 -22.153 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -11.803 -17.288 -23.631 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.003 -18.357 -22.582 1.00 12.14 H new ATOM 276 N LYS A 20 -4.492 -16.673 -21.411 1.00 34.44 N ATOM 277 CA LYS A 20 -3.597 -17.130 -20.355 1.00 13.54 C ATOM 278 C LYS A 20 -2.852 -15.956 -19.728 1.00 54.33 C ATOM 279 O LYS A 20 -2.747 -15.857 -18.505 1.00 71.32 O ATOM 280 CB LYS A 20 -2.596 -18.146 -20.910 1.00 51.40 C ATOM 281 CG LYS A 20 -3.246 -19.284 -21.676 1.00 41.13 C ATOM 282 CD LYS A 20 -2.252 -20.392 -21.980 1.00 21.45 C ATOM 283 CE LYS A 20 -2.953 -21.663 -22.435 1.00 33.50 C ATOM 284 NZ LYS A 20 -3.182 -21.672 -23.907 1.00 30.33 N ATOM 0 H LYS A 20 -4.273 -17.040 -22.337 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.200 -17.609 -19.584 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.895 -17.631 -21.567 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.016 -18.559 -20.085 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.075 -19.688 -21.095 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -3.665 -18.904 -22.608 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -1.561 -20.059 -22.755 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -1.657 -20.602 -21.091 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -2.353 -22.529 -22.155 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -3.908 -21.756 -21.918 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -3.662 -22.554 -24.178 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -3.775 -20.860 -24.171 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -2.269 -21.609 -24.401 1.00 30.33 H new ATOM 298 N ALA A 21 -2.336 -15.070 -20.573 1.00 53.12 N ATOM 299 CA ALA A 21 -1.604 -13.901 -20.100 1.00 1.22 C ATOM 300 C ALA A 21 -2.478 -13.030 -19.204 1.00 43.50 C ATOM 301 O ALA A 21 -2.089 -12.683 -18.089 1.00 22.15 O ATOM 302 CB ALA A 21 -1.083 -13.092 -21.280 1.00 20.30 C ATOM 0 H ALA A 21 -2.411 -15.139 -21.588 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.757 -14.249 -19.509 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.538 -12.222 -20.913 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.416 -13.711 -21.879 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -1.921 -12.763 -21.894 1.00 20.30 H new ATOM 308 N ARG A 22 -3.661 -12.680 -19.699 1.00 25.34 N ATOM 309 CA ARG A 22 -4.589 -11.848 -18.944 1.00 62.34 C ATOM 310 C ARG A 22 -4.915 -12.483 -17.595 1.00 32.15 C ATOM 311 O ARG A 22 -4.850 -11.825 -16.557 1.00 70.51 O ATOM 312 CB ARG A 22 -5.877 -11.629 -19.740 1.00 44.13 C ATOM 313 CG ARG A 22 -5.798 -10.469 -20.718 1.00 55.33 C ATOM 314 CD ARG A 22 -6.947 -10.499 -21.713 1.00 32.33 C ATOM 315 NE ARG A 22 -8.242 -10.315 -21.061 1.00 60.44 N ATOM 316 CZ ARG A 22 -9.395 -10.260 -21.718 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.414 -10.377 -23.039 1.00 3.41 N ATOM 318 NH2 ARG A 22 -10.530 -10.090 -21.054 1.00 10.54 N ATOM 0 H ARG A 22 -3.999 -12.960 -20.620 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.111 -10.884 -18.768 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.114 -12.540 -20.289 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.698 -11.452 -19.045 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.815 -9.527 -20.169 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -4.850 -10.508 -21.254 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -6.802 -9.716 -22.458 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -6.941 -11.450 -22.245 1.00 32.33 H new ATOM 0 HE ARG A 22 -8.261 -10.224 -20.045 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -8.542 -10.509 -23.552 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -10.300 -10.335 -23.542 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -10.518 -10.001 -20.038 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -11.415 -10.048 -21.559 1.00 10.54 H new ATOM 332 N ILE A 23 -5.264 -13.764 -17.620 1.00 34.41 N ATOM 333 CA ILE A 23 -5.600 -14.488 -16.399 1.00 74.45 C ATOM 334 C ILE A 23 -4.413 -14.531 -15.443 1.00 44.23 C ATOM 335 O ILE A 23 -4.580 -14.438 -14.226 1.00 42.13 O ATOM 336 CB ILE A 23 -6.050 -15.929 -16.705 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.281 -15.920 -17.613 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.343 -16.677 -15.413 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.432 -17.178 -18.440 1.00 52.43 C ATOM 0 H ILE A 23 -5.322 -14.323 -18.471 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.424 -13.951 -15.929 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.242 -16.444 -17.225 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.173 -15.788 -17.001 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.223 -15.061 -18.281 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.660 -17.694 -15.645 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.443 -16.709 -14.799 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.136 -16.165 -14.868 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.326 -17.101 -19.059 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.557 -17.301 -19.079 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.522 -18.040 -17.779 1.00 52.43 H new ATOM 351 N TRP A 24 -3.216 -14.669 -16.000 1.00 31.51 N ATOM 352 CA TRP A 24 -2.000 -14.722 -15.195 1.00 62.05 C ATOM 353 C TRP A 24 -1.728 -13.377 -14.531 1.00 74.25 C ATOM 354 O TRP A 24 -1.239 -13.317 -13.402 1.00 4.31 O ATOM 355 CB TRP A 24 -0.807 -15.127 -16.062 1.00 3.42 C ATOM 356 CG TRP A 24 0.273 -15.828 -15.296 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.495 -17.174 -15.238 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.277 -15.218 -14.477 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.577 -17.439 -14.433 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.075 -16.255 -13.954 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.581 -13.897 -14.136 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.154 -16.010 -13.110 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.652 -13.656 -13.298 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.429 -14.707 -12.792 1.00 64.41 C ATOM 0 H TRP A 24 -3.060 -14.746 -17.005 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.143 -15.469 -14.414 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.154 -15.778 -16.864 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.390 -14.236 -16.532 1.00 3.42 H new ATOM 0 HD1 TRP A 24 -0.094 -17.921 -15.750 1.00 42.14 H new ATOM 0 HE1 TRP A 24 1.949 -18.366 -14.226 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.989 -13.080 -14.521 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.753 -16.819 -12.720 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.895 -12.639 -13.028 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.260 -14.485 -12.139 1.00 64.41 H new ATOM 375 N LEU A 25 -2.048 -12.297 -15.237 1.00 11.33 N ATOM 376 CA LEU A 25 -1.839 -10.952 -14.715 1.00 44.32 C ATOM 377 C LEU A 25 -2.886 -10.607 -13.661 1.00 51.32 C ATOM 378 O LEU A 25 -2.551 -10.176 -12.558 1.00 43.22 O ATOM 379 CB LEU A 25 -1.887 -9.929 -15.852 1.00 70.24 C ATOM 380 CG LEU A 25 -0.544 -9.571 -16.489 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.360 -8.884 -15.479 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.129 -10.815 -17.051 1.00 3.23 C ATOM 0 H LEU A 25 -2.453 -12.328 -16.173 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.855 -10.920 -14.247 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.546 -10.312 -16.631 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.342 -9.014 -15.472 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.727 -8.879 -17.311 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.311 -8.637 -15.951 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.118 -7.970 -15.125 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.536 -9.551 -14.635 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.083 -10.541 -17.500 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.299 -11.531 -16.247 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.513 -11.265 -17.809 1.00 3.23 H new ATOM 394 N GLU A 26 -4.154 -10.802 -14.009 1.00 61.23 N ATOM 395 CA GLU A 26 -5.250 -10.513 -13.091 1.00 64.31 C ATOM 396 C GLU A 26 -5.161 -11.388 -11.845 1.00 74.22 C ATOM 397 O GLU A 26 -5.556 -10.975 -10.754 1.00 53.23 O ATOM 398 CB GLU A 26 -6.597 -10.730 -13.785 1.00 32.45 C ATOM 399 CG GLU A 26 -6.986 -12.193 -13.914 1.00 31.13 C ATOM 400 CD GLU A 26 -7.818 -12.681 -12.744 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.963 -12.205 -12.593 1.00 13.03 O ATOM 402 OE2 GLU A 26 -7.325 -13.537 -11.981 1.00 61.24 O ATOM 0 H GLU A 26 -4.448 -11.158 -14.919 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.170 -9.469 -12.787 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -7.372 -10.204 -13.228 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -6.560 -10.283 -14.779 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -7.546 -12.336 -14.838 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -6.084 -12.800 -13.991 1.00 31.13 H new ATOM 409 N ASP A 27 -4.641 -12.598 -12.014 1.00 34.31 N ATOM 410 CA ASP A 27 -4.499 -13.532 -10.903 1.00 72.41 C ATOM 411 C ASP A 27 -3.290 -13.174 -10.043 1.00 33.14 C ATOM 412 O ASP A 27 -3.360 -13.200 -8.815 1.00 3.11 O ATOM 413 CB ASP A 27 -4.363 -14.963 -11.426 1.00 42.32 C ATOM 414 CG ASP A 27 -4.340 -15.988 -10.310 1.00 63.52 C ATOM 415 OD1 ASP A 27 -5.428 -16.439 -9.896 1.00 71.12 O ATOM 416 OD2 ASP A 27 -3.233 -16.340 -9.850 1.00 45.10 O ATOM 0 H ASP A 27 -4.310 -12.956 -12.910 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.395 -13.463 -10.286 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -5.193 -15.181 -12.099 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.447 -15.047 -12.011 1.00 42.32 H new ATOM 421 N HIS A 28 -2.182 -12.843 -10.698 1.00 21.13 N ATOM 422 CA HIS A 28 -0.956 -12.481 -9.994 1.00 13.54 C ATOM 423 C HIS A 28 -1.166 -11.228 -9.148 1.00 43.42 C ATOM 424 O HIS A 28 -0.379 -10.934 -8.250 1.00 0.32 O ATOM 425 CB HIS A 28 0.181 -12.253 -10.989 1.00 14.43 C ATOM 426 CG HIS A 28 1.520 -12.086 -10.341 1.00 55.54 C ATOM 427 ND1 HIS A 28 1.951 -10.894 -9.798 1.00 12.03 N ATOM 428 CD2 HIS A 28 2.527 -12.971 -10.147 1.00 71.45 C ATOM 429 CE1 HIS A 28 3.164 -11.052 -9.300 1.00 24.52 C ATOM 430 NE2 HIS A 28 3.536 -12.302 -9.499 1.00 21.13 N ATOM 0 H HIS A 28 -2.107 -12.818 -11.715 1.00 21.13 H new ATOM 0 HA HIS A 28 -0.689 -13.305 -9.333 1.00 13.54 H new ATOM 0 HB2 HIS A 28 0.223 -13.096 -11.679 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.039 -11.366 -11.583 1.00 14.43 H new ATOM 0 HD2 HIS A 28 2.535 -14.009 -10.446 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.751 -10.288 -8.813 1.00 24.52 H new ATOM 0 HE2 HIS A 28 4.429 -12.706 -9.217 1.00 21.13 H new ATOM 438 N GLY A 29 -2.234 -10.493 -9.443 1.00 43.32 N ATOM 439 CA GLY A 29 -2.527 -9.279 -8.702 1.00 61.30 C ATOM 440 C GLY A 29 -2.003 -8.037 -9.393 1.00 13.24 C ATOM 441 O GLY A 29 -1.785 -7.008 -8.752 1.00 52.32 O ATOM 0 H GLY A 29 -2.901 -10.716 -10.181 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -3.605 -9.189 -8.569 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -2.088 -9.350 -7.707 1.00 61.30 H new ATOM 445 N ILE A 30 -1.798 -8.131 -10.703 1.00 54.44 N ATOM 446 CA ILE A 30 -1.296 -7.006 -11.480 1.00 74.22 C ATOM 447 C ILE A 30 -2.393 -6.408 -12.356 1.00 61.31 C ATOM 448 O ILE A 30 -3.271 -7.121 -12.841 1.00 14.22 O ATOM 449 CB ILE A 30 -0.112 -7.422 -12.373 1.00 33.02 C ATOM 450 CG1 ILE A 30 0.916 -8.210 -11.559 1.00 74.32 C ATOM 451 CG2 ILE A 30 0.531 -6.196 -13.005 1.00 52.12 C ATOM 452 CD1 ILE A 30 2.108 -8.668 -12.371 1.00 25.45 C ATOM 0 H ILE A 30 -1.972 -8.976 -11.248 1.00 54.44 H new ATOM 0 HA ILE A 30 -0.956 -6.256 -10.765 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.485 -8.064 -13.171 1.00 33.02 H new ATOM 0 HG12 ILE A 30 1.266 -7.590 -10.733 1.00 74.32 H new ATOM 0 HG13 ILE A 30 0.429 -9.081 -11.120 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.366 -6.506 -13.633 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -0.206 -5.672 -13.614 1.00 52.12 H new ATOM 0 HG23 ILE A 30 0.894 -5.531 -12.221 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.795 -9.220 -11.729 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.770 -9.314 -13.181 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.619 -7.800 -12.788 1.00 25.45 H new ATOM 464 N ASP A 31 -2.334 -5.096 -12.554 1.00 75.12 N ATOM 465 CA ASP A 31 -3.321 -4.403 -13.374 1.00 21.24 C ATOM 466 C ASP A 31 -2.713 -3.965 -14.702 1.00 75.12 C ATOM 467 O ASP A 31 -1.881 -3.058 -14.747 1.00 63.43 O ATOM 468 CB ASP A 31 -3.872 -3.188 -12.626 1.00 24.41 C ATOM 469 CG ASP A 31 -5.243 -2.775 -13.125 1.00 12.42 C ATOM 470 OD1 ASP A 31 -5.556 -3.054 -14.302 1.00 24.32 O ATOM 471 OD2 ASP A 31 -6.003 -2.173 -12.338 1.00 60.30 O ATOM 0 H ASP A 31 -1.614 -4.491 -12.158 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.137 -5.095 -13.580 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -3.929 -3.415 -11.561 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -3.181 -2.352 -12.737 1.00 24.41 H new ATOM 476 N TYR A 32 -3.132 -4.615 -15.782 1.00 1.34 N ATOM 477 CA TYR A 32 -2.626 -4.296 -17.111 1.00 14.55 C ATOM 478 C TYR A 32 -3.741 -3.763 -18.005 1.00 23.04 C ATOM 479 O TYR A 32 -4.882 -4.222 -17.937 1.00 43.04 O ATOM 480 CB TYR A 32 -1.993 -5.534 -17.750 1.00 44.01 C ATOM 481 CG TYR A 32 -0.502 -5.638 -17.522 1.00 2.43 C ATOM 482 CD1 TYR A 32 0.051 -5.357 -16.279 1.00 2.21 C ATOM 483 CD2 TYR A 32 0.353 -6.016 -18.549 1.00 41.42 C ATOM 484 CE1 TYR A 32 1.412 -5.450 -16.065 1.00 1.10 C ATOM 485 CE2 TYR A 32 1.716 -6.114 -18.344 1.00 0.12 C ATOM 486 CZ TYR A 32 2.241 -5.829 -17.100 1.00 70.01 C ATOM 487 OH TYR A 32 3.598 -5.924 -16.893 1.00 34.31 O ATOM 0 H TYR A 32 -3.821 -5.367 -15.763 1.00 1.34 H new ATOM 0 HA TYR A 32 -1.867 -3.521 -17.006 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -2.476 -6.426 -17.351 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.188 -5.519 -18.822 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -0.595 -5.061 -15.466 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -0.054 -6.237 -19.524 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.825 -5.227 -15.092 1.00 1.10 H new ATOM 0 HE2 TYR A 32 2.367 -6.412 -19.153 1.00 0.12 H new ATOM 0 HH TYR A 32 3.972 -6.612 -17.483 1.00 34.31 H new ATOM 497 N THR A 33 -3.403 -2.789 -18.845 1.00 12.42 N ATOM 498 CA THR A 33 -4.374 -2.192 -19.752 1.00 70.00 C ATOM 499 C THR A 33 -4.538 -3.032 -21.014 1.00 44.51 C ATOM 500 O THR A 33 -3.614 -3.149 -21.819 1.00 22.54 O ATOM 501 CB THR A 33 -3.963 -0.761 -20.152 1.00 0.30 C ATOM 502 OG1 THR A 33 -3.438 -0.067 -19.016 1.00 62.20 O ATOM 503 CG2 THR A 33 -5.150 0.005 -20.717 1.00 52.41 C ATOM 0 H THR A 33 -2.464 -2.397 -18.915 1.00 12.42 H new ATOM 0 HA THR A 33 -5.323 -2.155 -19.218 1.00 70.00 H new ATOM 0 HB THR A 33 -3.195 -0.829 -20.922 1.00 0.30 H new ATOM 0 HG1 THR A 33 -2.544 -0.411 -18.807 1.00 62.20 H new ATOM 0 HG21 THR A 33 -4.836 1.012 -20.992 1.00 52.41 H new ATOM 0 HG22 THR A 33 -5.529 -0.511 -21.599 1.00 52.41 H new ATOM 0 HG23 THR A 33 -5.937 0.063 -19.965 1.00 52.41 H new ATOM 511 N PHE A 34 -5.720 -3.615 -21.181 1.00 20.02 N ATOM 512 CA PHE A 34 -6.006 -4.446 -22.345 1.00 51.35 C ATOM 513 C PHE A 34 -6.275 -3.585 -23.575 1.00 63.42 C ATOM 514 O PHE A 34 -7.196 -2.768 -23.585 1.00 51.44 O ATOM 515 CB PHE A 34 -7.208 -5.352 -22.069 1.00 74.40 C ATOM 516 CG PHE A 34 -7.634 -6.161 -23.261 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.697 -6.839 -24.025 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.970 -6.243 -23.617 1.00 54.34 C ATOM 519 CE1 PHE A 34 -7.087 -7.585 -25.122 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.365 -6.987 -24.712 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.422 -7.658 -25.466 1.00 71.33 C ATOM 0 H PHE A 34 -6.496 -3.527 -20.525 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.131 -5.066 -22.542 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.963 -6.028 -21.250 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.046 -4.739 -21.737 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.651 -6.784 -23.761 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.711 -5.719 -23.032 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.348 -8.110 -25.709 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.410 -7.044 -24.978 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.729 -8.239 -26.323 1.00 71.33 H new ATOM 531 N HIS A 35 -5.463 -3.773 -24.610 1.00 30.12 N ATOM 532 CA HIS A 35 -5.614 -3.012 -25.847 1.00 4.21 C ATOM 533 C HIS A 35 -5.749 -3.947 -27.045 1.00 71.42 C ATOM 534 O HIS A 35 -4.876 -4.778 -27.299 1.00 23.35 O ATOM 535 CB HIS A 35 -4.418 -2.080 -26.045 1.00 32.13 C ATOM 536 CG HIS A 35 -4.574 -1.145 -27.205 1.00 2.30 C ATOM 537 ND1 HIS A 35 -4.516 0.227 -27.078 1.00 73.35 N ATOM 538 CD2 HIS A 35 -4.785 -1.392 -28.519 1.00 54.12 C ATOM 539 CE1 HIS A 35 -4.687 0.784 -28.264 1.00 51.22 C ATOM 540 NE2 HIS A 35 -4.852 -0.177 -29.155 1.00 32.22 N ATOM 0 H HIS A 35 -4.695 -4.444 -24.618 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.522 -2.414 -25.770 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -4.268 -1.497 -25.136 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -3.520 -2.680 -26.191 1.00 32.13 H new ATOM 0 HD1 HIS A 35 -4.365 0.733 -26.205 1.00 73.35 H new ATOM 0 HD2 HIS A 35 -4.882 -2.363 -28.981 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -4.691 1.844 -28.470 1.00 51.22 H new ATOM 548 N ASP A 36 -6.848 -3.805 -27.778 1.00 25.23 N ATOM 549 CA ASP A 36 -7.098 -4.635 -28.950 1.00 42.21 C ATOM 550 C ASP A 36 -6.669 -3.918 -30.227 1.00 1.23 C ATOM 551 O ASP A 36 -6.993 -2.749 -30.433 1.00 31.51 O ATOM 552 CB ASP A 36 -8.579 -5.006 -29.033 1.00 24.32 C ATOM 553 CG ASP A 36 -8.897 -6.290 -28.292 1.00 34.45 C ATOM 554 OD1 ASP A 36 -8.083 -7.234 -28.365 1.00 21.31 O ATOM 555 OD2 ASP A 36 -9.960 -6.351 -27.639 1.00 70.42 O ATOM 0 H ASP A 36 -7.580 -3.123 -27.581 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.508 -5.546 -28.850 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -9.178 -4.194 -28.620 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.866 -5.113 -30.079 1.00 24.32 H new ATOM 560 N TYR A 37 -5.936 -4.627 -31.080 1.00 30.14 N ATOM 561 CA TYR A 37 -5.459 -4.057 -32.334 1.00 33.02 C ATOM 562 C TYR A 37 -6.618 -3.808 -33.295 1.00 52.25 C ATOM 563 O TYR A 37 -6.707 -2.750 -33.918 1.00 44.22 O ATOM 564 CB TYR A 37 -4.434 -4.987 -32.984 1.00 4.33 C ATOM 565 CG TYR A 37 -3.058 -4.902 -32.361 1.00 34.33 C ATOM 566 CD1 TYR A 37 -2.406 -3.681 -32.235 1.00 30.14 C ATOM 567 CD2 TYR A 37 -2.412 -6.041 -31.899 1.00 74.22 C ATOM 568 CE1 TYR A 37 -1.149 -3.599 -31.668 1.00 74.45 C ATOM 569 CE2 TYR A 37 -1.155 -5.968 -31.329 1.00 34.11 C ATOM 570 CZ TYR A 37 -0.528 -4.745 -31.216 1.00 12.12 C ATOM 571 OH TYR A 37 0.724 -4.666 -30.649 1.00 41.03 O ATOM 0 H TYR A 37 -5.660 -5.597 -30.925 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.983 -3.102 -32.112 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -4.792 -6.014 -32.914 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -4.359 -4.747 -34.045 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -2.890 -2.782 -32.586 1.00 30.14 H new ATOM 0 HD2 TYR A 37 -2.900 -7.000 -31.987 1.00 74.22 H new ATOM 0 HE1 TYR A 37 -0.655 -2.643 -31.579 1.00 74.45 H new ATOM 0 HE2 TYR A 37 -0.667 -6.864 -30.974 1.00 34.11 H new ATOM 0 HH TYR A 37 1.019 -5.562 -30.382 1.00 41.03 H new ATOM 581 N LYS A 38 -7.504 -4.791 -33.409 1.00 0.11 N ATOM 582 CA LYS A 38 -8.659 -4.682 -34.291 1.00 54.34 C ATOM 583 C LYS A 38 -9.707 -3.744 -33.702 1.00 63.30 C ATOM 584 O LYS A 38 -10.217 -2.855 -34.386 1.00 51.11 O ATOM 585 CB LYS A 38 -9.274 -6.062 -34.536 1.00 63.31 C ATOM 586 CG LYS A 38 -10.160 -6.125 -35.767 1.00 54.42 C ATOM 587 CD LYS A 38 -9.366 -5.881 -37.038 1.00 63.40 C ATOM 588 CE LYS A 38 -10.194 -6.179 -38.280 1.00 74.30 C ATOM 589 NZ LYS A 38 -9.528 -5.695 -39.520 1.00 30.43 N ATOM 0 H LYS A 38 -7.444 -5.673 -32.901 1.00 0.11 H new ATOM 0 HA LYS A 38 -8.320 -4.269 -35.241 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.473 -6.794 -34.638 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.859 -6.349 -33.663 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -10.642 -7.101 -35.820 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -10.953 -5.382 -35.684 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -9.029 -4.845 -37.064 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -8.473 -6.506 -37.036 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -10.363 -7.253 -38.354 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -11.172 -5.708 -38.186 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -10.124 -5.917 -40.343 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -9.389 -4.666 -39.460 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -8.605 -6.163 -39.624 1.00 30.43 H new ATOM 603 N LYS A 39 -10.025 -3.945 -32.427 1.00 13.11 N ATOM 604 CA LYS A 39 -11.011 -3.117 -31.744 1.00 43.13 C ATOM 605 C LYS A 39 -10.631 -1.641 -31.825 1.00 2.14 C ATOM 606 O LYS A 39 -11.466 -0.793 -32.137 1.00 41.33 O ATOM 607 CB LYS A 39 -11.137 -3.542 -30.278 1.00 74.40 C ATOM 608 CG LYS A 39 -12.509 -3.277 -29.685 1.00 14.42 C ATOM 609 CD LYS A 39 -12.677 -3.965 -28.340 1.00 32.52 C ATOM 610 CE LYS A 39 -13.077 -5.422 -28.506 1.00 13.12 C ATOM 611 NZ LYS A 39 -13.832 -5.929 -27.327 1.00 4.24 N ATOM 0 H LYS A 39 -9.613 -4.675 -31.846 1.00 13.11 H new ATOM 0 HA LYS A 39 -11.972 -3.255 -32.240 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.914 -4.606 -30.196 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -10.387 -3.013 -29.689 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -12.654 -2.203 -29.566 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -13.278 -3.628 -30.373 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -11.744 -3.904 -27.780 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -13.434 -3.443 -27.755 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -13.688 -5.531 -29.402 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -12.184 -6.029 -28.653 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -14.086 -6.926 -27.480 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -13.240 -5.849 -26.475 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -14.698 -5.367 -27.201 1.00 4.24 H new ATOM 625 N GLU A 40 -9.367 -1.344 -31.544 1.00 43.23 N ATOM 626 CA GLU A 40 -8.878 0.030 -31.586 1.00 30.23 C ATOM 627 C GLU A 40 -8.459 0.414 -33.003 1.00 71.01 C ATOM 628 O GLU A 40 -9.154 1.169 -33.683 1.00 70.35 O ATOM 629 CB GLU A 40 -7.697 0.204 -30.630 1.00 33.12 C ATOM 630 CG GLU A 40 -8.052 -0.046 -29.173 1.00 71.13 C ATOM 631 CD GLU A 40 -9.368 0.595 -28.775 1.00 51.30 C ATOM 632 OE1 GLU A 40 -9.363 1.792 -28.421 1.00 43.15 O ATOM 633 OE2 GLU A 40 -10.403 -0.103 -28.820 1.00 11.55 O ATOM 0 H GLU A 40 -8.663 -2.035 -31.285 1.00 43.23 H new ATOM 0 HA GLU A 40 -9.689 0.687 -31.273 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -6.899 -0.478 -30.923 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -7.304 1.216 -30.731 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -8.107 -1.120 -28.995 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -7.256 0.342 -28.537 1.00 71.13 H new ATOM 640 N GLY A 41 -7.318 -0.109 -33.439 1.00 12.45 N ATOM 641 CA GLY A 41 -6.826 0.190 -34.771 1.00 0.44 C ATOM 642 C GLY A 41 -5.312 0.202 -34.841 1.00 54.13 C ATOM 643 O GLY A 41 -4.636 0.271 -33.814 1.00 32.21 O ATOM 0 H GLY A 41 -6.725 -0.735 -32.894 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -7.213 -0.549 -35.472 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -7.209 1.160 -35.087 1.00 0.44 H new ATOM 647 N LEU A 42 -4.777 0.133 -36.055 1.00 61.22 N ATOM 648 CA LEU A 42 -3.332 0.133 -36.256 1.00 32.11 C ATOM 649 C LEU A 42 -2.947 1.016 -37.438 1.00 60.11 C ATOM 650 O LEU A 42 -3.275 0.712 -38.586 1.00 61.12 O ATOM 651 CB LEU A 42 -2.828 -1.293 -36.484 1.00 31.00 C ATOM 652 CG LEU A 42 -1.414 -1.593 -35.986 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.404 -0.689 -36.675 1.00 61.11 C ATOM 654 CD2 LEU A 42 -1.335 -1.430 -34.475 1.00 25.43 C ATOM 0 H LEU A 42 -5.322 0.076 -36.915 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.865 0.537 -35.357 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -3.517 -1.983 -35.997 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -2.868 -1.504 -37.553 1.00 31.00 H new ATOM 0 HG LEU A 42 -1.174 -2.627 -36.233 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.597 -0.916 -36.309 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -0.443 -0.855 -37.752 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -0.642 0.353 -36.459 1.00 61.11 H new ATOM 0 HD21 LEU A 42 -0.321 -1.647 -34.138 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -1.595 -0.406 -34.205 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -2.032 -2.119 -33.998 1.00 25.43 H new ATOM 666 N ASP A 43 -2.247 2.108 -37.152 1.00 24.10 N ATOM 667 CA ASP A 43 -1.814 3.033 -38.193 1.00 33.24 C ATOM 668 C ASP A 43 -0.301 2.971 -38.380 1.00 21.14 C ATOM 669 O ASP A 43 0.394 2.253 -37.661 1.00 4.53 O ATOM 670 CB ASP A 43 -2.238 4.461 -37.844 1.00 14.14 C ATOM 671 CG ASP A 43 -2.468 5.314 -39.076 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.347 4.956 -39.889 1.00 52.23 O ATOM 673 OD2 ASP A 43 -1.770 6.337 -39.230 1.00 4.11 O ATOM 0 H ASP A 43 -1.967 2.374 -36.208 1.00 24.10 H new ATOM 0 HA ASP A 43 -2.290 2.738 -39.128 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -3.152 4.431 -37.251 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -1.470 4.923 -37.224 1.00 14.14 H new ATOM 678 N ALA A 44 0.201 3.726 -39.351 1.00 11.33 N ATOM 679 CA ALA A 44 1.631 3.757 -39.632 1.00 41.31 C ATOM 680 C ALA A 44 2.414 4.300 -38.441 1.00 2.35 C ATOM 681 O ALA A 44 3.548 3.892 -38.195 1.00 3.31 O ATOM 682 CB ALA A 44 1.908 4.592 -40.873 1.00 54.41 C ATOM 0 H ALA A 44 -0.361 4.324 -39.956 1.00 11.33 H new ATOM 0 HA ALA A 44 1.961 2.734 -39.815 1.00 41.31 H new ATOM 0 HB1 ALA A 44 2.980 4.606 -41.070 1.00 54.41 H new ATOM 0 HB2 ALA A 44 1.387 4.158 -41.727 1.00 54.41 H new ATOM 0 HB3 ALA A 44 1.555 5.611 -40.712 1.00 54.41 H new ATOM 688 N GLU A 45 1.801 5.223 -37.708 1.00 21.11 N ATOM 689 CA GLU A 45 2.441 5.823 -36.543 1.00 32.33 C ATOM 690 C GLU A 45 2.750 4.766 -35.487 1.00 22.11 C ATOM 691 O GLU A 45 3.862 4.703 -34.961 1.00 3.32 O ATOM 692 CB GLU A 45 1.547 6.911 -35.945 1.00 25.10 C ATOM 693 CG GLU A 45 2.311 7.962 -35.157 1.00 65.44 C ATOM 694 CD GLU A 45 1.520 9.242 -34.971 1.00 54.25 C ATOM 695 OE1 GLU A 45 1.027 9.787 -35.981 1.00 35.42 O ATOM 696 OE2 GLU A 45 1.394 9.697 -33.815 1.00 31.22 O ATOM 0 H GLU A 45 0.862 5.572 -37.900 1.00 21.11 H new ATOM 0 HA GLU A 45 3.379 6.272 -36.868 1.00 32.33 H new ATOM 0 HB2 GLU A 45 0.997 7.400 -36.749 1.00 25.10 H new ATOM 0 HB3 GLU A 45 0.809 6.445 -35.292 1.00 25.10 H new ATOM 0 HG2 GLU A 45 2.575 7.557 -34.180 1.00 65.44 H new ATOM 0 HG3 GLU A 45 3.245 8.188 -35.671 1.00 65.44 H new ATOM 703 N THR A 46 1.758 3.935 -35.181 1.00 73.34 N ATOM 704 CA THR A 46 1.922 2.882 -34.187 1.00 14.20 C ATOM 705 C THR A 46 2.856 1.790 -34.693 1.00 20.44 C ATOM 706 O THR A 46 3.765 1.359 -33.982 1.00 51.10 O ATOM 707 CB THR A 46 0.568 2.250 -33.811 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.390 2.491 -34.847 1.00 61.33 O ATOM 709 CG2 THR A 46 0.054 2.817 -32.497 1.00 1.32 C ATOM 0 H THR A 46 0.832 3.971 -35.608 1.00 73.34 H new ATOM 0 HA THR A 46 2.357 3.347 -33.302 1.00 14.20 H new ATOM 0 HB THR A 46 0.713 1.176 -33.694 1.00 72.32 H new ATOM 0 HG1 THR A 46 0.003 2.263 -35.715 1.00 61.33 H new ATOM 0 HG21 THR A 46 -0.903 2.356 -32.252 1.00 1.32 H new ATOM 0 HG22 THR A 46 0.772 2.607 -31.704 1.00 1.32 H new ATOM 0 HG23 THR A 46 -0.076 3.895 -32.592 1.00 1.32 H new ATOM 717 N LEU A 47 2.629 1.346 -35.924 1.00 41.05 N ATOM 718 CA LEU A 47 3.452 0.303 -36.527 1.00 30.54 C ATOM 719 C LEU A 47 4.914 0.734 -36.593 1.00 4.21 C ATOM 720 O LEU A 47 5.807 0.001 -36.170 1.00 62.44 O ATOM 721 CB LEU A 47 2.942 -0.030 -37.929 1.00 40.43 C ATOM 722 CG LEU A 47 3.242 -1.443 -38.434 1.00 30.21 C ATOM 723 CD1 LEU A 47 4.742 -1.658 -38.558 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.626 -2.481 -37.509 1.00 35.34 C ATOM 0 H LEU A 47 1.881 1.692 -36.525 1.00 41.05 H new ATOM 0 HA LEU A 47 3.383 -0.587 -35.902 1.00 30.54 H new ATOM 0 HB2 LEU A 47 1.862 0.119 -37.946 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.374 0.684 -38.630 1.00 40.43 H new ATOM 0 HG LEU A 47 2.797 -1.558 -39.423 1.00 30.21 H new ATOM 0 HD11 LEU A 47 4.936 -2.668 -38.918 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.156 -0.936 -39.262 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.211 -1.524 -37.583 1.00 72.53 H new ATOM 0 HD21 LEU A 47 2.849 -3.480 -37.883 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.041 -2.368 -36.507 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.546 -2.340 -37.472 1.00 35.34 H new ATOM 736 N ASP A 48 5.149 1.929 -37.126 1.00 1.01 N ATOM 737 CA ASP A 48 6.502 2.459 -37.245 1.00 1.33 C ATOM 738 C ASP A 48 7.133 2.653 -35.870 1.00 4.12 C ATOM 739 O ASP A 48 8.280 2.267 -35.642 1.00 45.52 O ATOM 740 CB ASP A 48 6.487 3.786 -38.006 1.00 15.35 C ATOM 741 CG ASP A 48 7.836 4.122 -38.611 1.00 42.32 C ATOM 742 OD1 ASP A 48 8.854 3.592 -38.121 1.00 70.50 O ATOM 743 OD2 ASP A 48 7.873 4.915 -39.575 1.00 12.50 O ATOM 0 H ASP A 48 4.420 2.548 -37.482 1.00 1.01 H new ATOM 0 HA ASP A 48 7.101 1.737 -37.800 1.00 1.33 H new ATOM 0 HB2 ASP A 48 5.739 3.739 -38.797 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.186 4.586 -37.330 1.00 15.35 H new ATOM 748 N ARG A 49 6.377 3.255 -34.958 1.00 40.22 N ATOM 749 CA ARG A 49 6.863 3.503 -33.606 1.00 24.55 C ATOM 750 C ARG A 49 7.338 2.208 -32.953 1.00 53.00 C ATOM 751 O ARG A 49 8.389 2.173 -32.313 1.00 73.52 O ATOM 752 CB ARG A 49 5.764 4.143 -32.755 1.00 41.24 C ATOM 753 CG ARG A 49 5.695 5.655 -32.887 1.00 35.00 C ATOM 754 CD ARG A 49 6.845 6.332 -32.158 1.00 53.11 C ATOM 755 NE ARG A 49 6.773 7.787 -32.253 1.00 73.43 N ATOM 756 CZ ARG A 49 7.761 8.597 -31.885 1.00 12.33 C ATOM 757 NH1 ARG A 49 8.888 8.095 -31.402 1.00 1.45 N ATOM 758 NH2 ARG A 49 7.621 9.911 -32.003 1.00 21.11 N ATOM 0 H ARG A 49 5.426 3.580 -35.131 1.00 40.22 H new ATOM 0 HA ARG A 49 7.708 4.188 -33.671 1.00 24.55 H new ATOM 0 HB2 ARG A 49 4.802 3.718 -33.040 1.00 41.24 H new ATOM 0 HB3 ARG A 49 5.930 3.885 -31.709 1.00 41.24 H new ATOM 0 HG2 ARG A 49 5.719 5.931 -33.941 1.00 35.00 H new ATOM 0 HG3 ARG A 49 4.747 6.013 -32.485 1.00 35.00 H new ATOM 0 HD2 ARG A 49 6.833 6.036 -31.109 1.00 53.11 H new ATOM 0 HD3 ARG A 49 7.791 5.988 -32.575 1.00 53.11 H new ATOM 0 HE ARG A 49 5.919 8.205 -32.622 1.00 73.43 H new ATOM 0 HH11 ARG A 49 8.999 7.085 -31.312 1.00 1.45 H new ATOM 0 HH12 ARG A 49 9.645 8.718 -31.120 1.00 1.45 H new ATOM 0 HH21 ARG A 49 6.755 10.300 -32.376 1.00 21.11 H new ATOM 0 HH22 ARG A 49 8.379 10.532 -31.721 1.00 21.11 H new ATOM 772 N PHE A 50 6.556 1.147 -33.118 1.00 52.05 N ATOM 773 CA PHE A 50 6.895 -0.150 -32.544 1.00 23.30 C ATOM 774 C PHE A 50 8.043 -0.801 -33.310 1.00 71.14 C ATOM 775 O PHE A 50 8.857 -1.525 -32.735 1.00 40.10 O ATOM 776 CB PHE A 50 5.673 -1.072 -32.555 1.00 63.44 C ATOM 777 CG PHE A 50 4.654 -0.728 -31.506 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.032 -0.561 -30.183 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.319 -0.573 -31.842 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.096 -0.245 -29.217 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.380 -0.259 -30.880 1.00 41.31 C ATOM 782 CZ PHE A 50 2.768 -0.093 -29.565 1.00 24.45 C ATOM 0 H PHE A 50 5.683 1.160 -33.645 1.00 52.05 H new ATOM 0 HA PHE A 50 7.213 0.009 -31.514 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.202 -1.026 -33.537 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.002 -2.101 -32.407 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.069 -0.679 -29.904 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.009 -0.699 -32.869 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.403 -0.117 -28.189 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.342 -0.143 -31.156 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.035 0.155 -28.811 1.00 24.45 H new ATOM 792 N LEU A 51 8.103 -0.537 -34.610 1.00 22.50 N ATOM 793 CA LEU A 51 9.152 -1.096 -35.457 1.00 0.23 C ATOM 794 C LEU A 51 10.518 -0.533 -35.076 1.00 53.31 C ATOM 795 O LEU A 51 11.523 -1.242 -35.104 1.00 22.12 O ATOM 796 CB LEU A 51 8.858 -0.801 -36.929 1.00 24.51 C ATOM 797 CG LEU A 51 9.422 -1.800 -37.940 1.00 22.33 C ATOM 798 CD1 LEU A 51 10.941 -1.811 -37.888 1.00 70.24 C ATOM 799 CD2 LEU A 51 8.868 -3.193 -37.678 1.00 23.22 C ATOM 0 H LEU A 51 7.438 0.060 -35.101 1.00 22.50 H new ATOM 0 HA LEU A 51 9.170 -2.175 -35.306 1.00 0.23 H new ATOM 0 HB2 LEU A 51 7.777 -0.753 -37.060 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.252 0.187 -37.166 1.00 24.51 H new ATOM 0 HG LEU A 51 9.115 -1.490 -38.939 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.325 -2.528 -38.614 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.320 -0.817 -38.124 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.269 -2.096 -36.888 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.280 -3.891 -38.407 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.145 -3.512 -36.673 1.00 23.22 H new ATOM 0 HD23 LEU A 51 7.782 -3.175 -37.766 1.00 23.22 H new ATOM 811 N LYS A 52 10.545 0.747 -34.719 1.00 72.22 N ATOM 812 CA LYS A 52 11.786 1.405 -34.329 1.00 13.04 C ATOM 813 C LYS A 52 12.293 0.866 -32.995 1.00 1.22 C ATOM 814 O LYS A 52 13.495 0.690 -32.800 1.00 22.51 O ATOM 815 CB LYS A 52 11.576 2.919 -34.232 1.00 14.41 C ATOM 816 CG LYS A 52 11.552 3.616 -35.581 1.00 64.25 C ATOM 817 CD LYS A 52 11.316 5.109 -35.432 1.00 12.02 C ATOM 818 CE LYS A 52 11.577 5.849 -36.736 1.00 32.31 C ATOM 819 NZ LYS A 52 13.030 6.098 -36.950 1.00 13.43 N ATOM 0 H LYS A 52 9.722 1.349 -34.692 1.00 72.22 H new ATOM 0 HA LYS A 52 12.534 1.195 -35.093 1.00 13.04 H new ATOM 0 HB2 LYS A 52 10.637 3.115 -33.714 1.00 14.41 H new ATOM 0 HB3 LYS A 52 12.371 3.350 -33.624 1.00 14.41 H new ATOM 0 HG2 LYS A 52 12.497 3.446 -36.097 1.00 64.25 H new ATOM 0 HG3 LYS A 52 10.768 3.183 -36.202 1.00 64.25 H new ATOM 0 HD2 LYS A 52 10.289 5.286 -35.112 1.00 12.02 H new ATOM 0 HD3 LYS A 52 11.966 5.505 -34.652 1.00 12.02 H new ATOM 0 HE2 LYS A 52 11.181 5.268 -37.569 1.00 32.31 H new ATOM 0 HE3 LYS A 52 11.043 6.799 -36.728 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 13.167 6.604 -37.848 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 13.402 6.674 -36.168 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 13.537 5.190 -36.983 1.00 13.43 H new ATOM 833 N THR A 53 11.366 0.603 -32.078 1.00 24.20 N ATOM 834 CA THR A 53 11.719 0.084 -30.763 1.00 34.52 C ATOM 835 C THR A 53 12.009 -1.412 -30.822 1.00 21.14 C ATOM 836 O THR A 53 12.766 -1.940 -30.007 1.00 72.44 O ATOM 837 CB THR A 53 10.595 0.335 -29.739 1.00 24.53 C ATOM 838 OG1 THR A 53 10.059 1.652 -29.915 1.00 13.12 O ATOM 839 CG2 THR A 53 11.113 0.179 -28.318 1.00 64.44 C ATOM 0 H THR A 53 10.366 0.741 -32.223 1.00 24.20 H new ATOM 0 HA THR A 53 12.617 0.615 -30.445 1.00 34.52 H new ATOM 0 HB THR A 53 9.810 -0.403 -29.905 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.494 1.671 -30.716 1.00 13.12 H new ATOM 0 HG21 THR A 53 10.302 0.361 -27.613 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.495 -0.832 -28.179 1.00 64.44 H new ATOM 0 HG23 THR A 53 11.914 0.897 -28.142 1.00 64.44 H new ATOM 847 N VAL A 54 11.405 -2.089 -31.793 1.00 5.34 N ATOM 848 CA VAL A 54 11.601 -3.524 -31.960 1.00 43.11 C ATOM 849 C VAL A 54 11.536 -3.920 -33.431 1.00 50.42 C ATOM 850 O VAL A 54 10.639 -3.512 -34.170 1.00 41.32 O ATOM 851 CB VAL A 54 10.549 -4.330 -31.175 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.781 -5.823 -31.347 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.571 -3.944 -29.704 1.00 51.22 C ATOM 0 H VAL A 54 10.776 -1.667 -32.476 1.00 5.34 H new ATOM 0 HA VAL A 54 12.591 -3.756 -31.568 1.00 43.11 H new ATOM 0 HB VAL A 54 9.563 -4.093 -31.574 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.028 -6.375 -30.785 1.00 15.02 H new ATOM 0 HG12 VAL A 54 10.709 -6.083 -32.403 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.773 -6.082 -30.976 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.821 -4.523 -29.165 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.557 -4.150 -29.288 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.350 -2.881 -29.603 1.00 51.22 H new ATOM 863 N PRO A 55 12.507 -4.736 -33.868 1.00 2.25 N ATOM 864 CA PRO A 55 12.581 -5.206 -35.254 1.00 2.03 C ATOM 865 C PRO A 55 11.468 -6.192 -35.593 1.00 74.41 C ATOM 866 O PRO A 55 11.029 -6.962 -34.740 1.00 51.24 O ATOM 867 CB PRO A 55 13.945 -5.898 -35.321 1.00 33.24 C ATOM 868 CG PRO A 55 14.229 -6.312 -33.919 1.00 34.23 C ATOM 869 CD PRO A 55 13.607 -5.261 -33.042 1.00 62.25 C ATOM 0 HA PRO A 55 12.465 -4.390 -35.967 1.00 2.03 H new ATOM 0 HB2 PRO A 55 13.920 -6.758 -35.990 1.00 33.24 H new ATOM 0 HB3 PRO A 55 14.713 -5.223 -35.698 1.00 33.24 H new ATOM 0 HG2 PRO A 55 13.807 -7.295 -33.709 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.302 -6.382 -33.743 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.241 -5.683 -32.106 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.322 -4.480 -32.781 1.00 62.25 H new ATOM 877 N TRP A 56 11.016 -6.160 -36.841 1.00 2.13 N ATOM 878 CA TRP A 56 9.953 -7.051 -37.292 1.00 72.32 C ATOM 879 C TRP A 56 10.292 -8.505 -36.978 1.00 33.30 C ATOM 880 O TRP A 56 9.419 -9.285 -36.600 1.00 54.31 O ATOM 881 CB TRP A 56 9.721 -6.883 -38.795 1.00 43.12 C ATOM 882 CG TRP A 56 10.970 -7.030 -39.609 1.00 71.25 C ATOM 883 CD1 TRP A 56 11.824 -6.034 -39.989 1.00 71.41 C ATOM 884 CD2 TRP A 56 11.505 -8.245 -40.146 1.00 63.01 C ATOM 885 NE1 TRP A 56 12.856 -6.556 -40.729 1.00 11.50 N ATOM 886 CE2 TRP A 56 12.685 -7.910 -40.839 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.104 -9.583 -40.106 1.00 64.22 C ATOM 888 CZ2 TRP A 56 13.464 -8.865 -41.487 1.00 2.44 C ATOM 889 CZ3 TRP A 56 11.878 -10.529 -40.749 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.047 -10.168 -41.432 1.00 14.15 C ATOM 0 H TRP A 56 11.369 -5.527 -37.559 1.00 2.13 H new ATOM 0 HA TRP A 56 9.040 -6.786 -36.758 1.00 72.32 H new ATOM 0 HB2 TRP A 56 8.991 -7.621 -39.127 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.288 -5.900 -38.981 1.00 43.12 H new ATOM 0 HD1 TRP A 56 11.705 -4.989 -39.743 1.00 71.41 H new ATOM 0 HE1 TRP A 56 13.626 -6.021 -41.132 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.205 -9.872 -39.582 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 14.365 -8.588 -42.014 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 11.577 -11.566 -40.725 1.00 44.31 H new ATOM 0 HH2 TRP A 56 13.630 -10.932 -41.924 1.00 14.15 H new ATOM 901 N GLU A 57 11.563 -8.859 -37.136 1.00 24.51 N ATOM 902 CA GLU A 57 12.015 -10.220 -36.870 1.00 64.15 C ATOM 903 C GLU A 57 11.644 -10.648 -35.453 1.00 74.11 C ATOM 904 O GLU A 57 11.482 -11.837 -35.175 1.00 43.02 O ATOM 905 CB GLU A 57 13.529 -10.327 -37.065 1.00 44.32 C ATOM 906 CG GLU A 57 14.333 -9.602 -35.999 1.00 74.32 C ATOM 907 CD GLU A 57 15.698 -9.165 -36.495 1.00 2.22 C ATOM 908 OE1 GLU A 57 15.757 -8.450 -37.517 1.00 73.32 O ATOM 909 OE2 GLU A 57 16.706 -9.537 -35.860 1.00 35.22 O ATOM 0 H GLU A 57 12.298 -8.223 -37.447 1.00 24.51 H new ATOM 0 HA GLU A 57 11.517 -10.885 -37.576 1.00 64.15 H new ATOM 0 HB2 GLU A 57 13.813 -11.379 -37.069 1.00 44.32 H new ATOM 0 HB3 GLU A 57 13.790 -9.923 -38.043 1.00 44.32 H new ATOM 0 HG2 GLU A 57 13.776 -8.728 -35.661 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.456 -10.255 -35.135 1.00 74.32 H new ATOM 916 N GLN A 58 11.509 -9.672 -34.561 1.00 73.33 N ATOM 917 CA GLN A 58 11.158 -9.948 -33.173 1.00 13.45 C ATOM 918 C GLN A 58 9.834 -9.287 -32.805 1.00 24.32 C ATOM 919 O GLN A 58 9.591 -8.966 -31.640 1.00 52.14 O ATOM 920 CB GLN A 58 12.265 -9.458 -32.238 1.00 52.31 C ATOM 921 CG GLN A 58 13.539 -10.283 -32.317 1.00 2.22 C ATOM 922 CD GLN A 58 14.312 -10.290 -31.013 1.00 73.04 C ATOM 923 OE1 GLN A 58 13.766 -10.608 -29.956 1.00 12.51 O ATOM 924 NE2 GLN A 58 15.591 -9.939 -31.080 1.00 11.14 N ATOM 0 H GLN A 58 11.637 -8.683 -34.775 1.00 73.33 H new ATOM 0 HA GLN A 58 11.048 -11.026 -33.059 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.499 -8.421 -32.478 1.00 52.31 H new ATOM 0 HB3 GLN A 58 11.896 -9.473 -31.213 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.287 -11.308 -32.591 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.175 -9.888 -33.110 1.00 2.22 H new ATOM 0 HE21 GLN A 58 16.003 -9.683 -31.977 1.00 11.14 H new ATOM 0 HE22 GLN A 58 16.161 -9.926 -30.234 1.00 11.14 H new ATOM 933 N LEU A 59 8.982 -9.083 -33.803 1.00 41.15 N ATOM 934 CA LEU A 59 7.682 -8.459 -33.585 1.00 23.12 C ATOM 935 C LEU A 59 6.576 -9.248 -34.277 1.00 51.11 C ATOM 936 O LEU A 59 5.453 -8.764 -34.426 1.00 4.12 O ATOM 937 CB LEU A 59 7.693 -7.018 -34.097 1.00 20.44 C ATOM 938 CG LEU A 59 6.698 -6.063 -33.437 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.116 -5.763 -32.005 1.00 5.54 C ATOM 940 CD2 LEU A 59 6.580 -4.777 -34.241 1.00 61.44 C ATOM 0 H LEU A 59 9.168 -9.341 -34.772 1.00 41.15 H new ATOM 0 HA LEU A 59 7.484 -8.455 -32.513 1.00 23.12 H new ATOM 0 HB2 LEU A 59 8.697 -6.614 -33.964 1.00 20.44 H new ATOM 0 HB3 LEU A 59 7.495 -7.033 -35.169 1.00 20.44 H new ATOM 0 HG LEU A 59 5.721 -6.545 -33.415 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.396 -5.082 -31.551 1.00 5.54 H new ATOM 0 HD12 LEU A 59 7.148 -6.691 -31.433 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.103 -5.301 -32.003 1.00 5.54 H new ATOM 0 HD21 LEU A 59 5.868 -4.109 -33.757 1.00 61.44 H new ATOM 0 HD22 LEU A 59 7.554 -4.291 -34.295 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.233 -5.008 -35.248 1.00 61.44 H new ATOM 952 N LEU A 60 6.900 -10.466 -34.699 1.00 55.45 N ATOM 953 CA LEU A 60 5.932 -11.324 -35.374 1.00 62.31 C ATOM 954 C LEU A 60 6.233 -12.795 -35.111 1.00 44.10 C ATOM 955 O LEU A 60 7.387 -13.180 -34.926 1.00 61.30 O ATOM 956 CB LEU A 60 5.943 -11.051 -36.879 1.00 44.32 C ATOM 957 CG LEU A 60 7.054 -11.734 -37.677 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.485 -12.850 -38.539 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.794 -10.719 -38.537 1.00 71.44 C ATOM 0 H LEU A 60 7.825 -10.881 -34.586 1.00 55.45 H new ATOM 0 HA LEU A 60 4.943 -11.098 -34.977 1.00 62.31 H new ATOM 0 HB2 LEU A 60 4.983 -11.362 -37.291 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.022 -9.975 -37.032 1.00 44.32 H new ATOM 0 HG LEU A 60 7.763 -12.172 -36.974 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.291 -13.324 -39.099 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.001 -13.591 -37.902 1.00 41.24 H new ATOM 0 HD13 LEU A 60 5.754 -12.436 -39.234 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.581 -11.223 -39.098 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.095 -10.252 -39.231 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.236 -9.954 -37.898 1.00 71.44 H new ATOM 971 N ASN A 61 5.186 -13.614 -35.095 1.00 14.22 N ATOM 972 CA ASN A 61 5.338 -15.046 -34.856 1.00 33.24 C ATOM 973 C ASN A 61 6.380 -15.646 -35.795 1.00 54.15 C ATOM 974 O ASN A 61 6.451 -15.289 -36.971 1.00 1.23 O ATOM 975 CB ASN A 61 3.997 -15.760 -35.040 1.00 52.35 C ATOM 976 CG ASN A 61 3.213 -15.222 -36.221 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.145 -14.631 -36.054 1.00 42.20 O ATOM 978 ND2 ASN A 61 3.740 -15.425 -37.422 1.00 71.33 N ATOM 0 H ASN A 61 4.224 -13.311 -35.245 1.00 14.22 H new ATOM 0 HA ASN A 61 5.677 -15.184 -33.829 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.173 -16.827 -35.180 1.00 52.35 H new ATOM 0 HB3 ASN A 61 3.403 -15.651 -34.133 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.258 -15.086 -38.254 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.627 -15.920 -37.513 1.00 71.33 H new ATOM 985 N ARG A 62 7.187 -16.562 -35.266 1.00 14.43 N ATOM 986 CA ARG A 62 8.224 -17.212 -36.057 1.00 62.32 C ATOM 987 C ARG A 62 7.907 -18.691 -36.260 1.00 71.20 C ATOM 988 O ARG A 62 7.848 -19.173 -37.390 1.00 73.11 O ATOM 989 CB ARG A 62 9.585 -17.061 -35.373 1.00 1.22 C ATOM 990 CG ARG A 62 10.200 -15.681 -35.538 1.00 71.45 C ATOM 991 CD ARG A 62 9.857 -14.774 -34.367 1.00 72.42 C ATOM 992 NE ARG A 62 10.621 -15.113 -33.170 1.00 15.00 N ATOM 993 CZ ARG A 62 11.925 -14.887 -33.043 1.00 45.11 C ATOM 994 NH1 ARG A 62 12.604 -14.325 -34.032 1.00 32.15 N ATOM 995 NH2 ARG A 62 12.550 -15.223 -31.921 1.00 4.03 N ATOM 0 H ARG A 62 7.142 -16.869 -34.294 1.00 14.43 H new ATOM 0 HA ARG A 62 8.258 -16.728 -37.033 1.00 62.32 H new ATOM 0 HB2 ARG A 62 9.474 -17.275 -34.310 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.270 -17.806 -35.778 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.283 -15.772 -35.624 1.00 71.45 H new ATOM 0 HG3 ARG A 62 9.843 -15.231 -36.465 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.054 -13.738 -34.641 1.00 72.42 H new ATOM 0 HD3 ARG A 62 8.791 -14.849 -34.150 1.00 72.42 H new ATOM 0 HE ARG A 62 10.128 -15.546 -32.389 1.00 15.00 H new ATOM 0 HH11 ARG A 62 12.126 -14.064 -34.895 1.00 32.15 H new ATOM 0 HH12 ARG A 62 13.604 -14.153 -33.931 1.00 32.15 H new ATOM 0 HH21 ARG A 62 12.030 -15.654 -31.157 1.00 4.03 H new ATOM 0 HH22 ARG A 62 13.550 -15.050 -31.823 1.00 4.03 H new ATOM 1009 N ALA A 63 7.705 -19.403 -35.157 1.00 13.41 N ATOM 1010 CA ALA A 63 7.392 -20.827 -35.215 1.00 11.25 C ATOM 1011 C ALA A 63 5.886 -21.061 -35.150 1.00 40.23 C ATOM 1012 O ALA A 63 5.429 -22.090 -34.656 1.00 15.22 O ATOM 1013 CB ALA A 63 8.092 -21.567 -34.085 1.00 4.01 C ATOM 0 H ALA A 63 7.752 -19.019 -34.213 1.00 13.41 H new ATOM 0 HA ALA A 63 7.753 -21.215 -36.168 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.850 -22.628 -34.140 1.00 4.01 H new ATOM 0 HB2 ALA A 63 9.170 -21.436 -34.177 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.758 -21.168 -33.127 1.00 4.01 H new ATOM 1019 N GLY A 64 5.120 -20.097 -35.652 1.00 15.42 N ATOM 1020 CA GLY A 64 3.673 -20.217 -35.640 1.00 64.14 C ATOM 1021 C GLY A 64 3.113 -20.601 -36.996 1.00 10.02 C ATOM 1022 O GLY A 64 3.784 -20.457 -38.018 1.00 62.15 O ATOM 0 H GLY A 64 5.475 -19.235 -36.067 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.379 -20.965 -34.904 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.235 -19.270 -35.324 1.00 64.14 H new ATOM 1026 N THR A 65 1.878 -21.092 -37.006 1.00 32.42 N ATOM 1027 CA THR A 65 1.228 -21.500 -38.244 1.00 14.14 C ATOM 1028 C THR A 65 1.162 -20.345 -39.238 1.00 2.22 C ATOM 1029 O THR A 65 1.215 -20.551 -40.450 1.00 74.54 O ATOM 1030 CB THR A 65 -0.199 -22.020 -37.986 1.00 43.52 C ATOM 1031 OG1 THR A 65 -1.026 -20.959 -37.495 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.184 -23.164 -36.983 1.00 24.43 C ATOM 0 H THR A 65 1.308 -21.217 -36.170 1.00 32.42 H new ATOM 0 HA THR A 65 1.830 -22.305 -38.665 1.00 14.14 H new ATOM 0 HB THR A 65 -0.604 -22.389 -38.928 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.932 -21.297 -37.335 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.202 -23.515 -36.816 1.00 24.43 H new ATOM 0 HG22 THR A 65 0.423 -23.982 -37.373 1.00 24.43 H new ATOM 0 HG23 THR A 65 0.239 -22.816 -36.040 1.00 24.43 H new ATOM 1040 N THR A 66 1.048 -19.128 -38.716 1.00 75.01 N ATOM 1041 CA THR A 66 0.975 -17.939 -39.557 1.00 24.34 C ATOM 1042 C THR A 66 2.238 -17.783 -40.397 1.00 70.12 C ATOM 1043 O THR A 66 2.170 -17.467 -41.585 1.00 31.44 O ATOM 1044 CB THR A 66 0.771 -16.666 -38.714 1.00 53.23 C ATOM 1045 OG1 THR A 66 0.545 -17.017 -37.344 1.00 11.42 O ATOM 1046 CG2 THR A 66 -0.405 -15.854 -39.236 1.00 2.54 C ATOM 0 H THR A 66 1.004 -18.939 -37.715 1.00 75.01 H new ATOM 0 HA THR A 66 0.117 -18.069 -40.216 1.00 24.34 H new ATOM 0 HB THR A 66 1.673 -16.058 -38.789 1.00 53.23 H new ATOM 0 HG1 THR A 66 0.561 -16.207 -36.792 1.00 11.42 H new ATOM 0 HG21 THR A 66 -0.530 -14.960 -38.625 1.00 2.54 H new ATOM 0 HG22 THR A 66 -0.217 -15.564 -40.270 1.00 2.54 H new ATOM 0 HG23 THR A 66 -1.313 -16.456 -39.188 1.00 2.54 H new ATOM 1054 N PHE A 67 3.390 -18.005 -39.772 1.00 31.33 N ATOM 1055 CA PHE A 67 4.669 -17.887 -40.463 1.00 51.22 C ATOM 1056 C PHE A 67 4.904 -19.085 -41.379 1.00 2.20 C ATOM 1057 O PHE A 67 5.494 -18.954 -42.452 1.00 62.22 O ATOM 1058 CB PHE A 67 5.810 -17.773 -39.451 1.00 14.00 C ATOM 1059 CG PHE A 67 7.160 -17.596 -40.087 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.856 -18.688 -40.580 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.731 -16.338 -40.192 1.00 15.52 C ATOM 1062 CE1 PHE A 67 9.099 -18.527 -41.164 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.972 -16.171 -40.776 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.657 -17.267 -41.264 1.00 75.02 C ATOM 0 H PHE A 67 3.464 -18.267 -38.789 1.00 31.33 H new ATOM 0 HA PHE A 67 4.643 -16.984 -41.074 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.615 -16.929 -38.790 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.825 -18.668 -38.829 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.423 -19.675 -40.507 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.200 -15.478 -39.813 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.634 -19.386 -41.542 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.406 -15.185 -40.851 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.626 -17.139 -41.723 1.00 75.02 H new ATOM 1074 N ARG A 68 4.440 -20.253 -40.947 1.00 35.20 N ATOM 1075 CA ARG A 68 4.601 -21.475 -41.726 1.00 13.24 C ATOM 1076 C ARG A 68 3.533 -21.572 -42.812 1.00 42.44 C ATOM 1077 O ARG A 68 3.543 -22.495 -43.627 1.00 51.04 O ATOM 1078 CB ARG A 68 4.529 -22.701 -40.813 1.00 65.20 C ATOM 1079 CG ARG A 68 5.886 -23.162 -40.305 1.00 50.00 C ATOM 1080 CD ARG A 68 5.868 -24.635 -39.931 1.00 44.21 C ATOM 1081 NE ARG A 68 5.541 -25.486 -41.072 1.00 1.04 N ATOM 1082 CZ ARG A 68 5.717 -26.803 -41.081 1.00 43.45 C ATOM 1083 NH1 ARG A 68 6.212 -27.416 -40.015 1.00 73.52 N ATOM 1084 NH2 ARG A 68 5.396 -27.508 -42.158 1.00 33.20 N ATOM 0 H ARG A 68 3.949 -20.379 -40.062 1.00 35.20 H new ATOM 0 HA ARG A 68 5.580 -21.445 -42.205 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.890 -22.472 -39.960 1.00 65.20 H new ATOM 0 HB3 ARG A 68 4.056 -23.520 -41.355 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.641 -22.989 -41.072 1.00 50.00 H new ATOM 0 HG3 ARG A 68 6.172 -22.568 -39.437 1.00 50.00 H new ATOM 0 HD2 ARG A 68 6.842 -24.920 -39.534 1.00 44.21 H new ATOM 0 HD3 ARG A 68 5.140 -24.798 -39.137 1.00 44.21 H new ATOM 0 HE ARG A 68 5.156 -25.045 -41.908 1.00 1.04 H new ATOM 0 HH11 ARG A 68 6.459 -26.877 -39.185 1.00 73.52 H new ATOM 0 HH12 ARG A 68 6.346 -28.427 -40.025 1.00 73.52 H new ATOM 0 HH21 ARG A 68 5.014 -27.039 -42.979 1.00 33.20 H new ATOM 0 HH22 ARG A 68 5.531 -28.519 -42.165 1.00 33.20 H new ATOM 1098 N LYS A 69 2.612 -20.614 -42.815 1.00 73.43 N ATOM 1099 CA LYS A 69 1.537 -20.591 -43.800 1.00 73.42 C ATOM 1100 C LYS A 69 2.097 -20.493 -45.215 1.00 41.12 C ATOM 1101 O LYS A 69 1.414 -20.817 -46.188 1.00 52.53 O ATOM 1102 CB LYS A 69 0.597 -19.414 -43.530 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.794 -19.599 -44.114 1.00 71.24 C ATOM 1104 CD LYS A 69 -1.672 -18.385 -43.861 1.00 50.32 C ATOM 1105 CE LYS A 69 -2.448 -18.522 -42.560 1.00 72.15 C ATOM 1106 NZ LYS A 69 -3.389 -17.385 -42.354 1.00 71.33 N ATOM 0 H LYS A 69 2.589 -19.844 -42.147 1.00 73.43 H new ATOM 0 HA LYS A 69 0.978 -21.523 -43.713 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.513 -19.267 -42.453 1.00 31.13 H new ATOM 0 HB3 LYS A 69 1.037 -18.506 -43.943 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.718 -19.777 -45.187 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -1.259 -20.483 -43.676 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -1.054 -17.488 -43.825 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -2.368 -18.259 -44.690 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -3.006 -19.459 -42.566 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -1.750 -18.572 -41.724 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -3.899 -17.515 -41.457 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -2.855 -16.493 -42.323 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -4.071 -17.352 -43.138 1.00 71.33 H new ATOM 1120 N LEU A 70 3.344 -20.048 -45.323 1.00 1.50 N ATOM 1121 CA LEU A 70 3.996 -19.910 -46.620 1.00 30.25 C ATOM 1122 C LEU A 70 5.214 -20.824 -46.717 1.00 52.51 C ATOM 1123 O LEU A 70 5.804 -21.222 -45.713 1.00 53.44 O ATOM 1124 CB LEU A 70 4.416 -18.457 -46.850 1.00 30.13 C ATOM 1125 CG LEU A 70 3.292 -17.481 -47.201 1.00 75.04 C ATOM 1126 CD1 LEU A 70 3.654 -16.071 -46.764 1.00 23.34 C ATOM 1127 CD2 LEU A 70 2.999 -17.520 -48.693 1.00 52.00 C ATOM 0 H LEU A 70 3.923 -19.777 -44.528 1.00 1.50 H new ATOM 0 HA LEU A 70 3.282 -20.202 -47.390 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.915 -18.097 -45.950 1.00 30.13 H new ATOM 0 HB3 LEU A 70 5.153 -18.435 -47.653 1.00 30.13 H new ATOM 0 HG LEU A 70 2.392 -17.785 -46.666 1.00 75.04 H new ATOM 0 HD11 LEU A 70 2.843 -15.391 -47.022 1.00 23.34 H new ATOM 0 HD12 LEU A 70 3.813 -16.054 -45.686 1.00 23.34 H new ATOM 0 HD13 LEU A 70 4.566 -15.756 -47.270 1.00 23.34 H new ATOM 0 HD21 LEU A 70 2.197 -16.819 -48.925 1.00 52.00 H new ATOM 0 HD22 LEU A 70 3.895 -17.241 -49.247 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.695 -18.527 -48.978 1.00 52.00 H new ATOM 1139 N PRO A 71 5.602 -21.164 -47.955 1.00 40.12 N ATOM 1140 CA PRO A 71 6.755 -22.032 -48.213 1.00 21.41 C ATOM 1141 C PRO A 71 8.078 -21.353 -47.879 1.00 4.43 C ATOM 1142 O PRO A 71 8.106 -20.186 -47.489 1.00 61.04 O ATOM 1143 CB PRO A 71 6.660 -22.310 -49.715 1.00 10.33 C ATOM 1144 CG PRO A 71 5.914 -21.145 -50.270 1.00 64.15 C ATOM 1145 CD PRO A 71 4.946 -20.726 -49.199 1.00 72.42 C ATOM 0 HA PRO A 71 6.734 -22.931 -47.597 1.00 21.41 H new ATOM 0 HB2 PRO A 71 7.649 -22.397 -50.165 1.00 10.33 H new ATOM 0 HB3 PRO A 71 6.137 -23.246 -49.912 1.00 10.33 H new ATOM 0 HG2 PRO A 71 6.593 -20.331 -50.522 1.00 64.15 H new ATOM 0 HG3 PRO A 71 5.389 -21.418 -51.186 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.779 -19.649 -49.207 1.00 72.42 H new ATOM 0 HD3 PRO A 71 3.973 -21.200 -49.329 1.00 72.42 H new ATOM 1153 N GLU A 72 9.173 -22.092 -48.034 1.00 64.42 N ATOM 1154 CA GLU A 72 10.500 -21.559 -47.748 1.00 2.33 C ATOM 1155 C GLU A 72 10.874 -20.467 -48.745 1.00 32.21 C ATOM 1156 O GLU A 72 11.536 -19.490 -48.393 1.00 64.11 O ATOM 1157 CB GLU A 72 11.542 -22.678 -47.786 1.00 3.30 C ATOM 1158 CG GLU A 72 11.482 -23.524 -49.047 1.00 14.02 C ATOM 1159 CD GLU A 72 12.660 -24.471 -49.171 1.00 23.34 C ATOM 1160 OE1 GLU A 72 13.778 -24.084 -48.772 1.00 4.25 O ATOM 1161 OE2 GLU A 72 12.463 -25.599 -49.669 1.00 2.14 O ATOM 0 H GLU A 72 9.167 -23.060 -48.356 1.00 64.42 H new ATOM 0 HA GLU A 72 10.481 -21.124 -46.749 1.00 2.33 H new ATOM 0 HB2 GLU A 72 12.536 -22.240 -47.700 1.00 3.30 H new ATOM 0 HB3 GLU A 72 11.402 -23.323 -46.919 1.00 3.30 H new ATOM 0 HG2 GLU A 72 10.556 -24.099 -49.050 1.00 14.02 H new ATOM 0 HG3 GLU A 72 11.454 -22.869 -49.918 1.00 14.02 H new ATOM 1168 N ASP A 73 10.447 -20.639 -49.990 1.00 54.44 N ATOM 1169 CA ASP A 73 10.736 -19.669 -51.040 1.00 22.54 C ATOM 1170 C ASP A 73 10.081 -18.325 -50.733 1.00 73.43 C ATOM 1171 O ASP A 73 10.737 -17.284 -50.753 1.00 20.35 O ATOM 1172 CB ASP A 73 10.251 -20.189 -52.394 1.00 11.40 C ATOM 1173 CG ASP A 73 11.258 -21.109 -53.055 1.00 35.22 C ATOM 1174 OD1 ASP A 73 12.168 -21.597 -52.351 1.00 60.34 O ATOM 1175 OD2 ASP A 73 11.136 -21.343 -54.275 1.00 64.21 O ATOM 0 H ASP A 73 9.899 -21.442 -50.298 1.00 54.44 H new ATOM 0 HA ASP A 73 11.816 -19.527 -51.081 1.00 22.54 H new ATOM 0 HB2 ASP A 73 9.310 -20.722 -52.259 1.00 11.40 H new ATOM 0 HB3 ASP A 73 10.048 -19.345 -53.053 1.00 11.40 H new ATOM 1180 N VAL A 74 8.783 -18.357 -50.451 1.00 22.21 N ATOM 1181 CA VAL A 74 8.038 -17.142 -50.140 1.00 51.24 C ATOM 1182 C VAL A 74 8.600 -16.455 -48.901 1.00 71.30 C ATOM 1183 O VAL A 74 8.956 -15.277 -48.938 1.00 64.14 O ATOM 1184 CB VAL A 74 6.544 -17.441 -49.917 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.822 -16.201 -49.412 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.907 -17.955 -51.198 1.00 20.32 C ATOM 0 H VAL A 74 8.225 -19.211 -50.431 1.00 22.21 H new ATOM 0 HA VAL A 74 8.143 -16.478 -50.998 1.00 51.24 H new ATOM 0 HB VAL A 74 6.455 -18.218 -49.158 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.767 -16.431 -49.260 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.264 -15.882 -48.468 1.00 2.42 H new ATOM 0 HG13 VAL A 74 5.917 -15.401 -50.146 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.851 -18.161 -51.022 1.00 20.32 H new ATOM 0 HG22 VAL A 74 6.004 -17.202 -51.980 1.00 20.32 H new ATOM 0 HG23 VAL A 74 6.408 -18.871 -51.512 1.00 20.32 H new ATOM 1196 N ARG A 75 8.677 -17.200 -47.803 1.00 32.22 N ATOM 1197 CA ARG A 75 9.195 -16.663 -46.550 1.00 2.22 C ATOM 1198 C ARG A 75 10.618 -16.143 -46.728 1.00 43.01 C ATOM 1199 O ARG A 75 11.077 -15.290 -45.968 1.00 52.32 O ATOM 1200 CB ARG A 75 9.166 -17.736 -45.460 1.00 70.20 C ATOM 1201 CG ARG A 75 7.763 -18.197 -45.095 1.00 33.21 C ATOM 1202 CD ARG A 75 6.883 -17.027 -44.682 1.00 64.25 C ATOM 1203 NE ARG A 75 7.608 -16.058 -43.863 1.00 60.01 N ATOM 1204 CZ ARG A 75 7.225 -14.796 -43.706 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.130 -14.352 -44.309 1.00 43.22 N ATOM 1206 NH2 ARG A 75 7.937 -13.976 -42.945 1.00 22.23 N ATOM 0 H ARG A 75 8.387 -18.177 -47.756 1.00 32.22 H new ATOM 0 HA ARG A 75 8.558 -15.831 -46.249 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.747 -18.596 -45.793 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.656 -17.348 -44.567 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.314 -18.709 -45.946 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.816 -18.919 -44.280 1.00 33.21 H new ATOM 0 HD2 ARG A 75 6.497 -16.532 -45.573 1.00 64.25 H new ATOM 0 HD3 ARG A 75 6.022 -17.399 -44.126 1.00 64.25 H new ATOM 0 HE ARG A 75 8.455 -16.368 -43.386 1.00 60.01 H new ATOM 0 HH11 ARG A 75 5.580 -14.980 -44.895 1.00 43.22 H new ATOM 0 HH12 ARG A 75 5.838 -13.382 -44.187 1.00 43.22 H new ATOM 0 HH21 ARG A 75 8.779 -14.314 -42.480 1.00 22.23 H new ATOM 0 HH22 ARG A 75 7.642 -13.007 -42.825 1.00 22.23 H new ATOM 1220 N SER A 76 11.310 -16.662 -47.736 1.00 13.42 N ATOM 1221 CA SER A 76 12.682 -16.254 -48.013 1.00 72.25 C ATOM 1222 C SER A 76 12.713 -14.911 -48.738 1.00 24.11 C ATOM 1223 O SER A 76 13.749 -14.250 -48.796 1.00 72.30 O ATOM 1224 CB SER A 76 13.394 -17.316 -48.852 1.00 52.34 C ATOM 1225 OG SER A 76 14.496 -16.762 -49.549 1.00 11.12 O ATOM 0 H SER A 76 10.943 -17.367 -48.375 1.00 13.42 H new ATOM 0 HA SER A 76 13.202 -16.146 -47.061 1.00 72.25 H new ATOM 0 HB2 SER A 76 13.737 -18.124 -48.206 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.693 -17.753 -49.563 1.00 52.34 H new ATOM 0 HG SER A 76 14.935 -17.462 -50.076 1.00 11.12 H new ATOM 1231 N ASN A 77 11.571 -14.518 -49.290 1.00 61.11 N ATOM 1232 CA ASN A 77 11.467 -13.256 -50.013 1.00 63.22 C ATOM 1233 C ASN A 77 10.995 -12.136 -49.088 1.00 4.51 C ATOM 1234 O ASN A 77 10.542 -11.087 -49.547 1.00 30.21 O ATOM 1235 CB ASN A 77 10.503 -13.397 -51.193 1.00 34.15 C ATOM 1236 CG ASN A 77 11.160 -14.032 -52.403 1.00 2.31 C ATOM 1237 OD1 ASN A 77 12.194 -13.563 -52.879 1.00 62.33 O ATOM 1238 ND2 ASN A 77 10.562 -15.105 -52.906 1.00 63.33 N ATOM 0 H ASN A 77 10.704 -15.055 -49.251 1.00 61.11 H new ATOM 0 HA ASN A 77 12.457 -13.000 -50.390 1.00 63.22 H new ATOM 0 HB2 ASN A 77 9.647 -14.000 -50.889 1.00 34.15 H new ATOM 0 HB3 ASN A 77 10.120 -12.414 -51.465 1.00 34.15 H new ATOM 0 HD21 ASN A 77 10.958 -15.575 -53.720 1.00 63.33 H new ATOM 0 HD22 ASN A 77 9.706 -15.459 -52.479 1.00 63.33 H new ATOM 1245 N VAL A 78 11.104 -12.369 -47.784 1.00 54.35 N ATOM 1246 CA VAL A 78 10.691 -11.381 -46.795 1.00 25.14 C ATOM 1247 C VAL A 78 11.770 -10.323 -46.591 1.00 53.34 C ATOM 1248 O VAL A 78 12.956 -10.641 -46.499 1.00 13.31 O ATOM 1249 CB VAL A 78 10.373 -12.042 -45.440 1.00 24.53 C ATOM 1250 CG1 VAL A 78 10.002 -10.990 -44.407 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.257 -13.064 -45.597 1.00 61.01 C ATOM 0 H VAL A 78 11.475 -13.233 -47.388 1.00 54.35 H new ATOM 0 HA VAL A 78 9.789 -10.906 -47.180 1.00 25.14 H new ATOM 0 HB VAL A 78 11.265 -12.561 -45.089 1.00 24.53 H new ATOM 0 HG11 VAL A 78 9.781 -11.476 -43.457 1.00 61.22 H new ATOM 0 HG12 VAL A 78 10.835 -10.299 -44.276 1.00 61.22 H new ATOM 0 HG13 VAL A 78 9.124 -10.440 -44.747 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.044 -13.522 -44.631 1.00 61.01 H new ATOM 0 HG22 VAL A 78 8.360 -12.569 -45.969 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.566 -13.834 -46.303 1.00 61.01 H new ATOM 1261 N ASP A 79 11.351 -9.064 -46.519 1.00 75.02 N ATOM 1262 CA ASP A 79 12.281 -7.959 -46.324 1.00 32.13 C ATOM 1263 C ASP A 79 11.729 -6.955 -45.317 1.00 22.35 C ATOM 1264 O ASP A 79 10.641 -7.142 -44.773 1.00 11.20 O ATOM 1265 CB ASP A 79 12.563 -7.260 -47.656 1.00 14.11 C ATOM 1266 CG ASP A 79 12.940 -8.236 -48.753 1.00 70.21 C ATOM 1267 OD1 ASP A 79 14.066 -8.776 -48.704 1.00 12.03 O ATOM 1268 OD2 ASP A 79 12.112 -8.460 -49.659 1.00 63.45 O ATOM 0 H ASP A 79 10.373 -8.784 -46.593 1.00 75.02 H new ATOM 0 HA ASP A 79 13.213 -8.366 -45.931 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.681 -6.697 -47.962 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.370 -6.540 -47.521 1.00 14.11 H new ATOM 1273 N ALA A 80 12.487 -5.891 -45.071 1.00 44.44 N ATOM 1274 CA ALA A 80 12.073 -4.859 -44.130 1.00 1.03 C ATOM 1275 C ALA A 80 10.751 -4.228 -44.553 1.00 60.14 C ATOM 1276 O ALA A 80 9.756 -4.306 -43.832 1.00 3.35 O ATOM 1277 CB ALA A 80 13.152 -3.793 -44.007 1.00 43.13 C ATOM 0 H ALA A 80 13.391 -5.722 -45.511 1.00 44.44 H new ATOM 0 HA ALA A 80 11.927 -5.328 -43.157 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.829 -3.028 -43.301 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.075 -4.249 -43.651 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.325 -3.337 -44.982 1.00 43.13 H new ATOM 1283 N ALA A 81 10.747 -3.604 -45.726 1.00 21.32 N ATOM 1284 CA ALA A 81 9.546 -2.961 -46.246 1.00 55.31 C ATOM 1285 C ALA A 81 8.359 -3.917 -46.227 1.00 31.04 C ATOM 1286 O ALA A 81 7.323 -3.624 -45.630 1.00 33.41 O ATOM 1287 CB ALA A 81 9.790 -2.448 -47.657 1.00 13.35 C ATOM 0 H ALA A 81 11.562 -3.530 -46.335 1.00 21.32 H new ATOM 0 HA ALA A 81 9.309 -2.116 -45.600 1.00 55.31 H new ATOM 0 HB1 ALA A 81 8.885 -1.971 -48.032 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.604 -1.723 -47.645 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.056 -3.282 -48.306 1.00 13.35 H new ATOM 1293 N SER A 82 8.517 -5.062 -46.883 1.00 54.12 N ATOM 1294 CA SER A 82 7.455 -6.061 -46.944 1.00 14.13 C ATOM 1295 C SER A 82 6.975 -6.430 -45.544 1.00 30.51 C ATOM 1296 O SER A 82 5.777 -6.407 -45.261 1.00 1.33 O ATOM 1297 CB SER A 82 7.947 -7.313 -47.674 1.00 73.02 C ATOM 1298 OG SER A 82 7.414 -8.487 -47.086 1.00 11.21 O ATOM 0 H SER A 82 9.369 -5.321 -47.380 1.00 54.12 H new ATOM 0 HA SER A 82 6.617 -5.633 -47.495 1.00 14.13 H new ATOM 0 HB2 SER A 82 7.657 -7.264 -48.724 1.00 73.02 H new ATOM 0 HB3 SER A 82 9.036 -7.350 -47.646 1.00 73.02 H new ATOM 0 HG SER A 82 7.741 -9.273 -47.571 1.00 11.21 H new ATOM 1304 N ALA A 83 7.918 -6.769 -44.672 1.00 34.11 N ATOM 1305 CA ALA A 83 7.592 -7.140 -43.300 1.00 62.10 C ATOM 1306 C ALA A 83 6.701 -6.091 -42.644 1.00 53.55 C ATOM 1307 O ALA A 83 5.666 -6.419 -42.063 1.00 1.10 O ATOM 1308 CB ALA A 83 8.865 -7.334 -42.490 1.00 14.31 C ATOM 0 H ALA A 83 8.914 -6.795 -44.891 1.00 34.11 H new ATOM 0 HA ALA A 83 7.042 -8.081 -43.325 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.607 -7.611 -41.468 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.465 -8.125 -42.940 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.436 -6.406 -42.482 1.00 14.31 H new ATOM 1314 N ARG A 84 7.108 -4.830 -42.741 1.00 14.24 N ATOM 1315 CA ARG A 84 6.347 -3.734 -42.155 1.00 42.23 C ATOM 1316 C ARG A 84 4.966 -3.628 -42.796 1.00 55.53 C ATOM 1317 O ARG A 84 3.987 -3.290 -42.132 1.00 43.13 O ATOM 1318 CB ARG A 84 7.101 -2.414 -42.321 1.00 72.41 C ATOM 1319 CG ARG A 84 8.248 -2.239 -41.339 1.00 43.35 C ATOM 1320 CD ARG A 84 8.941 -0.899 -41.524 1.00 30.14 C ATOM 1321 NE ARG A 84 9.651 -0.821 -42.797 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.503 0.150 -43.106 1.00 23.24 C ATOM 1323 NH1 ARG A 84 10.750 1.120 -42.237 1.00 30.24 N ATOM 1324 NH2 ARG A 84 11.112 0.152 -44.285 1.00 14.35 N ATOM 0 H ARG A 84 7.961 -4.542 -43.220 1.00 14.24 H new ATOM 0 HA ARG A 84 6.221 -3.940 -41.092 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.491 -2.354 -43.337 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.401 -1.588 -42.199 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.870 -2.317 -40.319 1.00 43.35 H new ATOM 0 HG3 ARG A 84 8.970 -3.045 -41.474 1.00 43.35 H new ATOM 0 HD2 ARG A 84 8.203 -0.099 -41.471 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.644 -0.739 -40.707 1.00 30.14 H new ATOM 0 HE ARG A 84 9.484 -1.553 -43.488 1.00 24.42 H new ATOM 0 HH11 ARG A 84 10.285 1.122 -41.329 1.00 30.24 H new ATOM 0 HH12 ARG A 84 11.405 1.865 -42.476 1.00 30.24 H new ATOM 0 HH21 ARG A 84 10.926 -0.593 -44.956 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.766 0.899 -44.520 1.00 14.35 H new ATOM 1338 N GLU A 85 4.897 -3.916 -44.092 1.00 51.11 N ATOM 1339 CA GLU A 85 3.637 -3.850 -44.824 1.00 55.12 C ATOM 1340 C GLU A 85 2.697 -4.972 -44.389 1.00 1.33 C ATOM 1341 O GLU A 85 1.492 -4.767 -44.244 1.00 32.23 O ATOM 1342 CB GLU A 85 3.890 -3.937 -46.329 1.00 75.34 C ATOM 1343 CG GLU A 85 4.737 -2.798 -46.871 1.00 45.21 C ATOM 1344 CD GLU A 85 3.900 -1.628 -47.354 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.513 -1.625 -48.540 1.00 3.32 O ATOM 1346 OE2 GLU A 85 3.633 -0.716 -46.543 1.00 42.31 O ATOM 0 H GLU A 85 5.699 -4.197 -44.657 1.00 51.11 H new ATOM 0 HA GLU A 85 3.164 -2.894 -44.598 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.383 -4.883 -46.552 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.933 -3.946 -46.850 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.419 -2.455 -46.093 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.350 -3.166 -47.694 1.00 45.21 H new ATOM 1353 N LEU A 86 3.259 -6.159 -44.183 1.00 22.40 N ATOM 1354 CA LEU A 86 2.473 -7.315 -43.766 1.00 21.33 C ATOM 1355 C LEU A 86 1.931 -7.123 -42.353 1.00 20.32 C ATOM 1356 O LEU A 86 0.772 -7.434 -42.075 1.00 2.34 O ATOM 1357 CB LEU A 86 3.323 -8.585 -43.831 1.00 74.11 C ATOM 1358 CG LEU A 86 3.588 -9.145 -45.229 1.00 10.31 C ATOM 1359 CD1 LEU A 86 4.868 -9.963 -45.242 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.409 -9.987 -45.698 1.00 0.22 C ATOM 0 H LEU A 86 4.255 -6.346 -44.298 1.00 22.40 H new ATOM 0 HA LEU A 86 1.629 -7.415 -44.449 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.282 -8.381 -43.355 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.832 -9.357 -43.239 1.00 74.11 H new ATOM 0 HG LEU A 86 3.709 -8.309 -45.918 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.040 -10.353 -46.245 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.707 -9.331 -44.950 1.00 65.15 H new ATOM 0 HD13 LEU A 86 4.777 -10.792 -44.541 1.00 65.15 H new ATOM 0 HD21 LEU A 86 2.614 -10.378 -46.695 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.257 -10.816 -45.007 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.511 -9.370 -45.728 1.00 0.22 H new ATOM 1372 N MET A 87 2.775 -6.609 -41.466 1.00 55.22 N ATOM 1373 CA MET A 87 2.379 -6.372 -40.082 1.00 3.41 C ATOM 1374 C MET A 87 1.422 -5.188 -39.985 1.00 3.31 C ATOM 1375 O MET A 87 0.522 -5.172 -39.145 1.00 33.02 O ATOM 1376 CB MET A 87 3.612 -6.119 -39.212 1.00 13.51 C ATOM 1377 CG MET A 87 4.584 -7.287 -39.182 1.00 72.40 C ATOM 1378 SD MET A 87 3.858 -8.776 -38.470 1.00 23.01 S ATOM 1379 CE MET A 87 3.220 -9.577 -39.939 1.00 34.44 C ATOM 0 H MET A 87 3.738 -6.348 -41.680 1.00 55.22 H new ATOM 0 HA MET A 87 1.865 -7.262 -39.720 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.131 -5.234 -39.580 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.290 -5.899 -38.194 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.921 -7.501 -40.196 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.466 -7.006 -38.606 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.380 -10.653 -39.866 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.153 -9.374 -40.030 1.00 34.44 H new ATOM 0 HE3 MET A 87 3.738 -9.192 -40.817 1.00 34.44 H new ATOM 1389 N LEU A 88 1.622 -4.199 -40.848 1.00 0.04 N ATOM 1390 CA LEU A 88 0.777 -3.010 -40.860 1.00 32.32 C ATOM 1391 C LEU A 88 -0.641 -3.355 -41.305 1.00 31.41 C ATOM 1392 O LEU A 88 -1.605 -3.115 -40.579 1.00 51.04 O ATOM 1393 CB LEU A 88 1.370 -1.948 -41.786 1.00 71.42 C ATOM 1394 CG LEU A 88 0.650 -0.598 -41.808 1.00 15.31 C ATOM 1395 CD1 LEU A 88 -0.577 -0.662 -42.703 1.00 0.02 C ATOM 1396 CD2 LEU A 88 0.263 -0.178 -40.397 1.00 33.15 C ATOM 0 H LEU A 88 2.363 -4.197 -41.549 1.00 0.04 H new ATOM 0 HA LEU A 88 0.734 -2.615 -39.845 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.407 -1.779 -41.495 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.384 -2.346 -42.801 1.00 71.42 H new ATOM 0 HG LEU A 88 1.331 0.150 -42.214 1.00 15.31 H new ATOM 0 HD11 LEU A 88 -1.076 0.307 -42.706 1.00 0.02 H new ATOM 0 HD12 LEU A 88 -0.274 -0.917 -43.718 1.00 0.02 H new ATOM 0 HD13 LEU A 88 -1.262 -1.422 -42.327 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -0.248 0.784 -40.431 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -0.401 -0.926 -39.964 1.00 33.15 H new ATOM 0 HD23 LEU A 88 1.160 -0.091 -39.784 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.759 -3.921 -42.501 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.058 -4.303 -43.040 1.00 72.31 C ATOM 1410 C ALA A 89 -2.626 -5.510 -42.302 1.00 53.31 C ATOM 1411 O ALA A 89 -3.843 -5.666 -42.193 1.00 61.11 O ATOM 1412 CB ALA A 89 -1.946 -4.598 -44.529 1.00 53.34 C ATOM 0 H ALA A 89 0.029 -4.125 -43.115 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.743 -3.467 -42.896 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -2.924 -4.882 -44.918 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.592 -3.709 -45.051 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.242 -5.415 -44.686 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.739 -6.361 -41.797 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.153 -7.555 -41.070 1.00 12.45 C ATOM 1420 C GLN A 90 -1.392 -7.683 -39.755 1.00 41.24 C ATOM 1421 O GLN A 90 -0.489 -8.507 -39.611 1.00 10.03 O ATOM 1422 CB GLN A 90 -1.930 -8.802 -41.927 1.00 3.41 C ATOM 1423 CG GLN A 90 -2.401 -8.647 -43.364 1.00 23.53 C ATOM 1424 CD GLN A 90 -2.852 -9.958 -43.975 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -3.896 -10.026 -44.625 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -2.068 -11.010 -43.769 1.00 33.14 N ATOM 0 H GLN A 90 -0.729 -6.246 -41.878 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.216 -7.463 -40.845 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -0.868 -9.048 -41.926 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -2.452 -9.643 -41.471 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -3.224 -7.933 -43.398 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -1.592 -8.230 -43.964 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -1.212 -10.909 -43.224 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -2.322 -11.919 -44.156 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.763 -6.848 -38.773 1.00 51.14 N ATOM 1436 CA PRO A 91 -1.127 -6.849 -37.451 1.00 32.24 C ATOM 1437 C PRO A 91 -1.462 -8.102 -36.648 1.00 54.10 C ATOM 1438 O PRO A 91 -0.885 -8.343 -35.588 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.713 -5.608 -36.775 1.00 71.34 C ATOM 1440 CG PRO A 91 -3.021 -5.389 -37.453 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.832 -5.841 -38.875 1.00 34.13 C ATOM 0 HA PRO A 91 -0.039 -6.839 -37.521 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.844 -5.765 -35.704 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -1.057 -4.746 -36.893 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.813 -5.957 -36.965 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -3.310 -4.339 -37.413 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.747 -6.267 -39.286 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.545 -5.014 -39.525 1.00 34.13 H new ATOM 1449 N SER A 92 -2.397 -8.895 -37.160 1.00 20.51 N ATOM 1450 CA SER A 92 -2.811 -10.122 -36.488 1.00 11.34 C ATOM 1451 C SER A 92 -1.632 -11.078 -36.328 1.00 43.02 C ATOM 1452 O SER A 92 -1.619 -11.918 -35.429 1.00 60.53 O ATOM 1453 CB SER A 92 -3.933 -10.805 -37.273 1.00 1.20 C ATOM 1454 OG SER A 92 -3.409 -11.642 -38.289 1.00 33.02 O ATOM 0 H SER A 92 -2.883 -8.710 -38.038 1.00 20.51 H new ATOM 0 HA SER A 92 -3.180 -9.858 -35.497 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.549 -11.394 -36.594 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.581 -10.050 -37.718 1.00 1.20 H new ATOM 0 HG SER A 92 -4.146 -12.068 -38.775 1.00 33.02 H new ATOM 1460 N MET A 93 -0.645 -10.943 -37.208 1.00 64.00 N ATOM 1461 CA MET A 93 0.538 -11.793 -37.164 1.00 11.03 C ATOM 1462 C MET A 93 1.527 -11.295 -36.115 1.00 22.03 C ATOM 1463 O MET A 93 2.402 -12.038 -35.669 1.00 62.52 O ATOM 1464 CB MET A 93 1.213 -11.836 -38.537 1.00 21.24 C ATOM 1465 CG MET A 93 0.566 -12.818 -39.501 1.00 71.33 C ATOM 1466 SD MET A 93 0.569 -12.224 -41.203 1.00 63.23 S ATOM 1467 CE MET A 93 -0.555 -13.390 -41.970 1.00 50.03 C ATOM 0 H MET A 93 -0.642 -10.253 -37.960 1.00 64.00 H new ATOM 0 HA MET A 93 0.221 -12.799 -36.891 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.189 -10.839 -38.976 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.262 -12.103 -38.409 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.094 -13.771 -39.452 1.00 71.33 H new ATOM 0 HG3 MET A 93 -0.461 -13.006 -39.188 1.00 71.33 H new ATOM 0 HE1 MET A 93 -0.727 -13.101 -43.007 1.00 50.03 H new ATOM 0 HE2 MET A 93 -0.120 -14.389 -41.939 1.00 50.03 H new ATOM 0 HE3 MET A 93 -1.503 -13.390 -41.431 1.00 50.03 H new ATOM 1477 N VAL A 94 1.383 -10.033 -35.723 1.00 52.44 N ATOM 1478 CA VAL A 94 2.263 -9.436 -34.726 1.00 10.35 C ATOM 1479 C VAL A 94 2.341 -10.302 -33.473 1.00 43.41 C ATOM 1480 O VAL A 94 1.326 -10.804 -32.989 1.00 40.44 O ATOM 1481 CB VAL A 94 1.789 -8.024 -34.333 1.00 33.42 C ATOM 1482 CG1 VAL A 94 2.693 -7.438 -33.258 1.00 75.05 C ATOM 1483 CG2 VAL A 94 1.742 -7.118 -35.554 1.00 35.21 C ATOM 0 H VAL A 94 0.664 -9.404 -36.081 1.00 52.44 H new ATOM 0 HA VAL A 94 3.253 -9.366 -35.178 1.00 10.35 H new ATOM 0 HB VAL A 94 0.781 -8.098 -33.926 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.343 -6.440 -32.993 1.00 75.05 H new ATOM 0 HG12 VAL A 94 2.670 -8.077 -32.375 1.00 75.05 H new ATOM 0 HG13 VAL A 94 3.714 -7.376 -33.635 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.405 -6.125 -35.257 1.00 35.21 H new ATOM 0 HG22 VAL A 94 2.737 -7.047 -35.993 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.050 -7.532 -36.288 1.00 35.21 H new ATOM 1493 N LYS A 95 3.551 -10.473 -32.953 1.00 21.24 N ATOM 1494 CA LYS A 95 3.762 -11.276 -31.754 1.00 1.24 C ATOM 1495 C LYS A 95 2.837 -10.828 -30.629 1.00 13.35 C ATOM 1496 O LYS A 95 2.264 -9.740 -30.678 1.00 52.22 O ATOM 1497 CB LYS A 95 5.221 -11.177 -31.301 1.00 62.41 C ATOM 1498 CG LYS A 95 5.748 -12.452 -30.665 1.00 12.43 C ATOM 1499 CD LYS A 95 5.763 -13.603 -31.657 1.00 23.31 C ATOM 1500 CE LYS A 95 6.516 -14.805 -31.104 1.00 33.13 C ATOM 1501 NZ LYS A 95 7.967 -14.752 -31.438 1.00 64.41 N ATOM 0 H LYS A 95 4.401 -10.066 -33.343 1.00 21.24 H new ATOM 0 HA LYS A 95 3.532 -12.314 -31.996 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.843 -10.925 -32.160 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.316 -10.359 -30.587 1.00 62.41 H new ATOM 0 HG2 LYS A 95 6.756 -12.282 -30.288 1.00 12.43 H new ATOM 0 HG3 LYS A 95 5.128 -12.716 -29.809 1.00 12.43 H new ATOM 0 HD2 LYS A 95 4.740 -13.892 -31.896 1.00 23.31 H new ATOM 0 HD3 LYS A 95 6.228 -13.277 -32.587 1.00 23.31 H new ATOM 0 HE2 LYS A 95 6.394 -14.844 -30.022 1.00 33.13 H new ATOM 0 HE3 LYS A 95 6.084 -15.721 -31.507 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 8.177 -15.445 -32.184 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 8.212 -13.798 -31.772 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 8.527 -14.976 -30.591 1.00 64.41 H new ATOM 1515 N ARG A 96 2.695 -11.674 -29.614 1.00 23.43 N ATOM 1516 CA ARG A 96 1.839 -11.365 -28.474 1.00 52.42 C ATOM 1517 C ARG A 96 1.915 -12.467 -27.422 1.00 73.24 C ATOM 1518 O ARG A 96 2.306 -13.600 -27.701 1.00 25.00 O ATOM 1519 CB ARG A 96 0.391 -11.182 -28.933 1.00 2.41 C ATOM 1520 CG ARG A 96 0.009 -12.063 -30.111 1.00 32.35 C ATOM 1521 CD ARG A 96 -1.452 -12.477 -30.046 1.00 1.31 C ATOM 1522 NE ARG A 96 -1.686 -13.764 -30.696 1.00 4.33 N ATOM 1523 CZ ARG A 96 -1.664 -13.937 -32.013 1.00 22.53 C ATOM 1524 NH1 ARG A 96 -1.421 -12.910 -32.816 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -1.887 -15.139 -32.529 1.00 31.42 N ATOM 0 H ARG A 96 3.162 -12.579 -29.557 1.00 23.43 H new ATOM 0 HA ARG A 96 2.192 -10.436 -28.027 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.276 -11.397 -28.098 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.234 -10.138 -29.205 1.00 2.41 H new ATOM 0 HG2 ARG A 96 0.196 -11.528 -31.042 1.00 32.35 H new ATOM 0 HG3 ARG A 96 0.640 -12.952 -30.122 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -1.766 -12.535 -29.004 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -2.067 -11.713 -30.522 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.877 -14.574 -30.106 1.00 4.33 H new ATOM 0 HH11 ARG A 96 -1.250 -11.984 -32.423 1.00 21.10 H new ATOM 0 HH12 ARG A 96 -1.405 -13.046 -33.827 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -2.075 -15.931 -31.914 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -1.870 -15.271 -33.540 1.00 31.42 H new ATOM 1539 N PRO A 97 1.534 -12.128 -26.182 1.00 5.45 N ATOM 1540 CA PRO A 97 1.066 -10.782 -25.837 1.00 55.21 C ATOM 1541 C PRO A 97 2.189 -9.751 -25.879 1.00 1.12 C ATOM 1542 O PRO A 97 3.342 -10.060 -25.577 1.00 11.34 O ATOM 1543 CB PRO A 97 0.542 -10.943 -24.408 1.00 63.23 C ATOM 1544 CG PRO A 97 1.291 -12.108 -23.858 1.00 53.40 C ATOM 1545 CD PRO A 97 1.529 -13.033 -25.020 1.00 14.11 C ATOM 0 HA PRO A 97 0.318 -10.418 -26.541 1.00 55.21 H new ATOM 0 HB2 PRO A 97 0.720 -10.044 -23.818 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.533 -11.123 -24.399 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.234 -11.791 -23.412 1.00 53.40 H new ATOM 0 HG3 PRO A 97 0.719 -12.605 -23.074 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.475 -13.566 -24.922 1.00 14.11 H new ATOM 0 HD3 PRO A 97 0.745 -13.786 -25.101 1.00 14.11 H new ATOM 1553 N VAL A 98 1.845 -8.522 -26.254 1.00 75.11 N ATOM 1554 CA VAL A 98 2.824 -7.445 -26.333 1.00 22.51 C ATOM 1555 C VAL A 98 2.727 -6.524 -25.122 1.00 20.24 C ATOM 1556 O VAL A 98 1.633 -6.144 -24.702 1.00 74.34 O ATOM 1557 CB VAL A 98 2.637 -6.610 -27.614 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.645 -5.473 -27.663 1.00 65.22 C ATOM 1559 CG2 VAL A 98 2.758 -7.493 -28.848 1.00 73.13 C ATOM 0 H VAL A 98 0.896 -8.248 -26.508 1.00 75.11 H new ATOM 0 HA VAL A 98 3.808 -7.913 -26.353 1.00 22.51 H new ATOM 0 HB VAL A 98 1.637 -6.177 -27.601 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.497 -4.895 -28.575 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.506 -4.826 -26.797 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.655 -5.882 -27.653 1.00 65.22 H new ATOM 0 HG21 VAL A 98 2.623 -6.887 -29.744 1.00 73.13 H new ATOM 0 HG22 VAL A 98 3.744 -7.956 -28.868 1.00 73.13 H new ATOM 0 HG23 VAL A 98 1.993 -8.269 -28.817 1.00 73.13 H new ATOM 1569 N LEU A 99 3.879 -6.169 -24.563 1.00 44.10 N ATOM 1570 CA LEU A 99 3.925 -5.291 -23.399 1.00 22.24 C ATOM 1571 C LEU A 99 4.657 -3.993 -23.724 1.00 30.44 C ATOM 1572 O LEU A 99 5.797 -4.011 -24.184 1.00 63.23 O ATOM 1573 CB LEU A 99 4.613 -5.998 -22.229 1.00 31.22 C ATOM 1574 CG LEU A 99 3.748 -6.979 -21.437 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.331 -8.151 -22.312 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.493 -7.470 -20.205 1.00 2.44 C ATOM 0 H LEU A 99 4.793 -6.475 -24.897 1.00 44.10 H new ATOM 0 HA LEU A 99 2.900 -5.048 -23.118 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.479 -6.537 -22.614 1.00 31.22 H new ATOM 0 HB3 LEU A 99 4.989 -5.240 -21.542 1.00 31.22 H new ATOM 0 HG LEU A 99 2.848 -6.458 -21.110 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.716 -8.838 -21.731 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.759 -7.784 -23.164 1.00 64.20 H new ATOM 0 HD13 LEU A 99 4.219 -8.672 -22.669 1.00 64.20 H new ATOM 0 HD21 LEU A 99 3.863 -8.167 -19.653 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.410 -7.974 -20.511 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.741 -6.621 -19.567 1.00 2.44 H new ATOM 1588 N GLU A 100 3.993 -2.867 -23.480 1.00 64.22 N ATOM 1589 CA GLU A 100 4.581 -1.560 -23.746 1.00 43.31 C ATOM 1590 C GLU A 100 4.872 -0.819 -22.443 1.00 30.33 C ATOM 1591 O GLU A 100 3.980 -0.618 -21.619 1.00 5.33 O ATOM 1592 CB GLU A 100 3.647 -0.724 -24.624 1.00 12.53 C ATOM 1593 CG GLU A 100 4.256 0.592 -25.079 1.00 51.33 C ATOM 1594 CD GLU A 100 4.072 1.702 -24.062 1.00 23.35 C ATOM 1595 OE1 GLU A 100 3.082 1.652 -23.302 1.00 3.32 O ATOM 1596 OE2 GLU A 100 4.918 2.620 -24.027 1.00 13.23 O ATOM 0 H GLU A 100 3.048 -2.834 -23.099 1.00 64.22 H new ATOM 0 HA GLU A 100 5.522 -1.714 -24.274 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.367 -1.308 -25.501 1.00 12.53 H new ATOM 0 HB3 GLU A 100 2.730 -0.519 -24.072 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.320 0.450 -25.268 1.00 51.33 H new ATOM 0 HG3 GLU A 100 3.802 0.891 -26.024 1.00 51.33 H new ATOM 1603 N ARG A 101 6.125 -0.416 -22.266 1.00 4.25 N ATOM 1604 CA ARG A 101 6.535 0.301 -21.064 1.00 32.41 C ATOM 1605 C ARG A 101 7.528 1.408 -21.403 1.00 74.21 C ATOM 1606 O ARG A 101 8.659 1.139 -21.809 1.00 12.55 O ATOM 1607 CB ARG A 101 7.158 -0.667 -20.055 1.00 44.21 C ATOM 1608 CG ARG A 101 7.300 -0.082 -18.660 1.00 1.21 C ATOM 1609 CD ARG A 101 8.272 -0.890 -17.814 1.00 54.35 C ATOM 1610 NE ARG A 101 9.661 -0.655 -18.199 1.00 52.24 N ATOM 1611 CZ ARG A 101 10.700 -1.005 -17.450 1.00 25.22 C ATOM 1612 NH1 ARG A 101 10.509 -1.603 -16.283 1.00 24.34 N ATOM 1613 NH2 ARG A 101 11.935 -0.758 -17.869 1.00 11.44 N ATOM 0 H ARG A 101 6.875 -0.573 -22.939 1.00 4.25 H new ATOM 0 HA ARG A 101 5.648 0.755 -20.622 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.546 -1.567 -20.002 1.00 44.21 H new ATOM 0 HB3 ARG A 101 8.141 -0.971 -20.415 1.00 44.21 H new ATOM 0 HG2 ARG A 101 7.647 0.949 -18.730 1.00 1.21 H new ATOM 0 HG3 ARG A 101 6.325 -0.058 -18.173 1.00 1.21 H new ATOM 0 HD2 ARG A 101 8.139 -0.632 -16.763 1.00 54.35 H new ATOM 0 HD3 ARG A 101 8.043 -1.951 -17.913 1.00 54.35 H new ATOM 0 HE ARG A 101 9.843 -0.197 -19.092 1.00 52.24 H new ATOM 0 HH11 ARG A 101 9.562 -1.796 -15.958 1.00 24.34 H new ATOM 0 HH12 ARG A 101 11.309 -1.871 -15.710 1.00 24.34 H new ATOM 0 HH21 ARG A 101 12.087 -0.299 -18.767 1.00 11.44 H new ATOM 0 HH22 ARG A 101 12.732 -1.027 -17.293 1.00 11.44 H new ATOM 1627 N ASP A 102 7.097 2.653 -21.236 1.00 73.03 N ATOM 1628 CA ASP A 102 7.947 3.802 -21.524 1.00 63.23 C ATOM 1629 C ASP A 102 8.475 3.743 -22.954 1.00 24.24 C ATOM 1630 O ASP A 102 9.548 4.264 -23.253 1.00 10.42 O ATOM 1631 CB ASP A 102 9.116 3.859 -20.538 1.00 41.13 C ATOM 1632 CG ASP A 102 9.673 5.259 -20.381 1.00 72.41 C ATOM 1633 OD1 ASP A 102 8.941 6.227 -20.678 1.00 22.03 O ATOM 1634 OD2 ASP A 102 10.841 5.389 -19.959 1.00 51.21 O ATOM 0 H ASP A 102 6.163 2.893 -20.902 1.00 73.03 H new ATOM 0 HA ASP A 102 7.345 4.704 -21.415 1.00 63.23 H new ATOM 0 HB2 ASP A 102 8.786 3.491 -19.566 1.00 41.13 H new ATOM 0 HB3 ASP A 102 9.908 3.192 -20.879 1.00 41.13 H new ATOM 1639 N GLY A 103 7.711 3.103 -23.835 1.00 2.43 N ATOM 1640 CA GLY A 103 8.119 2.987 -25.223 1.00 31.54 C ATOM 1641 C GLY A 103 8.676 1.616 -25.551 1.00 30.50 C ATOM 1642 O GLY A 103 8.369 1.046 -26.598 1.00 10.41 O ATOM 0 H GLY A 103 6.818 2.663 -23.612 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.265 3.192 -25.868 1.00 31.54 H new ATOM 0 HA3 GLY A 103 8.873 3.744 -25.441 1.00 31.54 H new ATOM 1646 N LYS A 104 9.499 1.083 -24.654 1.00 25.14 N ATOM 1647 CA LYS A 104 10.102 -0.229 -24.851 1.00 25.34 C ATOM 1648 C LYS A 104 9.029 -1.307 -24.974 1.00 14.23 C ATOM 1649 O LYS A 104 8.132 -1.404 -24.136 1.00 31.24 O ATOM 1650 CB LYS A 104 11.043 -0.561 -23.691 1.00 11.12 C ATOM 1651 CG LYS A 104 12.139 0.469 -23.484 1.00 33.24 C ATOM 1652 CD LYS A 104 13.084 0.059 -22.368 1.00 41.15 C ATOM 1653 CE LYS A 104 14.353 0.899 -22.376 1.00 4.32 C ATOM 1654 NZ LYS A 104 15.382 0.339 -23.294 1.00 32.45 N ATOM 0 H LYS A 104 9.764 1.541 -23.782 1.00 25.14 H new ATOM 0 HA LYS A 104 10.675 -0.203 -25.778 1.00 25.34 H new ATOM 0 HB2 LYS A 104 10.460 -0.648 -22.774 1.00 11.12 H new ATOM 0 HB3 LYS A 104 11.500 -1.534 -23.872 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.700 0.595 -24.410 1.00 33.24 H new ATOM 0 HG3 LYS A 104 11.692 1.435 -23.248 1.00 33.24 H new ATOM 0 HD2 LYS A 104 12.582 0.166 -21.407 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.343 -0.994 -22.477 1.00 41.15 H new ATOM 0 HE2 LYS A 104 14.112 1.918 -22.679 1.00 4.32 H new ATOM 0 HE3 LYS A 104 14.759 0.954 -21.366 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 16.231 0.939 -23.271 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 15.631 -0.624 -22.991 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 15.004 0.310 -24.263 1.00 32.45 H new ATOM 1668 N LEU A 105 9.127 -2.117 -26.023 1.00 31.53 N ATOM 1669 CA LEU A 105 8.166 -3.190 -26.254 1.00 20.33 C ATOM 1670 C LEU A 105 8.762 -4.544 -25.883 1.00 75.31 C ATOM 1671 O LEU A 105 9.933 -4.812 -26.149 1.00 23.42 O ATOM 1672 CB LEU A 105 7.724 -3.199 -27.718 1.00 32.41 C ATOM 1673 CG LEU A 105 6.273 -3.605 -27.980 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.317 -2.578 -27.394 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.028 -3.775 -29.472 1.00 22.22 C ATOM 0 H LEU A 105 9.862 -2.051 -26.727 1.00 31.53 H new ATOM 0 HA LEU A 105 7.298 -3.010 -25.620 1.00 20.33 H new ATOM 0 HB2 LEU A 105 7.881 -2.202 -28.130 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.375 -3.878 -28.269 1.00 32.41 H new ATOM 0 HG LEU A 105 6.090 -4.562 -27.491 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.289 -2.884 -27.590 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.475 -2.506 -26.318 1.00 35.41 H new ATOM 0 HD13 LEU A 105 5.500 -1.607 -27.853 1.00 35.41 H new ATOM 0 HD21 LEU A 105 4.990 -4.064 -29.640 1.00 22.22 H new ATOM 0 HD22 LEU A 105 6.230 -2.834 -29.983 1.00 22.22 H new ATOM 0 HD23 LEU A 105 6.688 -4.549 -29.863 1.00 22.22 H new ATOM 1687 N MET A 106 7.947 -5.394 -25.269 1.00 74.33 N ATOM 1688 CA MET A 106 8.393 -6.723 -24.864 1.00 20.31 C ATOM 1689 C MET A 106 7.387 -7.788 -25.293 1.00 43.33 C ATOM 1690 O MET A 106 6.210 -7.496 -25.502 1.00 3.02 O ATOM 1691 CB MET A 106 8.594 -6.777 -23.349 1.00 44.33 C ATOM 1692 CG MET A 106 9.823 -6.020 -22.872 1.00 71.01 C ATOM 1693 SD MET A 106 10.314 -6.477 -21.199 1.00 50.21 S ATOM 1694 CE MET A 106 11.777 -7.457 -21.530 1.00 61.54 C ATOM 0 H MET A 106 6.975 -5.187 -25.041 1.00 74.33 H new ATOM 0 HA MET A 106 9.344 -6.926 -25.357 1.00 20.31 H new ATOM 0 HB2 MET A 106 7.711 -6.366 -22.859 1.00 44.33 H new ATOM 0 HB3 MET A 106 8.676 -7.819 -23.038 1.00 44.33 H new ATOM 0 HG2 MET A 106 10.651 -6.212 -23.555 1.00 71.01 H new ATOM 0 HG3 MET A 106 9.622 -4.949 -22.908 1.00 71.01 H new ATOM 0 HE1 MET A 106 12.197 -7.813 -20.589 1.00 61.54 H new ATOM 0 HE2 MET A 106 11.510 -8.310 -22.154 1.00 61.54 H new ATOM 0 HE3 MET A 106 12.515 -6.845 -22.049 1.00 61.54 H new ATOM 1704 N VAL A 107 7.861 -9.024 -25.423 1.00 75.01 N ATOM 1705 CA VAL A 107 7.004 -10.131 -25.826 1.00 61.12 C ATOM 1706 C VAL A 107 6.659 -11.021 -24.638 1.00 44.11 C ATOM 1707 O VAL A 107 7.474 -11.213 -23.736 1.00 61.33 O ATOM 1708 CB VAL A 107 7.671 -10.989 -26.919 1.00 11.11 C ATOM 1709 CG1 VAL A 107 6.694 -12.022 -27.458 1.00 22.41 C ATOM 1710 CG2 VAL A 107 8.199 -10.106 -28.039 1.00 1.13 C ATOM 0 H VAL A 107 8.833 -9.282 -25.255 1.00 75.01 H new ATOM 0 HA VAL A 107 6.089 -9.693 -26.225 1.00 61.12 H new ATOM 0 HB VAL A 107 8.514 -11.519 -26.477 1.00 11.11 H new ATOM 0 HG11 VAL A 107 7.183 -12.618 -28.229 1.00 22.41 H new ATOM 0 HG12 VAL A 107 6.369 -12.674 -26.647 1.00 22.41 H new ATOM 0 HG13 VAL A 107 5.828 -11.516 -27.886 1.00 22.41 H new ATOM 0 HG21 VAL A 107 8.667 -10.728 -28.802 1.00 1.13 H new ATOM 0 HG22 VAL A 107 7.374 -9.547 -28.481 1.00 1.13 H new ATOM 0 HG23 VAL A 107 8.935 -9.410 -27.637 1.00 1.13 H new ATOM 1720 N GLY A 108 5.445 -11.563 -24.642 1.00 3.25 N ATOM 1721 CA GLY A 108 5.014 -12.427 -23.559 1.00 34.24 C ATOM 1722 C GLY A 108 5.858 -13.681 -23.446 1.00 63.12 C ATOM 1723 O GLY A 108 6.741 -13.920 -24.270 1.00 74.34 O ATOM 0 H GLY A 108 4.752 -11.419 -25.376 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.059 -11.877 -22.619 1.00 34.24 H new ATOM 0 HA3 GLY A 108 3.972 -12.707 -23.714 1.00 34.24 H new ATOM 1727 N PHE A 109 5.588 -14.483 -22.422 1.00 65.53 N ATOM 1728 CA PHE A 109 6.332 -15.718 -22.202 1.00 34.22 C ATOM 1729 C PHE A 109 5.429 -16.802 -21.620 1.00 13.12 C ATOM 1730 O PHE A 109 4.409 -16.507 -20.995 1.00 33.42 O ATOM 1731 CB PHE A 109 7.514 -15.467 -21.264 1.00 43.33 C ATOM 1732 CG PHE A 109 8.701 -14.851 -21.947 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.343 -15.512 -22.982 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.177 -13.610 -21.553 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.435 -14.947 -23.613 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.268 -13.040 -22.181 1.00 30.44 C ATOM 1737 CZ PHE A 109 10.899 -13.710 -23.211 1.00 13.51 C ATOM 0 H PHE A 109 4.860 -14.300 -21.731 1.00 65.53 H new ATOM 0 HA PHE A 109 6.708 -16.061 -23.166 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.192 -14.813 -20.453 1.00 43.33 H new ATOM 0 HB3 PHE A 109 7.815 -16.412 -20.811 1.00 43.33 H new ATOM 0 HD1 PHE A 109 8.986 -16.480 -23.299 1.00 74.21 H new ATOM 0 HD2 PHE A 109 8.690 -13.083 -20.746 1.00 64.54 H new ATOM 0 HE1 PHE A 109 10.925 -15.472 -24.420 1.00 22.11 H new ATOM 0 HE2 PHE A 109 10.627 -12.071 -21.867 1.00 30.44 H new ATOM 0 HZ PHE A 109 11.754 -13.267 -23.701 1.00 13.51 H new ATOM 1747 N LYS A 110 5.809 -18.058 -21.830 1.00 53.10 N ATOM 1748 CA LYS A 110 5.035 -19.186 -21.327 1.00 31.01 C ATOM 1749 C LYS A 110 4.749 -19.030 -19.836 1.00 43.41 C ATOM 1750 O LYS A 110 5.415 -18.273 -19.129 1.00 73.41 O ATOM 1751 CB LYS A 110 5.784 -20.497 -21.578 1.00 1.21 C ATOM 1752 CG LYS A 110 5.492 -21.114 -22.935 1.00 30.45 C ATOM 1753 CD LYS A 110 6.473 -22.227 -23.265 1.00 25.15 C ATOM 1754 CE LYS A 110 6.294 -23.419 -22.337 1.00 71.12 C ATOM 1755 NZ LYS A 110 7.085 -24.597 -22.790 1.00 33.33 N ATOM 0 H LYS A 110 6.649 -18.320 -22.346 1.00 53.10 H new ATOM 0 HA LYS A 110 4.085 -19.208 -21.861 1.00 31.01 H new ATOM 0 HB2 LYS A 110 6.855 -20.315 -21.494 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.520 -21.212 -20.799 1.00 1.21 H new ATOM 0 HG2 LYS A 110 4.476 -21.509 -22.945 1.00 30.45 H new ATOM 0 HG3 LYS A 110 5.542 -20.344 -23.704 1.00 30.45 H new ATOM 0 HD2 LYS A 110 6.331 -22.544 -24.298 1.00 25.15 H new ATOM 0 HD3 LYS A 110 7.493 -21.851 -23.184 1.00 25.15 H new ATOM 0 HE2 LYS A 110 6.599 -23.143 -21.328 1.00 71.12 H new ATOM 0 HE3 LYS A 110 5.239 -23.687 -22.289 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 6.937 -25.389 -22.132 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 6.777 -24.877 -23.743 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 8.095 -24.349 -22.812 1.00 33.33 H new ATOM 1769 N PRO A 111 3.738 -19.761 -19.347 1.00 3.22 N ATOM 1770 CA PRO A 111 3.343 -19.721 -17.936 1.00 31.43 C ATOM 1771 C PRO A 111 4.380 -20.368 -17.025 1.00 53.03 C ATOM 1772 O PRO A 111 4.778 -19.791 -16.014 1.00 72.25 O ATOM 1773 CB PRO A 111 2.037 -20.519 -17.911 1.00 2.05 C ATOM 1774 CG PRO A 111 2.128 -21.434 -19.084 1.00 62.33 C ATOM 1775 CD PRO A 111 2.901 -20.683 -20.134 1.00 71.40 C ATOM 0 HA PRO A 111 3.242 -18.699 -17.570 1.00 31.43 H new ATOM 0 HB2 PRO A 111 1.932 -21.077 -16.981 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.170 -19.862 -17.988 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.633 -22.362 -18.817 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.136 -21.703 -19.447 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.506 -21.354 -20.744 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.239 -20.145 -20.813 1.00 71.40 H new ATOM 1783 N ALA A 112 4.815 -21.570 -17.390 1.00 62.44 N ATOM 1784 CA ALA A 112 5.809 -22.294 -16.607 1.00 52.52 C ATOM 1785 C ALA A 112 7.118 -21.516 -16.528 1.00 34.24 C ATOM 1786 O ALA A 112 7.772 -21.492 -15.485 1.00 74.33 O ATOM 1787 CB ALA A 112 6.047 -23.673 -17.203 1.00 45.03 C ATOM 0 H ALA A 112 4.494 -22.063 -18.223 1.00 62.44 H new ATOM 0 HA ALA A 112 5.424 -22.410 -15.594 1.00 52.52 H new ATOM 0 HB1 ALA A 112 6.791 -24.203 -16.609 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.114 -24.236 -17.201 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.407 -23.570 -18.227 1.00 45.03 H new ATOM 1793 N GLN A 113 7.492 -20.882 -17.634 1.00 34.25 N ATOM 1794 CA GLN A 113 8.725 -20.105 -17.689 1.00 42.12 C ATOM 1795 C GLN A 113 8.614 -18.849 -16.832 1.00 63.54 C ATOM 1796 O GLN A 113 9.499 -18.552 -16.029 1.00 30.03 O ATOM 1797 CB GLN A 113 9.050 -19.724 -19.134 1.00 62.35 C ATOM 1798 CG GLN A 113 9.248 -20.921 -20.049 1.00 53.13 C ATOM 1799 CD GLN A 113 10.204 -21.946 -19.471 1.00 30.34 C ATOM 1800 OE1 GLN A 113 9.813 -23.069 -19.157 1.00 1.43 O ATOM 1801 NE2 GLN A 113 11.467 -21.562 -19.326 1.00 31.33 N ATOM 0 H GLN A 113 6.960 -20.891 -18.504 1.00 34.25 H new ATOM 0 HA GLN A 113 9.532 -20.723 -17.295 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.244 -19.106 -19.528 1.00 62.35 H new ATOM 0 HB3 GLN A 113 9.954 -19.115 -19.146 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.284 -21.394 -20.236 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.627 -20.579 -21.012 1.00 53.13 H new ATOM 0 HE21 GLN A 113 11.748 -20.621 -19.600 1.00 31.33 H new ATOM 0 HE22 GLN A 113 12.156 -22.209 -18.941 1.00 31.33 H new ATOM 1810 N TYR A 114 7.523 -18.113 -17.007 1.00 74.31 N ATOM 1811 CA TYR A 114 7.297 -16.887 -16.252 1.00 32.54 C ATOM 1812 C TYR A 114 7.348 -17.154 -14.751 1.00 30.52 C ATOM 1813 O TYR A 114 8.025 -16.445 -14.007 1.00 21.43 O ATOM 1814 CB TYR A 114 5.947 -16.273 -16.627 1.00 52.21 C ATOM 1815 CG TYR A 114 5.922 -14.764 -16.537 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.871 -13.993 -17.197 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.948 -14.108 -15.795 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.853 -12.615 -17.117 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.920 -12.729 -15.711 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.876 -11.987 -16.374 1.00 74.52 C ATOM 1821 OH TYR A 114 5.853 -10.613 -16.294 1.00 24.42 O ATOM 0 H TYR A 114 6.780 -18.345 -17.666 1.00 74.31 H new ATOM 0 HA TYR A 114 8.091 -16.184 -16.505 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.691 -16.572 -17.643 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.177 -16.680 -15.971 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.636 -14.480 -17.783 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.199 -14.686 -15.274 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.601 -12.032 -17.634 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.155 -12.235 -15.130 1.00 0.14 H new ATOM 0 HH TYR A 114 5.101 -10.331 -15.733 1.00 24.42 H new ATOM 1831 N GLU A 115 6.627 -18.183 -14.314 1.00 14.02 N ATOM 1832 CA GLU A 115 6.589 -18.544 -12.902 1.00 22.21 C ATOM 1833 C GLU A 115 7.965 -18.992 -12.419 1.00 15.44 C ATOM 1834 O GLU A 115 8.434 -18.564 -11.365 1.00 4.40 O ATOM 1835 CB GLU A 115 5.565 -19.656 -12.665 1.00 5.22 C ATOM 1836 CG GLU A 115 4.186 -19.342 -13.221 1.00 30.50 C ATOM 1837 CD GLU A 115 3.143 -19.177 -12.134 1.00 42.21 C ATOM 1838 OE1 GLU A 115 3.499 -18.703 -11.035 1.00 54.12 O ATOM 1839 OE2 GLU A 115 1.969 -19.522 -12.382 1.00 14.10 O ATOM 0 H GLU A 115 6.062 -18.780 -14.918 1.00 14.02 H new ATOM 0 HA GLU A 115 6.293 -17.662 -12.334 1.00 22.21 H new ATOM 0 HB2 GLU A 115 5.930 -20.577 -13.120 1.00 5.22 H new ATOM 0 HB3 GLU A 115 5.482 -19.840 -11.594 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.236 -18.428 -13.813 1.00 30.50 H new ATOM 0 HG3 GLU A 115 3.879 -20.142 -13.895 1.00 30.50 H new ATOM 1846 N ALA A 116 8.606 -19.859 -13.198 1.00 50.22 N ATOM 1847 CA ALA A 116 9.928 -20.365 -12.851 1.00 4.31 C ATOM 1848 C ALA A 116 10.931 -19.226 -12.708 1.00 51.44 C ATOM 1849 O ALA A 116 11.685 -19.169 -11.736 1.00 72.23 O ATOM 1850 CB ALA A 116 10.403 -21.362 -13.897 1.00 54.13 C ATOM 0 H ALA A 116 8.231 -20.225 -14.073 1.00 50.22 H new ATOM 0 HA ALA A 116 9.855 -20.872 -11.889 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.392 -21.732 -13.625 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.704 -22.197 -13.947 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.454 -20.873 -14.870 1.00 54.13 H new ATOM 1856 N TYR A 117 10.938 -18.324 -13.682 1.00 54.32 N ATOM 1857 CA TYR A 117 11.851 -17.187 -13.666 1.00 43.12 C ATOM 1858 C TYR A 117 11.546 -16.259 -12.494 1.00 23.32 C ATOM 1859 O TYR A 117 12.454 -15.714 -11.866 1.00 72.22 O ATOM 1860 CB TYR A 117 11.760 -16.413 -14.981 1.00 24.03 C ATOM 1861 CG TYR A 117 13.080 -16.295 -15.708 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.564 -17.338 -16.487 1.00 53.14 C ATOM 1863 CD2 TYR A 117 13.846 -15.138 -15.615 1.00 22.44 C ATOM 1864 CE1 TYR A 117 14.771 -17.234 -17.151 1.00 11.13 C ATOM 1865 CE2 TYR A 117 15.052 -15.024 -16.277 1.00 40.30 C ATOM 1866 CZ TYR A 117 15.511 -16.076 -17.044 1.00 14.53 C ATOM 1867 OH TYR A 117 16.713 -15.967 -17.705 1.00 31.20 O ATOM 0 H TYR A 117 10.321 -18.358 -14.494 1.00 54.32 H new ATOM 0 HA TYR A 117 12.865 -17.570 -13.548 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.039 -16.905 -15.633 1.00 24.03 H new ATOM 0 HB3 TYR A 117 11.376 -15.413 -14.778 1.00 24.03 H new ATOM 0 HD1 TYR A 117 12.987 -18.246 -16.575 1.00 53.14 H new ATOM 0 HD2 TYR A 117 13.491 -14.314 -15.014 1.00 22.44 H new ATOM 0 HE1 TYR A 117 15.133 -18.056 -17.751 1.00 11.13 H new ATOM 0 HE2 TYR A 117 15.633 -14.117 -16.195 1.00 40.30 H new ATOM 0 HH TYR A 117 17.107 -15.088 -17.525 1.00 31.20 H new ATOM 1877 N PHE A 118 10.261 -16.084 -12.205 1.00 14.14 N ATOM 1878 CA PHE A 118 9.833 -15.222 -11.110 1.00 2.10 C ATOM 1879 C PHE A 118 9.590 -16.035 -9.842 1.00 23.32 C ATOM 1880 O PHE A 118 8.820 -15.631 -8.970 1.00 14.34 O ATOM 1881 CB PHE A 118 8.561 -14.465 -11.496 1.00 24.24 C ATOM 1882 CG PHE A 118 8.827 -13.165 -12.200 1.00 65.14 C ATOM 1883 CD1 PHE A 118 9.636 -12.202 -11.620 1.00 41.02 C ATOM 1884 CD2 PHE A 118 8.269 -12.908 -13.441 1.00 55.11 C ATOM 1885 CE1 PHE A 118 9.881 -11.004 -12.266 1.00 73.25 C ATOM 1886 CE2 PHE A 118 8.512 -11.713 -14.092 1.00 41.31 C ATOM 1887 CZ PHE A 118 9.320 -10.760 -13.504 1.00 31.03 C ATOM 0 H PHE A 118 9.497 -16.528 -12.715 1.00 14.14 H new ATOM 0 HA PHE A 118 10.629 -14.504 -10.913 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.951 -15.099 -12.140 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.977 -14.269 -10.597 1.00 24.24 H new ATOM 0 HD1 PHE A 118 10.080 -12.389 -10.653 1.00 41.02 H new ATOM 0 HD2 PHE A 118 7.637 -13.650 -13.906 1.00 55.11 H new ATOM 0 HE1 PHE A 118 10.511 -10.259 -11.802 1.00 73.25 H new ATOM 0 HE2 PHE A 118 8.070 -11.525 -15.059 1.00 41.31 H new ATOM 0 HZ PHE A 118 9.513 -9.826 -14.011 1.00 31.03 H new