USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 749 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -83:sc= 1.65 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.23) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0844 K(o=-0.084,f=-1.9!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.27) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0593 USER MOD Single : A 46 THR OG1 : rot -82:sc= 0.478 USER MOD Single : A 56 THR OG1 : rot 149:sc= -0.985 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 65 CYS SG : rot -23:sc= 0.782 USER MOD Single : A 68 GLN : amide:sc= -0.955 K(o=-0.95,f=-4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc=0.000378 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -15:sc= -0.0059 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -155:sc= -0.0518 (180deg=-1.41) USER MOD Single : A 110 TYR OH : rot 150:sc= 0 USER MOD Single : A 111 SER OG : rot -43:sc= 0.715 USER MOD Single : A 112 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.3!) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 2.284 8.882 -11.682 1.00 71.32 N ATOM 93 CA ARG A 7 2.871 7.790 -12.449 1.00 64.30 C ATOM 94 C ARG A 7 3.173 6.594 -11.550 1.00 14.43 C ATOM 95 O ARG A 7 2.805 5.462 -11.862 1.00 62.30 O ATOM 96 CB ARG A 7 4.153 8.256 -13.141 1.00 42.35 C ATOM 97 CG ARG A 7 4.259 7.811 -14.591 1.00 0.40 C ATOM 98 CD ARG A 7 5.691 7.457 -14.962 1.00 14.21 C ATOM 99 NE ARG A 7 5.750 6.381 -15.948 1.00 4.24 N ATOM 100 CZ ARG A 7 6.816 6.134 -16.702 1.00 34.12 C ATOM 101 NH1 ARG A 7 7.904 6.882 -16.583 1.00 60.42 N ATOM 102 NH2 ARG A 7 6.793 5.136 -17.577 1.00 4.44 N ATOM 0 HA ARG A 7 2.149 7.482 -13.205 1.00 64.30 H new ATOM 0 HB2 ARG A 7 4.204 9.344 -13.099 1.00 42.35 H new ATOM 0 HB3 ARG A 7 5.013 7.875 -12.589 1.00 42.35 H new ATOM 0 HG2 ARG A 7 3.615 6.947 -14.756 1.00 0.40 H new ATOM 0 HG3 ARG A 7 3.899 8.606 -15.244 1.00 0.40 H new ATOM 0 HD2 ARG A 7 6.192 8.340 -15.359 1.00 14.21 H new ATOM 0 HD3 ARG A 7 6.234 7.158 -14.066 1.00 14.21 H new ATOM 0 HE ARG A 7 4.929 5.787 -16.064 1.00 4.24 H new ATOM 0 HH11 ARG A 7 7.924 7.649 -15.911 1.00 60.42 H new ATOM 0 HH12 ARG A 7 8.721 6.690 -17.163 1.00 60.42 H new ATOM 0 HH21 ARG A 7 5.957 4.559 -17.671 1.00 4.44 H new ATOM 0 HH22 ARG A 7 7.611 4.946 -18.156 1.00 4.44 H new ATOM 116 N ASP A 8 3.843 6.855 -10.433 1.00 45.11 N ATOM 117 CA ASP A 8 4.194 5.801 -9.488 1.00 12.31 C ATOM 118 C ASP A 8 2.950 5.047 -9.029 1.00 53.20 C ATOM 119 O ASP A 8 2.996 3.840 -8.792 1.00 52.13 O ATOM 120 CB ASP A 8 4.922 6.392 -8.280 1.00 10.05 C ATOM 121 CG ASP A 8 5.365 5.329 -7.294 1.00 22.30 C ATOM 122 OD1 ASP A 8 6.486 4.802 -7.454 1.00 52.03 O ATOM 123 OD2 ASP A 8 4.591 5.023 -6.363 1.00 20.42 O ATOM 0 H ASP A 8 4.154 7.787 -10.160 1.00 45.11 H new ATOM 0 HA ASP A 8 4.857 5.099 -9.994 1.00 12.31 H new ATOM 0 HB2 ASP A 8 5.793 6.951 -8.622 1.00 10.05 H new ATOM 0 HB3 ASP A 8 4.266 7.101 -7.775 1.00 10.05 H new ATOM 128 N TRP A 9 1.841 5.767 -8.905 1.00 35.12 N ATOM 129 CA TRP A 9 0.584 5.166 -8.473 1.00 31.52 C ATOM 130 C TRP A 9 -0.016 4.304 -9.579 1.00 1.32 C ATOM 131 O TRP A 9 -0.284 3.119 -9.380 1.00 54.24 O ATOM 132 CB TRP A 9 -0.410 6.252 -8.060 1.00 50.41 C ATOM 133 CG TRP A 9 -1.781 5.723 -7.764 1.00 64.24 C ATOM 134 CD1 TRP A 9 -2.824 5.616 -8.639 1.00 12.02 C ATOM 135 CD2 TRP A 9 -2.256 5.230 -6.507 1.00 61.31 C ATOM 136 NE1 TRP A 9 -3.920 5.086 -8.001 1.00 2.33 N ATOM 137 CE2 TRP A 9 -3.597 4.840 -6.693 1.00 22.25 C ATOM 138 CE3 TRP A 9 -1.679 5.078 -5.243 1.00 70.45 C ATOM 139 CZ2 TRP A 9 -4.367 4.310 -5.661 1.00 30.12 C ATOM 140 CZ3 TRP A 9 -2.445 4.552 -4.221 1.00 21.25 C ATOM 141 CH2 TRP A 9 -3.777 4.172 -4.434 1.00 3.20 C ATOM 0 H TRP A 9 1.786 6.767 -9.097 1.00 35.12 H new ATOM 0 HA TRP A 9 0.792 4.529 -7.614 1.00 31.52 H new ATOM 0 HB2 TRP A 9 -0.029 6.766 -7.178 1.00 50.41 H new ATOM 0 HB3 TRP A 9 -0.479 6.993 -8.856 1.00 50.41 H new ATOM 0 HD1 TRP A 9 -2.792 5.905 -9.679 1.00 12.02 H new ATOM 0 HE1 TRP A 9 -4.827 4.905 -8.432 1.00 2.33 H new ATOM 0 HE3 TRP A 9 -0.653 5.367 -5.069 1.00 70.45 H new ATOM 0 HZ2 TRP A 9 -5.394 4.018 -5.823 1.00 30.12 H new ATOM 0 HZ3 TRP A 9 -2.010 4.431 -3.240 1.00 21.25 H new ATOM 0 HH2 TRP A 9 -4.349 3.763 -3.614 1.00 3.20 H new ATOM 152 N LYS A 10 -0.224 4.907 -10.745 1.00 31.33 N ATOM 153 CA LYS A 10 -0.791 4.195 -11.884 1.00 20.41 C ATOM 154 C LYS A 10 -0.015 2.912 -12.165 1.00 20.24 C ATOM 155 O LYS A 10 -0.583 1.919 -12.619 1.00 22.15 O ATOM 156 CB LYS A 10 -0.784 5.089 -13.125 1.00 53.34 C ATOM 157 CG LYS A 10 -2.106 5.100 -13.874 1.00 43.33 C ATOM 158 CD LYS A 10 -2.098 6.117 -15.003 1.00 55.42 C ATOM 159 CE LYS A 10 -1.408 5.570 -16.243 1.00 24.45 C ATOM 160 NZ LYS A 10 -2.385 5.046 -17.237 1.00 21.34 N ATOM 0 H LYS A 10 -0.008 5.887 -10.926 1.00 31.33 H new ATOM 0 HA LYS A 10 -1.820 3.931 -11.640 1.00 20.41 H new ATOM 0 HB2 LYS A 10 -0.536 6.108 -12.827 1.00 53.34 H new ATOM 0 HB3 LYS A 10 0.004 4.754 -13.800 1.00 53.34 H new ATOM 0 HG2 LYS A 10 -2.304 4.107 -14.278 1.00 43.33 H new ATOM 0 HG3 LYS A 10 -2.916 5.330 -13.182 1.00 43.33 H new ATOM 0 HD2 LYS A 10 -3.122 6.397 -15.249 1.00 55.42 H new ATOM 0 HD3 LYS A 10 -1.591 7.024 -14.673 1.00 55.42 H new ATOM 0 HE2 LYS A 10 -0.810 6.357 -16.702 1.00 24.45 H new ATOM 0 HE3 LYS A 10 -0.721 4.774 -15.955 1.00 24.45 H new ATOM 0 HZ1 LYS A 10 -1.875 4.683 -18.067 1.00 21.34 H new ATOM 0 HZ2 LYS A 10 -2.939 4.278 -16.807 1.00 21.34 H new ATOM 0 HZ3 LYS A 10 -3.025 5.811 -17.532 1.00 21.34 H new ATOM 174 N MET A 11 1.285 2.940 -11.890 1.00 61.12 N ATOM 175 CA MET A 11 2.138 1.778 -12.111 1.00 74.42 C ATOM 176 C MET A 11 1.867 0.699 -11.067 1.00 64.21 C ATOM 177 O MET A 11 1.601 -0.454 -11.407 1.00 13.44 O ATOM 178 CB MET A 11 3.612 2.185 -12.071 1.00 72.31 C ATOM 179 CG MET A 11 4.545 1.148 -12.675 1.00 42.25 C ATOM 180 SD MET A 11 4.813 1.400 -14.441 1.00 5.55 S ATOM 181 CE MET A 11 6.215 2.515 -14.414 1.00 42.20 C ATOM 0 H MET A 11 1.771 3.754 -11.514 1.00 61.12 H new ATOM 0 HA MET A 11 1.908 1.372 -13.096 1.00 74.42 H new ATOM 0 HB2 MET A 11 3.735 3.127 -12.605 1.00 72.31 H new ATOM 0 HB3 MET A 11 3.903 2.365 -11.036 1.00 72.31 H new ATOM 0 HG2 MET A 11 5.504 1.182 -12.157 1.00 42.25 H new ATOM 0 HG3 MET A 11 4.130 0.153 -12.513 1.00 42.25 H new ATOM 0 HE1 MET A 11 6.501 2.765 -15.436 1.00 42.20 H new ATOM 0 HE2 MET A 11 5.945 3.426 -13.880 1.00 42.20 H new ATOM 0 HE3 MET A 11 7.053 2.034 -13.910 1.00 42.20 H new ATOM 191 N ALA A 12 1.939 1.081 -9.796 1.00 75.41 N ATOM 192 CA ALA A 12 1.700 0.146 -8.703 1.00 52.13 C ATOM 193 C ALA A 12 0.379 -0.593 -8.891 1.00 42.24 C ATOM 194 O ALA A 12 0.230 -1.736 -8.458 1.00 54.33 O ATOM 195 CB ALA A 12 1.712 0.879 -7.370 1.00 55.10 C ATOM 0 H ALA A 12 2.161 2.031 -9.498 1.00 75.41 H new ATOM 0 HA ALA A 12 2.502 -0.592 -8.707 1.00 52.13 H new ATOM 0 HB1 ALA A 12 1.532 0.169 -6.563 1.00 55.10 H new ATOM 0 HB2 ALA A 12 2.682 1.355 -7.225 1.00 55.10 H new ATOM 0 HB3 ALA A 12 0.930 1.639 -7.366 1.00 55.10 H new ATOM 201 N ILE A 13 -0.575 0.067 -9.539 1.00 35.14 N ATOM 202 CA ILE A 13 -1.883 -0.528 -9.784 1.00 32.44 C ATOM 203 C ILE A 13 -1.851 -1.445 -11.002 1.00 45.31 C ATOM 204 O ILE A 13 -2.361 -2.564 -10.965 1.00 21.52 O ATOM 205 CB ILE A 13 -2.962 0.550 -9.995 1.00 50.23 C ATOM 206 CG1 ILE A 13 -3.063 1.451 -8.762 1.00 65.14 C ATOM 207 CG2 ILE A 13 -4.306 -0.097 -10.296 1.00 43.44 C ATOM 208 CD1 ILE A 13 -3.543 0.728 -7.524 1.00 20.04 C ATOM 0 H ILE A 13 -0.467 1.013 -9.904 1.00 35.14 H new ATOM 0 HA ILE A 13 -2.134 -1.113 -8.899 1.00 32.44 H new ATOM 0 HB ILE A 13 -2.677 1.165 -10.849 1.00 50.23 H new ATOM 0 HG12 ILE A 13 -2.085 1.889 -8.561 1.00 65.14 H new ATOM 0 HG13 ILE A 13 -3.743 2.275 -8.979 1.00 65.14 H new ATOM 0 HG21 ILE A 13 -5.058 0.678 -10.443 1.00 43.44 H new ATOM 0 HG22 ILE A 13 -4.225 -0.700 -11.200 1.00 43.44 H new ATOM 0 HG23 ILE A 13 -4.599 -0.733 -9.461 1.00 43.44 H new ATOM 0 HD11 ILE A 13 -3.590 1.428 -6.689 1.00 20.04 H new ATOM 0 HD12 ILE A 13 -4.534 0.313 -7.706 1.00 20.04 H new ATOM 0 HD13 ILE A 13 -2.851 -0.079 -7.282 1.00 20.04 H new ATOM 220 N LYS A 14 -1.245 -0.962 -12.082 1.00 20.40 N ATOM 221 CA LYS A 14 -1.142 -1.738 -13.312 1.00 64.13 C ATOM 222 C LYS A 14 -0.562 -3.122 -13.036 1.00 53.21 C ATOM 223 O LYS A 14 -0.912 -4.096 -13.703 1.00 10.20 O ATOM 224 CB LYS A 14 -0.269 -1.002 -14.332 1.00 23.35 C ATOM 225 CG LYS A 14 -0.072 -1.768 -15.629 1.00 2.53 C ATOM 226 CD LYS A 14 1.351 -2.285 -15.760 1.00 74.32 C ATOM 227 CE LYS A 14 2.321 -1.167 -16.106 1.00 3.52 C ATOM 228 NZ LYS A 14 3.724 -1.658 -16.197 1.00 42.20 N ATOM 0 H LYS A 14 -0.818 -0.037 -12.130 1.00 20.40 H new ATOM 0 HA LYS A 14 -2.145 -1.859 -13.721 1.00 64.13 H new ATOM 0 HB2 LYS A 14 -0.722 -0.036 -14.555 1.00 23.35 H new ATOM 0 HB3 LYS A 14 0.705 -0.802 -13.886 1.00 23.35 H new ATOM 0 HG2 LYS A 14 -0.769 -2.605 -15.668 1.00 2.53 H new ATOM 0 HG3 LYS A 14 -0.304 -1.120 -16.474 1.00 2.53 H new ATOM 0 HD2 LYS A 14 1.656 -2.756 -14.825 1.00 74.32 H new ATOM 0 HD3 LYS A 14 1.390 -3.054 -16.532 1.00 74.32 H new ATOM 0 HE2 LYS A 14 2.032 -0.716 -17.055 1.00 3.52 H new ATOM 0 HE3 LYS A 14 2.258 -0.385 -15.349 1.00 3.52 H new ATOM 0 HZ1 LYS A 14 4.354 -0.866 -16.435 1.00 42.20 H new ATOM 0 HZ2 LYS A 14 4.009 -2.065 -15.284 1.00 42.20 H new ATOM 0 HZ3 LYS A 14 3.790 -2.386 -16.936 1.00 42.20 H new ATOM 242 N ARG A 15 0.324 -3.201 -12.049 1.00 34.14 N ATOM 243 CA ARG A 15 0.951 -4.466 -11.684 1.00 54.05 C ATOM 244 C ARG A 15 0.099 -5.222 -10.669 1.00 24.24 C ATOM 245 O ARG A 15 -0.091 -6.434 -10.783 1.00 10.32 O ATOM 246 CB ARG A 15 2.348 -4.221 -11.113 1.00 2.11 C ATOM 247 CG ARG A 15 3.307 -3.578 -12.102 1.00 72.52 C ATOM 248 CD ARG A 15 4.503 -4.475 -12.382 1.00 32.25 C ATOM 249 NE ARG A 15 4.916 -4.416 -13.781 1.00 71.31 N ATOM 250 CZ ARG A 15 5.933 -5.112 -14.277 1.00 3.21 C ATOM 251 NH1 ARG A 15 6.637 -5.915 -13.491 1.00 41.10 N ATOM 252 NH2 ARG A 15 6.248 -5.005 -15.561 1.00 42.14 N ATOM 0 H ARG A 15 0.624 -2.404 -11.488 1.00 34.14 H new ATOM 0 HA ARG A 15 1.036 -5.074 -12.585 1.00 54.05 H new ATOM 0 HB2 ARG A 15 2.265 -3.583 -10.233 1.00 2.11 H new ATOM 0 HB3 ARG A 15 2.766 -5.171 -10.779 1.00 2.11 H new ATOM 0 HG2 ARG A 15 2.783 -3.367 -13.034 1.00 72.52 H new ATOM 0 HG3 ARG A 15 3.652 -2.622 -11.707 1.00 72.52 H new ATOM 0 HD2 ARG A 15 5.336 -4.177 -11.745 1.00 32.25 H new ATOM 0 HD3 ARG A 15 4.254 -5.503 -12.121 1.00 32.25 H new ATOM 0 HE ARG A 15 4.395 -3.807 -14.412 1.00 71.31 H new ATOM 0 HH11 ARG A 15 6.398 -5.999 -12.503 1.00 41.10 H new ATOM 0 HH12 ARG A 15 7.417 -6.448 -13.874 1.00 41.10 H new ATOM 0 HH21 ARG A 15 5.709 -4.388 -16.169 1.00 42.14 H new ATOM 0 HH22 ARG A 15 7.029 -5.540 -15.941 1.00 42.14 H new ATOM 266 N CYS A 16 -0.409 -4.500 -9.676 1.00 70.14 N ATOM 267 CA CYS A 16 -1.239 -5.103 -8.639 1.00 40.14 C ATOM 268 C CYS A 16 -2.499 -5.718 -9.240 1.00 42.32 C ATOM 269 O CYS A 16 -3.081 -6.643 -8.674 1.00 64.24 O ATOM 270 CB CYS A 16 -1.618 -4.058 -7.589 1.00 22.02 C ATOM 271 SG CYS A 16 -2.376 -4.749 -6.100 1.00 71.41 S ATOM 0 H CYS A 16 -0.261 -3.497 -9.567 1.00 70.14 H new ATOM 0 HA CYS A 16 -0.662 -5.895 -8.161 1.00 40.14 H new ATOM 0 HB2 CYS A 16 -0.724 -3.503 -7.305 1.00 22.02 H new ATOM 0 HB3 CYS A 16 -2.308 -3.343 -8.036 1.00 22.02 H new ATOM 0 HG CYS A 16 -3.646 -4.934 -6.306 1.00 71.41 H new ATOM 277 N SER A 17 -2.916 -5.195 -10.389 1.00 62.52 N ATOM 278 CA SER A 17 -4.110 -5.689 -11.064 1.00 72.24 C ATOM 279 C SER A 17 -3.999 -7.186 -11.339 1.00 53.25 C ATOM 280 O SER A 17 -5.006 -7.885 -11.442 1.00 71.24 O ATOM 281 CB SER A 17 -4.330 -4.933 -12.376 1.00 63.01 C ATOM 282 OG SER A 17 -5.381 -5.512 -13.129 1.00 70.51 O ATOM 0 H SER A 17 -2.445 -4.430 -10.871 1.00 62.52 H new ATOM 0 HA SER A 17 -4.964 -5.520 -10.408 1.00 72.24 H new ATOM 0 HB2 SER A 17 -4.563 -3.890 -12.163 1.00 63.01 H new ATOM 0 HB3 SER A 17 -3.411 -4.941 -12.962 1.00 63.01 H new ATOM 0 HG SER A 17 -5.502 -5.010 -13.962 1.00 70.51 H new ATOM 288 N ASN A 18 -2.767 -7.670 -11.457 1.00 51.33 N ATOM 289 CA ASN A 18 -2.523 -9.083 -11.721 1.00 61.11 C ATOM 290 C ASN A 18 -2.773 -9.921 -10.471 1.00 10.12 C ATOM 291 O ASN A 18 -3.059 -11.115 -10.558 1.00 22.24 O ATOM 292 CB ASN A 18 -1.088 -9.292 -12.210 1.00 11.32 C ATOM 293 CG ASN A 18 -1.032 -9.808 -13.635 1.00 21.25 C ATOM 294 OD1 ASN A 18 -1.795 -10.696 -14.015 1.00 62.22 O ATOM 295 ND2 ASN A 18 -0.125 -9.253 -14.430 1.00 0.33 N ATOM 0 H ASN A 18 -1.922 -7.104 -11.374 1.00 51.33 H new ATOM 0 HA ASN A 18 -3.215 -9.406 -12.498 1.00 61.11 H new ATOM 0 HB2 ASN A 18 -0.544 -8.349 -12.146 1.00 11.32 H new ATOM 0 HB3 ASN A 18 -0.582 -9.997 -11.551 1.00 11.32 H new ATOM 0 HD21 ASN A 18 -0.040 -9.560 -15.399 1.00 0.33 H new ATOM 0 HD22 ASN A 18 0.487 -8.520 -14.072 1.00 0.33 H new ATOM 302 N VAL A 19 -2.664 -9.286 -9.308 1.00 70.01 N ATOM 303 CA VAL A 19 -2.880 -9.972 -8.040 1.00 1.45 C ATOM 304 C VAL A 19 -4.209 -10.718 -8.038 1.00 20.43 C ATOM 305 O VAL A 19 -5.247 -10.159 -8.389 1.00 73.33 O ATOM 306 CB VAL A 19 -2.857 -8.985 -6.857 1.00 45.21 C ATOM 307 CG1 VAL A 19 -3.114 -9.714 -5.547 1.00 72.25 C ATOM 308 CG2 VAL A 19 -1.530 -8.241 -6.811 1.00 14.13 C ATOM 0 H VAL A 19 -2.427 -8.298 -9.218 1.00 70.01 H new ATOM 0 HA VAL A 19 -2.065 -10.687 -7.924 1.00 1.45 H new ATOM 0 HB VAL A 19 -3.653 -8.255 -7.000 1.00 45.21 H new ATOM 0 HG11 VAL A 19 -3.094 -9.000 -4.723 1.00 72.25 H new ATOM 0 HG12 VAL A 19 -4.090 -10.197 -5.585 1.00 72.25 H new ATOM 0 HG13 VAL A 19 -2.342 -10.468 -5.393 1.00 72.25 H new ATOM 0 HG21 VAL A 19 -1.530 -7.548 -5.970 1.00 14.13 H new ATOM 0 HG22 VAL A 19 -0.716 -8.956 -6.692 1.00 14.13 H new ATOM 0 HG23 VAL A 19 -1.392 -7.685 -7.739 1.00 14.13 H new ATOM 318 N ALA A 20 -4.169 -11.986 -7.639 1.00 2.52 N ATOM 319 CA ALA A 20 -5.370 -12.809 -7.589 1.00 35.05 C ATOM 320 C ALA A 20 -5.734 -13.162 -6.150 1.00 73.14 C ATOM 321 O ALA A 20 -4.860 -13.311 -5.297 1.00 2.43 O ATOM 322 CB ALA A 20 -5.178 -14.074 -8.412 1.00 54.22 C ATOM 0 H ALA A 20 -3.317 -12.465 -7.346 1.00 2.52 H new ATOM 0 HA ALA A 20 -6.193 -12.234 -8.014 1.00 35.05 H new ATOM 0 HB1 ALA A 20 -6.083 -14.679 -8.365 1.00 54.22 H new ATOM 0 HB2 ALA A 20 -4.973 -13.806 -9.449 1.00 54.22 H new ATOM 0 HB3 ALA A 20 -4.339 -14.644 -8.012 1.00 54.22 H new ATOM 328 N VAL A 21 -7.031 -13.295 -5.888 1.00 43.42 N ATOM 329 CA VAL A 21 -7.510 -13.631 -4.553 1.00 12.31 C ATOM 330 C VAL A 21 -6.939 -14.964 -4.083 1.00 73.05 C ATOM 331 O VAL A 21 -6.638 -15.141 -2.904 1.00 64.41 O ATOM 332 CB VAL A 21 -9.048 -13.700 -4.510 1.00 13.53 C ATOM 333 CG1 VAL A 21 -9.536 -13.861 -3.078 1.00 23.30 C ATOM 334 CG2 VAL A 21 -9.655 -12.461 -5.151 1.00 42.24 C ATOM 0 H VAL A 21 -7.768 -13.175 -6.583 1.00 43.42 H new ATOM 0 HA VAL A 21 -7.170 -12.839 -3.886 1.00 12.31 H new ATOM 0 HB VAL A 21 -9.371 -14.572 -5.079 1.00 13.53 H new ATOM 0 HG11 VAL A 21 -10.625 -13.908 -3.068 1.00 23.30 H new ATOM 0 HG12 VAL A 21 -9.129 -14.780 -2.656 1.00 23.30 H new ATOM 0 HG13 VAL A 21 -9.204 -13.011 -2.483 1.00 23.30 H new ATOM 0 HG21 VAL A 21 -10.742 -12.527 -5.112 1.00 42.24 H new ATOM 0 HG22 VAL A 21 -9.325 -11.573 -4.611 1.00 42.24 H new ATOM 0 HG23 VAL A 21 -9.333 -12.394 -6.190 1.00 42.24 H new ATOM 344 N GLY A 22 -6.793 -15.900 -5.016 1.00 71.41 N ATOM 345 CA GLY A 22 -6.258 -17.207 -4.679 1.00 11.54 C ATOM 346 C GLY A 22 -4.895 -17.452 -5.295 1.00 0.45 C ATOM 347 O GLY A 22 -4.335 -16.573 -5.951 1.00 20.24 O ATOM 0 H GLY A 22 -7.036 -15.777 -5.999 1.00 71.41 H new ATOM 0 HA2 GLY A 22 -6.185 -17.298 -3.595 1.00 11.54 H new ATOM 0 HA3 GLY A 22 -6.950 -17.978 -5.018 1.00 11.54 H new ATOM 351 N VAL A 23 -4.358 -18.649 -5.082 1.00 41.11 N ATOM 352 CA VAL A 23 -3.051 -19.007 -5.621 1.00 32.12 C ATOM 353 C VAL A 23 -3.156 -19.428 -7.082 1.00 70.42 C ATOM 354 O VAL A 23 -2.247 -19.187 -7.875 1.00 72.25 O ATOM 355 CB VAL A 23 -2.405 -20.149 -4.814 1.00 12.12 C ATOM 356 CG1 VAL A 23 -2.186 -19.725 -3.370 1.00 13.35 C ATOM 357 CG2 VAL A 23 -3.263 -21.403 -4.886 1.00 31.14 C ATOM 0 H VAL A 23 -4.808 -19.387 -4.540 1.00 41.11 H new ATOM 0 HA VAL A 23 -2.423 -18.119 -5.546 1.00 32.12 H new ATOM 0 HB VAL A 23 -1.433 -20.376 -5.252 1.00 12.12 H new ATOM 0 HG11 VAL A 23 -1.729 -20.545 -2.815 1.00 13.35 H new ATOM 0 HG12 VAL A 23 -1.528 -18.856 -3.342 1.00 13.35 H new ATOM 0 HG13 VAL A 23 -3.144 -19.470 -2.916 1.00 13.35 H new ATOM 0 HG21 VAL A 23 -2.792 -22.200 -4.310 1.00 31.14 H new ATOM 0 HG22 VAL A 23 -4.250 -21.193 -4.474 1.00 31.14 H new ATOM 0 HG23 VAL A 23 -3.363 -21.716 -5.925 1.00 31.14 H new ATOM 436 N LYS A 29 -9.074 -11.827 -10.347 1.00 14.33 N ATOM 437 CA LYS A 29 -8.093 -10.823 -9.952 1.00 62.14 C ATOM 438 C LYS A 29 -8.780 -9.558 -9.449 1.00 33.14 C ATOM 439 O LYS A 29 -9.951 -9.317 -9.742 1.00 74.14 O ATOM 440 CB LYS A 29 -7.178 -10.484 -11.131 1.00 41.04 C ATOM 441 CG LYS A 29 -7.914 -9.894 -12.322 1.00 44.11 C ATOM 442 CD LYS A 29 -6.995 -9.733 -13.521 1.00 64.25 C ATOM 443 CE LYS A 29 -7.672 -10.184 -14.807 1.00 3.22 C ATOM 444 NZ LYS A 29 -7.599 -11.661 -14.983 1.00 55.34 N ATOM 0 HA LYS A 29 -7.494 -11.236 -9.141 1.00 62.14 H new ATOM 0 HB2 LYS A 29 -6.417 -9.778 -10.798 1.00 41.04 H new ATOM 0 HB3 LYS A 29 -6.657 -11.388 -11.448 1.00 41.04 H new ATOM 0 HG2 LYS A 29 -8.752 -10.538 -12.589 1.00 44.11 H new ATOM 0 HG3 LYS A 29 -8.331 -8.925 -12.049 1.00 44.11 H new ATOM 0 HD2 LYS A 29 -6.695 -8.689 -13.613 1.00 64.25 H new ATOM 0 HD3 LYS A 29 -6.086 -10.313 -13.364 1.00 64.25 H new ATOM 0 HE2 LYS A 29 -8.716 -9.870 -14.797 1.00 3.22 H new ATOM 0 HE3 LYS A 29 -7.200 -9.693 -15.658 1.00 3.22 H new ATOM 0 HZ1 LYS A 29 -8.071 -11.929 -15.870 1.00 55.34 H new ATOM 0 HZ2 LYS A 29 -6.603 -11.958 -15.018 1.00 55.34 H new ATOM 0 HZ3 LYS A 29 -8.072 -12.130 -14.184 1.00 55.34 H new ATOM 458 N PHE A 30 -8.045 -8.753 -8.690 1.00 3.53 N ATOM 459 CA PHE A 30 -8.584 -7.512 -8.146 1.00 1.43 C ATOM 460 C PHE A 30 -8.468 -6.377 -9.160 1.00 24.33 C ATOM 461 O PHE A 30 -8.051 -6.588 -10.298 1.00 10.20 O ATOM 462 CB PHE A 30 -7.852 -7.135 -6.856 1.00 2.10 C ATOM 463 CG PHE A 30 -8.099 -8.092 -5.725 1.00 63.01 C ATOM 464 CD1 PHE A 30 -9.381 -8.301 -5.244 1.00 73.04 C ATOM 465 CD2 PHE A 30 -7.048 -8.783 -5.143 1.00 73.21 C ATOM 466 CE1 PHE A 30 -9.611 -9.181 -4.203 1.00 41.44 C ATOM 467 CE2 PHE A 30 -7.272 -9.664 -4.102 1.00 21.40 C ATOM 468 CZ PHE A 30 -8.555 -9.864 -3.632 1.00 72.13 C ATOM 0 H PHE A 30 -7.074 -8.938 -8.437 1.00 3.53 H new ATOM 0 HA PHE A 30 -9.639 -7.671 -7.924 1.00 1.43 H new ATOM 0 HB2 PHE A 30 -6.781 -7.089 -7.055 1.00 2.10 H new ATOM 0 HB3 PHE A 30 -8.162 -6.136 -6.550 1.00 2.10 H new ATOM 0 HD1 PHE A 30 -10.211 -7.770 -5.687 1.00 73.04 H new ATOM 0 HD2 PHE A 30 -6.043 -8.631 -5.507 1.00 73.21 H new ATOM 0 HE1 PHE A 30 -10.615 -9.334 -3.837 1.00 41.44 H new ATOM 0 HE2 PHE A 30 -6.444 -10.196 -3.656 1.00 21.40 H new ATOM 0 HZ PHE A 30 -8.732 -10.553 -2.820 1.00 72.13 H new ATOM 478 N GLY A 31 -8.840 -5.173 -8.737 1.00 10.10 N ATOM 479 CA GLY A 31 -8.771 -4.023 -9.619 1.00 51.15 C ATOM 480 C GLY A 31 -8.508 -2.732 -8.870 1.00 45.01 C ATOM 481 O GLY A 31 -8.466 -2.719 -7.640 1.00 53.44 O ATOM 0 H GLY A 31 -9.188 -4.974 -7.799 1.00 10.10 H new ATOM 0 HA2 GLY A 31 -7.982 -4.180 -10.354 1.00 51.15 H new ATOM 0 HA3 GLY A 31 -9.707 -3.935 -10.170 1.00 51.15 H new ATOM 485 N GLU A 32 -8.327 -1.644 -9.613 1.00 30.40 N ATOM 486 CA GLU A 32 -8.063 -0.343 -9.010 1.00 33.22 C ATOM 487 C GLU A 32 -9.140 0.011 -7.989 1.00 14.53 C ATOM 488 O GLU A 32 -8.855 0.607 -6.951 1.00 31.23 O ATOM 489 CB GLU A 32 -7.992 0.739 -10.089 1.00 51.02 C ATOM 490 CG GLU A 32 -9.122 0.663 -11.103 1.00 5.13 C ATOM 491 CD GLU A 32 -8.632 0.322 -12.497 1.00 13.21 C ATOM 492 OE1 GLU A 32 -8.541 -0.882 -12.815 1.00 21.22 O ATOM 493 OE2 GLU A 32 -8.341 1.259 -13.270 1.00 23.35 O ATOM 0 H GLU A 32 -8.358 -1.638 -10.632 1.00 30.40 H new ATOM 0 HA GLU A 32 -7.103 -0.397 -8.496 1.00 33.22 H new ATOM 0 HB2 GLU A 32 -8.009 1.718 -9.611 1.00 51.02 H new ATOM 0 HB3 GLU A 32 -7.039 0.656 -10.612 1.00 51.02 H new ATOM 0 HG2 GLU A 32 -9.844 -0.088 -10.782 1.00 5.13 H new ATOM 0 HG3 GLU A 32 -9.646 1.618 -11.130 1.00 5.13 H new ATOM 500 N GLY A 33 -10.381 -0.359 -8.293 1.00 1.14 N ATOM 501 CA GLY A 33 -11.482 -0.071 -7.393 1.00 34.23 C ATOM 502 C GLY A 33 -11.354 -0.797 -6.068 1.00 44.21 C ATOM 503 O GLY A 33 -11.668 -0.242 -5.016 1.00 74.41 O ATOM 0 H GLY A 33 -10.643 -0.853 -9.146 1.00 1.14 H new ATOM 0 HA2 GLY A 33 -11.528 1.003 -7.212 1.00 34.23 H new ATOM 0 HA3 GLY A 33 -12.420 -0.354 -7.870 1.00 34.23 H new ATOM 507 N ASN A 34 -10.891 -2.042 -6.120 1.00 2.44 N ATOM 508 CA ASN A 34 -10.723 -2.845 -4.914 1.00 74.32 C ATOM 509 C ASN A 34 -9.597 -2.295 -4.045 1.00 44.34 C ATOM 510 O ASN A 34 -9.734 -2.186 -2.827 1.00 13.22 O ATOM 511 CB ASN A 34 -10.433 -4.301 -5.283 1.00 61.53 C ATOM 512 CG ASN A 34 -11.625 -4.984 -5.925 1.00 33.31 C ATOM 513 OD1 ASN A 34 -11.538 -5.487 -7.045 1.00 51.24 O ATOM 514 ND2 ASN A 34 -12.748 -5.005 -5.215 1.00 45.23 N ATOM 0 H ASN A 34 -10.626 -2.516 -6.983 1.00 2.44 H new ATOM 0 HA ASN A 34 -11.651 -2.799 -4.345 1.00 74.32 H new ATOM 0 HB2 ASN A 34 -9.585 -4.337 -5.967 1.00 61.53 H new ATOM 0 HB3 ASN A 34 -10.143 -4.849 -4.387 1.00 61.53 H new ATOM 0 HD21 ASN A 34 -13.583 -5.451 -5.595 1.00 45.23 H new ATOM 0 HD22 ASN A 34 -12.775 -4.575 -4.290 1.00 45.23 H new ATOM 521 N PHE A 35 -8.482 -1.948 -4.681 1.00 32.10 N ATOM 522 CA PHE A 35 -7.331 -1.409 -3.967 1.00 1.23 C ATOM 523 C PHE A 35 -7.668 -0.065 -3.327 1.00 72.12 C ATOM 524 O PHE A 35 -7.465 0.133 -2.129 1.00 64.32 O ATOM 525 CB PHE A 35 -6.143 -1.250 -4.918 1.00 3.15 C ATOM 526 CG PHE A 35 -5.917 -2.444 -5.800 1.00 72.20 C ATOM 527 CD1 PHE A 35 -5.980 -3.727 -5.281 1.00 61.41 C ATOM 528 CD2 PHE A 35 -5.642 -2.284 -7.148 1.00 41.45 C ATOM 529 CE1 PHE A 35 -5.773 -4.829 -6.090 1.00 53.45 C ATOM 530 CE2 PHE A 35 -5.435 -3.381 -7.963 1.00 2.03 C ATOM 531 CZ PHE A 35 -5.499 -4.655 -7.433 1.00 13.01 C ATOM 0 H PHE A 35 -8.352 -2.031 -5.689 1.00 32.10 H new ATOM 0 HA PHE A 35 -7.064 -2.111 -3.177 1.00 1.23 H new ATOM 0 HB2 PHE A 35 -6.303 -0.372 -5.543 1.00 3.15 H new ATOM 0 HB3 PHE A 35 -5.242 -1.065 -4.333 1.00 3.15 H new ATOM 0 HD1 PHE A 35 -6.193 -3.868 -4.232 1.00 61.41 H new ATOM 0 HD2 PHE A 35 -5.589 -1.290 -7.567 1.00 41.45 H new ATOM 0 HE1 PHE A 35 -5.825 -5.824 -5.673 1.00 53.45 H new ATOM 0 HE2 PHE A 35 -5.223 -3.242 -9.013 1.00 2.03 H new ATOM 0 HZ PHE A 35 -5.335 -5.514 -8.067 1.00 13.01 H new ATOM 541 N ARG A 36 -8.184 0.855 -4.135 1.00 55.03 N ATOM 542 CA ARG A 36 -8.548 2.181 -3.650 1.00 35.42 C ATOM 543 C ARG A 36 -9.579 2.085 -2.528 1.00 61.14 C ATOM 544 O ARG A 36 -9.588 2.904 -1.609 1.00 70.51 O ATOM 545 CB ARG A 36 -9.102 3.032 -4.794 1.00 62.00 C ATOM 546 CG ARG A 36 -10.492 2.616 -5.245 1.00 54.12 C ATOM 547 CD ARG A 36 -11.023 3.535 -6.334 1.00 42.34 C ATOM 548 NE ARG A 36 -11.451 4.825 -5.801 1.00 55.50 N ATOM 549 CZ ARG A 36 -11.712 5.884 -6.560 1.00 0.44 C ATOM 550 NH1 ARG A 36 -11.588 5.807 -7.877 1.00 74.43 N ATOM 551 NH2 ARG A 36 -12.098 7.024 -6.000 1.00 44.11 N ATOM 0 H ARG A 36 -8.360 0.707 -5.129 1.00 55.03 H new ATOM 0 HA ARG A 36 -7.649 2.655 -3.256 1.00 35.42 H new ATOM 0 HB2 ARG A 36 -9.128 4.075 -4.479 1.00 62.00 H new ATOM 0 HB3 ARG A 36 -8.421 2.972 -5.643 1.00 62.00 H new ATOM 0 HG2 ARG A 36 -10.464 1.591 -5.614 1.00 54.12 H new ATOM 0 HG3 ARG A 36 -11.171 2.630 -4.393 1.00 54.12 H new ATOM 0 HD2 ARG A 36 -10.249 3.692 -7.085 1.00 42.34 H new ATOM 0 HD3 ARG A 36 -11.862 3.054 -6.837 1.00 42.34 H new ATOM 0 HE ARG A 36 -11.555 4.918 -4.791 1.00 55.50 H new ATOM 0 HH11 ARG A 36 -11.291 4.933 -8.311 1.00 74.43 H new ATOM 0 HH12 ARG A 36 -11.789 6.622 -8.457 1.00 74.43 H new ATOM 0 HH21 ARG A 36 -12.194 7.087 -4.987 1.00 44.11 H new ATOM 0 HH22 ARG A 36 -12.298 7.837 -6.583 1.00 44.11 H new ATOM 565 N TRP A 37 -10.445 1.081 -2.612 1.00 4.30 N ATOM 566 CA TRP A 37 -11.480 0.879 -1.604 1.00 44.15 C ATOM 567 C TRP A 37 -10.864 0.530 -0.254 1.00 0.41 C ATOM 568 O TRP A 37 -11.245 1.088 0.775 1.00 73.13 O ATOM 569 CB TRP A 37 -12.438 -0.229 -2.043 1.00 60.25 C ATOM 570 CG TRP A 37 -13.421 -0.620 -0.981 1.00 42.25 C ATOM 571 CD1 TRP A 37 -14.677 -0.116 -0.802 1.00 53.42 C ATOM 572 CD2 TRP A 37 -13.227 -1.595 0.048 1.00 31.34 C ATOM 573 NE1 TRP A 37 -15.276 -0.719 0.277 1.00 14.13 N ATOM 574 CE2 TRP A 37 -14.408 -1.631 0.816 1.00 61.13 C ATOM 575 CE3 TRP A 37 -12.172 -2.443 0.396 1.00 73.51 C ATOM 576 CZ2 TRP A 37 -14.560 -2.481 1.908 1.00 2.43 C ATOM 577 CZ3 TRP A 37 -12.325 -3.286 1.481 1.00 45.23 C ATOM 578 CH2 TRP A 37 -13.511 -3.300 2.226 1.00 20.20 C ATOM 0 H TRP A 37 -10.451 0.395 -3.367 1.00 4.30 H new ATOM 0 HA TRP A 37 -12.036 1.810 -1.498 1.00 44.15 H new ATOM 0 HB2 TRP A 37 -12.982 0.101 -2.928 1.00 60.25 H new ATOM 0 HB3 TRP A 37 -11.859 -1.106 -2.333 1.00 60.25 H new ATOM 0 HD1 TRP A 37 -15.133 0.645 -1.418 1.00 53.42 H new ATOM 0 HE1 TRP A 37 -16.215 -0.520 0.621 1.00 14.13 H new ATOM 0 HE3 TRP A 37 -11.254 -2.440 -0.172 1.00 73.51 H new ATOM 0 HZ2 TRP A 37 -15.474 -2.494 2.484 1.00 2.43 H new ATOM 0 HZ3 TRP A 37 -11.516 -3.945 1.759 1.00 45.23 H new ATOM 0 HH2 TRP A 37 -13.599 -3.970 3.068 1.00 20.20 H new ATOM 589 N ALA A 38 -9.910 -0.395 -0.264 1.00 50.24 N ATOM 590 CA ALA A 38 -9.240 -0.816 0.960 1.00 54.40 C ATOM 591 C ALA A 38 -8.307 0.274 1.478 1.00 73.24 C ATOM 592 O ALA A 38 -8.384 0.668 2.642 1.00 41.14 O ATOM 593 CB ALA A 38 -8.469 -2.105 0.723 1.00 22.41 C ATOM 0 H ALA A 38 -9.584 -0.867 -1.107 1.00 50.24 H new ATOM 0 HA ALA A 38 -10.002 -0.996 1.718 1.00 54.40 H new ATOM 0 HB1 ALA A 38 -7.974 -2.408 1.646 1.00 22.41 H new ATOM 0 HB2 ALA A 38 -9.158 -2.888 0.407 1.00 22.41 H new ATOM 0 HB3 ALA A 38 -7.722 -1.944 -0.054 1.00 22.41 H new ATOM 599 N ILE A 39 -7.427 0.755 0.606 1.00 11.45 N ATOM 600 CA ILE A 39 -6.480 1.800 0.977 1.00 62.45 C ATOM 601 C ILE A 39 -7.196 3.002 1.583 1.00 23.41 C ATOM 602 O ILE A 39 -6.936 3.380 2.725 1.00 0.24 O ATOM 603 CB ILE A 39 -5.654 2.267 -0.237 1.00 32.51 C ATOM 604 CG1 ILE A 39 -4.896 1.087 -0.850 1.00 2.35 C ATOM 605 CG2 ILE A 39 -4.689 3.369 0.172 1.00 51.31 C ATOM 606 CD1 ILE A 39 -4.423 1.342 -2.264 1.00 11.03 C ATOM 0 H ILE A 39 -7.350 0.439 -0.361 1.00 11.45 H new ATOM 0 HA ILE A 39 -5.809 1.368 1.719 1.00 62.45 H new ATOM 0 HB ILE A 39 -6.334 2.667 -0.989 1.00 32.51 H new ATOM 0 HG12 ILE A 39 -4.035 0.854 -0.224 1.00 2.35 H new ATOM 0 HG13 ILE A 39 -5.541 0.209 -0.844 1.00 2.35 H new ATOM 0 HG21 ILE A 39 -4.113 3.689 -0.696 1.00 51.31 H new ATOM 0 HG22 ILE A 39 -5.250 4.216 0.567 1.00 51.31 H new ATOM 0 HG23 ILE A 39 -4.012 2.993 0.939 1.00 51.31 H new ATOM 0 HD11 ILE A 39 -3.894 0.464 -2.635 1.00 11.03 H new ATOM 0 HD12 ILE A 39 -5.282 1.545 -2.904 1.00 11.03 H new ATOM 0 HD13 ILE A 39 -3.752 2.201 -2.274 1.00 11.03 H new ATOM 618 N ARG A 40 -8.099 3.596 0.811 1.00 14.53 N ATOM 619 CA ARG A 40 -8.854 4.755 1.273 1.00 50.54 C ATOM 620 C ARG A 40 -9.560 4.455 2.592 1.00 64.12 C ATOM 621 O ARG A 40 -9.485 5.237 3.539 1.00 22.10 O ATOM 622 CB ARG A 40 -9.879 5.176 0.218 1.00 51.11 C ATOM 623 CG ARG A 40 -10.559 6.501 0.524 1.00 71.44 C ATOM 624 CD ARG A 40 -11.509 6.909 -0.591 1.00 54.31 C ATOM 625 NE ARG A 40 -12.396 7.996 -0.184 1.00 3.24 N ATOM 626 CZ ARG A 40 -13.427 7.835 0.638 1.00 24.24 C ATOM 627 NH1 ARG A 40 -13.699 6.637 1.138 1.00 10.43 N ATOM 628 NH2 ARG A 40 -14.187 8.873 0.962 1.00 32.34 N ATOM 0 H ARG A 40 -8.326 3.295 -0.137 1.00 14.53 H new ATOM 0 HA ARG A 40 -8.152 5.573 1.435 1.00 50.54 H new ATOM 0 HB2 ARG A 40 -9.383 5.247 -0.750 1.00 51.11 H new ATOM 0 HB3 ARG A 40 -10.639 4.399 0.131 1.00 51.11 H new ATOM 0 HG2 ARG A 40 -11.109 6.421 1.461 1.00 71.44 H new ATOM 0 HG3 ARG A 40 -9.804 7.275 0.662 1.00 71.44 H new ATOM 0 HD2 ARG A 40 -10.933 7.218 -1.463 1.00 54.31 H new ATOM 0 HD3 ARG A 40 -12.105 6.048 -0.892 1.00 54.31 H new ATOM 0 HE ARG A 40 -12.214 8.930 -0.551 1.00 3.24 H new ATOM 0 HH11 ARG A 40 -13.116 5.837 0.892 1.00 10.43 H new ATOM 0 HH12 ARG A 40 -14.491 6.516 1.769 1.00 10.43 H new ATOM 0 HH21 ARG A 40 -13.980 9.796 0.580 1.00 32.34 H new ATOM 0 HH22 ARG A 40 -14.978 8.748 1.593 1.00 32.34 H new ATOM 642 N MET A 41 -10.245 3.317 2.645 1.00 44.23 N ATOM 643 CA MET A 41 -10.963 2.913 3.848 1.00 41.52 C ATOM 644 C MET A 41 -10.049 2.960 5.068 1.00 22.41 C ATOM 645 O MET A 41 -10.423 3.486 6.116 1.00 61.32 O ATOM 646 CB MET A 41 -11.535 1.505 3.678 1.00 61.25 C ATOM 647 CG MET A 41 -12.131 0.933 4.953 1.00 31.44 C ATOM 648 SD MET A 41 -13.410 -0.297 4.632 1.00 52.12 S ATOM 649 CE MET A 41 -14.840 0.756 4.397 1.00 72.31 C ATOM 0 H MET A 41 -10.318 2.659 1.869 1.00 44.23 H new ATOM 0 HA MET A 41 -11.783 3.614 4.004 1.00 41.52 H new ATOM 0 HB2 MET A 41 -12.303 1.525 2.905 1.00 61.25 H new ATOM 0 HB3 MET A 41 -10.745 0.841 3.326 1.00 61.25 H new ATOM 0 HG2 MET A 41 -11.338 0.480 5.548 1.00 31.44 H new ATOM 0 HG3 MET A 41 -12.553 1.743 5.547 1.00 31.44 H new ATOM 0 HE1 MET A 41 -15.715 0.140 4.189 1.00 72.31 H new ATOM 0 HE2 MET A 41 -15.014 1.340 5.301 1.00 72.31 H new ATOM 0 HE3 MET A 41 -14.662 1.429 3.558 1.00 72.31 H new ATOM 659 N ALA A 42 -8.849 2.405 4.925 1.00 54.33 N ATOM 660 CA ALA A 42 -7.882 2.385 6.015 1.00 40.22 C ATOM 661 C ALA A 42 -7.448 3.798 6.390 1.00 51.11 C ATOM 662 O ALA A 42 -7.392 4.148 7.568 1.00 64.11 O ATOM 663 CB ALA A 42 -6.673 1.544 5.632 1.00 33.12 C ATOM 0 H ALA A 42 -8.524 1.964 4.065 1.00 54.33 H new ATOM 0 HA ALA A 42 -8.362 1.937 6.885 1.00 40.22 H new ATOM 0 HB1 ALA A 42 -5.959 1.538 6.455 1.00 33.12 H new ATOM 0 HB2 ALA A 42 -6.992 0.523 5.421 1.00 33.12 H new ATOM 0 HB3 ALA A 42 -6.201 1.968 4.745 1.00 33.12 H new ATOM 669 N ASN A 43 -7.142 4.606 5.380 1.00 61.12 N ATOM 670 CA ASN A 43 -6.712 5.981 5.604 1.00 5.24 C ATOM 671 C ASN A 43 -7.719 6.732 6.470 1.00 24.25 C ATOM 672 O ASN A 43 -7.349 7.604 7.257 1.00 32.31 O ATOM 673 CB ASN A 43 -6.531 6.706 4.269 1.00 64.51 C ATOM 674 CG ASN A 43 -5.078 6.771 3.839 1.00 61.54 C ATOM 675 OD1 ASN A 43 -4.307 5.841 4.075 1.00 23.40 O ATOM 676 ND2 ASN A 43 -4.698 7.873 3.203 1.00 11.02 N ATOM 0 H ASN A 43 -7.184 4.332 4.398 1.00 61.12 H new ATOM 0 HA ASN A 43 -5.756 5.955 6.128 1.00 5.24 H new ATOM 0 HB2 ASN A 43 -7.112 6.197 3.500 1.00 64.51 H new ATOM 0 HB3 ASN A 43 -6.928 7.718 4.351 1.00 64.51 H new ATOM 0 HD21 ASN A 43 -3.733 7.973 2.889 1.00 11.02 H new ATOM 0 HD22 ASN A 43 -5.371 8.619 3.029 1.00 11.02 H new ATOM 683 N VAL A 44 -8.993 6.386 6.321 1.00 54.25 N ATOM 684 CA VAL A 44 -10.054 7.025 7.090 1.00 53.53 C ATOM 685 C VAL A 44 -10.047 6.549 8.538 1.00 44.21 C ATOM 686 O VAL A 44 -9.811 7.332 9.458 1.00 15.03 O ATOM 687 CB VAL A 44 -11.439 6.746 6.476 1.00 31.42 C ATOM 688 CG1 VAL A 44 -12.512 7.557 7.187 1.00 60.42 C ATOM 689 CG2 VAL A 44 -11.431 7.047 4.985 1.00 35.21 C ATOM 0 H VAL A 44 -9.316 5.666 5.674 1.00 54.25 H new ATOM 0 HA VAL A 44 -9.862 8.098 7.062 1.00 53.53 H new ATOM 0 HB VAL A 44 -11.670 5.689 6.608 1.00 31.42 H new ATOM 0 HG11 VAL A 44 -13.483 7.347 6.739 1.00 60.42 H new ATOM 0 HG12 VAL A 44 -12.533 7.287 8.243 1.00 60.42 H new ATOM 0 HG13 VAL A 44 -12.290 8.620 7.089 1.00 60.42 H new ATOM 0 HG21 VAL A 44 -12.417 6.844 4.568 1.00 35.21 H new ATOM 0 HG22 VAL A 44 -11.178 8.095 4.827 1.00 35.21 H new ATOM 0 HG23 VAL A 44 -10.691 6.417 4.491 1.00 35.21 H new ATOM 699 N SER A 45 -10.305 5.260 8.733 1.00 62.05 N ATOM 700 CA SER A 45 -10.331 4.679 10.070 1.00 61.03 C ATOM 701 C SER A 45 -9.037 4.981 10.819 1.00 45.33 C ATOM 702 O SER A 45 -9.020 5.063 12.047 1.00 12.24 O ATOM 703 CB SER A 45 -10.544 3.166 9.987 1.00 15.35 C ATOM 704 OG SER A 45 -11.365 2.826 8.883 1.00 45.41 O ATOM 0 H SER A 45 -10.499 4.598 7.982 1.00 62.05 H new ATOM 0 HA SER A 45 -11.160 5.127 10.618 1.00 61.03 H new ATOM 0 HB2 SER A 45 -9.581 2.665 9.896 1.00 15.35 H new ATOM 0 HB3 SER A 45 -11.003 2.809 10.909 1.00 15.35 H new ATOM 0 HG SER A 45 -11.484 1.854 8.851 1.00 45.41 H new ATOM 710 N THR A 46 -7.951 5.146 10.069 1.00 10.41 N ATOM 711 CA THR A 46 -6.651 5.438 10.660 1.00 12.40 C ATOM 712 C THR A 46 -6.093 6.757 10.136 1.00 23.44 C ATOM 713 O THR A 46 -4.923 6.842 9.765 1.00 52.44 O ATOM 714 CB THR A 46 -5.638 4.314 10.372 1.00 11.34 C ATOM 715 OG1 THR A 46 -5.231 4.361 9.000 1.00 20.04 O ATOM 716 CG2 THR A 46 -6.239 2.952 10.682 1.00 33.32 C ATOM 0 H THR A 46 -7.947 5.082 9.051 1.00 10.41 H new ATOM 0 HA THR A 46 -6.802 5.513 11.737 1.00 12.40 H new ATOM 0 HB THR A 46 -4.769 4.464 11.013 1.00 11.34 H new ATOM 0 HG1 THR A 46 -5.904 3.916 8.444 1.00 20.04 H new ATOM 0 HG21 THR A 46 -5.505 2.174 10.471 1.00 33.32 H new ATOM 0 HG22 THR A 46 -6.521 2.909 11.734 1.00 33.32 H new ATOM 0 HG23 THR A 46 -7.123 2.795 10.063 1.00 33.32 H new ATOM 851 N THR A 56 6.002 5.809 2.592 1.00 62.44 N ATOM 852 CA THR A 56 6.970 5.018 3.341 1.00 4.11 C ATOM 853 C THR A 56 6.382 3.674 3.753 1.00 73.31 C ATOM 854 O THR A 56 5.338 3.615 4.404 1.00 20.35 O ATOM 855 CB THR A 56 7.449 5.764 4.601 1.00 22.42 C ATOM 856 OG1 THR A 56 6.413 5.771 5.590 1.00 60.25 O ATOM 857 CG2 THR A 56 7.847 7.193 4.266 1.00 50.12 C ATOM 0 HA THR A 56 7.821 4.851 2.680 1.00 4.11 H new ATOM 0 HB THR A 56 8.322 5.244 4.994 1.00 22.42 H new ATOM 0 HG1 THR A 56 6.814 5.770 6.484 1.00 60.25 H new ATOM 0 HG21 THR A 56 8.182 7.699 5.171 1.00 50.12 H new ATOM 0 HG22 THR A 56 8.656 7.184 3.535 1.00 50.12 H new ATOM 0 HG23 THR A 56 6.989 7.722 3.851 1.00 50.12 H new ATOM 865 N LEU A 57 7.057 2.595 3.370 1.00 14.50 N ATOM 866 CA LEU A 57 6.600 1.250 3.701 1.00 63.25 C ATOM 867 C LEU A 57 6.384 1.102 5.203 1.00 14.11 C ATOM 868 O LEU A 57 5.558 0.303 5.646 1.00 41.03 O ATOM 869 CB LEU A 57 7.615 0.213 3.216 1.00 73.44 C ATOM 870 CG LEU A 57 7.344 -0.399 1.840 1.00 3.34 C ATOM 871 CD1 LEU A 57 8.509 -1.276 1.408 1.00 52.01 C ATOM 872 CD2 LEU A 57 6.050 -1.198 1.857 1.00 35.13 C ATOM 0 H LEU A 57 7.922 2.626 2.830 1.00 14.50 H new ATOM 0 HA LEU A 57 5.648 1.082 3.198 1.00 63.25 H new ATOM 0 HB2 LEU A 57 8.600 0.679 3.196 1.00 73.44 H new ATOM 0 HB3 LEU A 57 7.659 -0.593 3.948 1.00 73.44 H new ATOM 0 HG LEU A 57 7.238 0.410 1.118 1.00 3.34 H new ATOM 0 HD11 LEU A 57 8.299 -1.703 0.427 1.00 52.01 H new ATOM 0 HD12 LEU A 57 9.417 -0.675 1.355 1.00 52.01 H new ATOM 0 HD13 LEU A 57 8.647 -2.080 2.131 1.00 52.01 H new ATOM 0 HD21 LEU A 57 5.874 -1.626 0.870 1.00 35.13 H new ATOM 0 HD22 LEU A 57 6.127 -2.000 2.592 1.00 35.13 H new ATOM 0 HD23 LEU A 57 5.221 -0.542 2.122 1.00 35.13 H new ATOM 884 N ASP A 58 7.128 1.879 5.982 1.00 23.31 N ATOM 885 CA ASP A 58 7.015 1.837 7.435 1.00 25.15 C ATOM 886 C ASP A 58 5.655 2.356 7.890 1.00 72.40 C ATOM 887 O ASP A 58 4.969 1.713 8.684 1.00 23.43 O ATOM 888 CB ASP A 58 8.131 2.662 8.079 1.00 52.42 C ATOM 889 CG ASP A 58 8.515 2.146 9.452 1.00 51.24 C ATOM 890 OD1 ASP A 58 7.603 1.892 10.267 1.00 62.34 O ATOM 891 OD2 ASP A 58 9.727 1.996 9.711 1.00 60.03 O ATOM 0 H ASP A 58 7.816 2.546 5.632 1.00 23.31 H new ATOM 0 HA ASP A 58 7.112 0.799 7.752 1.00 25.15 H new ATOM 0 HB2 ASP A 58 9.008 2.650 7.431 1.00 52.42 H new ATOM 0 HB3 ASP A 58 7.810 3.700 8.161 1.00 52.42 H new ATOM 896 N GLN A 59 5.272 3.522 7.381 1.00 11.33 N ATOM 897 CA GLN A 59 3.994 4.128 7.737 1.00 71.41 C ATOM 898 C GLN A 59 2.832 3.230 7.323 1.00 45.34 C ATOM 899 O GLN A 59 1.896 3.014 8.093 1.00 70.41 O ATOM 900 CB GLN A 59 3.854 5.500 7.076 1.00 4.23 C ATOM 901 CG GLN A 59 4.660 6.591 7.763 1.00 25.32 C ATOM 902 CD GLN A 59 3.833 7.398 8.744 1.00 2.00 C ATOM 903 OE1 GLN A 59 3.353 6.873 9.749 1.00 60.42 O ATOM 904 NE2 GLN A 59 3.662 8.683 8.457 1.00 2.33 N ATOM 0 H GLN A 59 5.828 4.066 6.721 1.00 11.33 H new ATOM 0 HA GLN A 59 3.968 4.250 8.820 1.00 71.41 H new ATOM 0 HB2 GLN A 59 4.170 5.427 6.035 1.00 4.23 H new ATOM 0 HB3 GLN A 59 2.802 5.786 7.070 1.00 4.23 H new ATOM 0 HG2 GLN A 59 5.501 6.139 8.288 1.00 25.32 H new ATOM 0 HG3 GLN A 59 5.076 7.259 7.009 1.00 25.32 H new ATOM 0 HE21 GLN A 59 4.078 9.077 7.613 1.00 2.33 H new ATOM 0 HE22 GLN A 59 3.115 9.276 9.081 1.00 2.33 H new ATOM 913 N LEU A 60 2.899 2.711 6.102 1.00 40.03 N ATOM 914 CA LEU A 60 1.852 1.837 5.584 1.00 23.40 C ATOM 915 C LEU A 60 1.800 0.528 6.366 1.00 60.12 C ATOM 916 O LEU A 60 0.742 0.124 6.850 1.00 44.32 O ATOM 917 CB LEU A 60 2.089 1.548 4.100 1.00 14.54 C ATOM 918 CG LEU A 60 1.039 0.676 3.411 1.00 41.24 C ATOM 919 CD1 LEU A 60 0.116 1.529 2.554 1.00 32.31 C ATOM 920 CD2 LEU A 60 1.710 -0.399 2.568 1.00 55.01 C ATOM 0 H LEU A 60 3.667 2.880 5.452 1.00 40.03 H new ATOM 0 HA LEU A 60 0.896 2.348 5.700 1.00 23.40 H new ATOM 0 HB2 LEU A 60 2.148 2.499 3.570 1.00 14.54 H new ATOM 0 HB3 LEU A 60 3.060 1.064 3.995 1.00 14.54 H new ATOM 0 HG LEU A 60 0.439 0.187 4.179 1.00 41.24 H new ATOM 0 HD11 LEU A 60 -0.625 0.891 2.071 1.00 32.31 H new ATOM 0 HD12 LEU A 60 -0.390 2.262 3.183 1.00 32.31 H new ATOM 0 HD13 LEU A 60 0.701 2.046 1.793 1.00 32.31 H new ATOM 0 HD21 LEU A 60 0.948 -1.011 2.085 1.00 55.01 H new ATOM 0 HD22 LEU A 60 2.334 0.071 1.808 1.00 55.01 H new ATOM 0 HD23 LEU A 60 2.329 -1.029 3.207 1.00 55.01 H new ATOM 932 N ARG A 61 2.949 -0.129 6.487 1.00 72.30 N ATOM 933 CA ARG A 61 3.034 -1.392 7.211 1.00 0.21 C ATOM 934 C ARG A 61 2.427 -1.261 8.605 1.00 61.10 C ATOM 935 O ARG A 61 1.838 -2.208 9.129 1.00 41.33 O ATOM 936 CB ARG A 61 4.491 -1.846 7.318 1.00 0.51 C ATOM 937 CG ARG A 61 4.662 -3.189 8.009 1.00 55.40 C ATOM 938 CD ARG A 61 5.956 -3.245 8.805 1.00 63.45 C ATOM 939 NE ARG A 61 5.784 -3.930 10.083 1.00 15.41 N ATOM 940 CZ ARG A 61 5.204 -3.374 11.141 1.00 34.23 C ATOM 941 NH1 ARG A 61 4.743 -2.133 11.074 1.00 52.14 N ATOM 942 NH2 ARG A 61 5.083 -4.061 12.270 1.00 22.12 N ATOM 0 H ARG A 61 3.833 0.192 6.093 1.00 72.30 H new ATOM 0 HA ARG A 61 2.468 -2.140 6.655 1.00 0.21 H new ATOM 0 HB2 ARG A 61 4.919 -1.905 6.317 1.00 0.51 H new ATOM 0 HB3 ARG A 61 5.059 -1.092 7.863 1.00 0.51 H new ATOM 0 HG2 ARG A 61 3.817 -3.368 8.674 1.00 55.40 H new ATOM 0 HG3 ARG A 61 4.656 -3.986 7.265 1.00 55.40 H new ATOM 0 HD2 ARG A 61 6.720 -3.757 8.219 1.00 63.45 H new ATOM 0 HD3 ARG A 61 6.316 -2.232 8.983 1.00 63.45 H new ATOM 0 HE ARG A 61 6.128 -4.887 10.168 1.00 15.41 H new ATOM 0 HH11 ARG A 61 4.833 -1.602 10.208 1.00 52.14 H new ATOM 0 HH12 ARG A 61 4.298 -1.710 11.888 1.00 52.14 H new ATOM 0 HH21 ARG A 61 5.435 -5.017 12.326 1.00 22.12 H new ATOM 0 HH22 ARG A 61 4.638 -3.633 13.082 1.00 22.12 H new ATOM 956 N LEU A 62 2.575 -0.083 9.201 1.00 62.12 N ATOM 957 CA LEU A 62 2.042 0.172 10.535 1.00 43.03 C ATOM 958 C LEU A 62 0.519 0.237 10.509 1.00 35.40 C ATOM 959 O LEU A 62 -0.154 -0.394 11.325 1.00 60.12 O ATOM 960 CB LEU A 62 2.610 1.479 11.091 1.00 62.11 C ATOM 961 CG LEU A 62 1.992 1.977 12.398 1.00 62.21 C ATOM 962 CD1 LEU A 62 2.209 0.964 13.511 1.00 23.40 C ATOM 963 CD2 LEU A 62 2.576 3.328 12.783 1.00 0.30 C ATOM 0 H LEU A 62 3.060 0.711 8.782 1.00 62.12 H new ATOM 0 HA LEU A 62 2.341 -0.652 11.183 1.00 43.03 H new ATOM 0 HB2 LEU A 62 3.681 1.350 11.245 1.00 62.11 H new ATOM 0 HB3 LEU A 62 2.488 2.255 10.336 1.00 62.11 H new ATOM 0 HG LEU A 62 0.919 2.097 12.248 1.00 62.21 H new ATOM 0 HD11 LEU A 62 1.763 1.336 14.433 1.00 23.40 H new ATOM 0 HD12 LEU A 62 1.743 0.018 13.238 1.00 23.40 H new ATOM 0 HD13 LEU A 62 3.278 0.812 13.661 1.00 23.40 H new ATOM 0 HD21 LEU A 62 2.125 3.667 13.715 1.00 0.30 H new ATOM 0 HD22 LEU A 62 3.654 3.234 12.915 1.00 0.30 H new ATOM 0 HD23 LEU A 62 2.368 4.052 11.995 1.00 0.30 H new ATOM 975 N VAL A 63 -0.020 1.002 9.565 1.00 35.02 N ATOM 976 CA VAL A 63 -1.465 1.147 9.431 1.00 70.54 C ATOM 977 C VAL A 63 -2.136 -0.207 9.225 1.00 41.10 C ATOM 978 O VAL A 63 -3.272 -0.419 9.650 1.00 10.31 O ATOM 979 CB VAL A 63 -1.829 2.072 8.254 1.00 33.33 C ATOM 980 CG1 VAL A 63 -3.339 2.194 8.119 1.00 74.03 C ATOM 981 CG2 VAL A 63 -1.190 3.440 8.435 1.00 25.03 C ATOM 0 H VAL A 63 0.522 1.531 8.882 1.00 35.02 H new ATOM 0 HA VAL A 63 -1.826 1.591 10.358 1.00 70.54 H new ATOM 0 HB VAL A 63 -1.440 1.633 7.335 1.00 33.33 H new ATOM 0 HG11 VAL A 63 -3.578 2.851 7.283 1.00 74.03 H new ATOM 0 HG12 VAL A 63 -3.769 1.209 7.940 1.00 74.03 H new ATOM 0 HG13 VAL A 63 -3.754 2.610 9.037 1.00 74.03 H new ATOM 0 HG21 VAL A 63 -1.458 4.081 7.595 1.00 25.03 H new ATOM 0 HG22 VAL A 63 -1.548 3.889 9.362 1.00 25.03 H new ATOM 0 HG23 VAL A 63 -0.106 3.332 8.479 1.00 25.03 H new ATOM 991 N ILE A 64 -1.426 -1.120 8.571 1.00 3.11 N ATOM 992 CA ILE A 64 -1.952 -2.454 8.311 1.00 51.14 C ATOM 993 C ILE A 64 -2.059 -3.264 9.598 1.00 14.43 C ATOM 994 O ILE A 64 -3.144 -3.711 9.974 1.00 63.24 O ATOM 995 CB ILE A 64 -1.071 -3.221 7.307 1.00 3.21 C ATOM 996 CG1 ILE A 64 -0.971 -2.450 5.989 1.00 12.12 C ATOM 997 CG2 ILE A 64 -1.629 -4.616 7.070 1.00 32.01 C ATOM 998 CD1 ILE A 64 0.195 -2.878 5.126 1.00 54.35 C ATOM 0 H ILE A 64 -0.485 -0.960 8.212 1.00 3.11 H new ATOM 0 HA ILE A 64 -2.946 -2.323 7.884 1.00 51.14 H new ATOM 0 HB ILE A 64 -0.069 -3.318 7.726 1.00 3.21 H new ATOM 0 HG12 ILE A 64 -1.896 -2.584 5.428 1.00 12.12 H new ATOM 0 HG13 ILE A 64 -0.881 -1.386 6.206 1.00 12.12 H new ATOM 0 HG21 ILE A 64 -0.995 -5.145 6.358 1.00 32.01 H new ATOM 0 HG22 ILE A 64 -1.652 -5.164 8.012 1.00 32.01 H new ATOM 0 HG23 ILE A 64 -2.640 -4.540 6.669 1.00 32.01 H new ATOM 0 HD11 ILE A 64 0.204 -2.290 4.208 1.00 54.35 H new ATOM 0 HD12 ILE A 64 1.127 -2.718 5.668 1.00 54.35 H new ATOM 0 HD13 ILE A 64 0.096 -3.935 4.878 1.00 54.35 H new ATOM 1010 N CYS A 65 -0.929 -3.446 10.271 1.00 30.44 N ATOM 1011 CA CYS A 65 -0.896 -4.202 11.519 1.00 45.31 C ATOM 1012 C CYS A 65 -1.734 -3.515 12.593 1.00 64.44 C ATOM 1013 O CYS A 65 -2.231 -4.163 13.514 1.00 54.12 O ATOM 1014 CB CYS A 65 0.546 -4.361 12.004 1.00 10.03 C ATOM 1015 SG CYS A 65 1.303 -2.825 12.586 1.00 60.41 S ATOM 0 H CYS A 65 -0.024 -3.081 9.975 1.00 30.44 H new ATOM 0 HA CYS A 65 -1.319 -5.188 11.330 1.00 45.31 H new ATOM 0 HB2 CYS A 65 0.568 -5.093 12.811 1.00 10.03 H new ATOM 0 HB3 CYS A 65 1.149 -4.765 11.191 1.00 10.03 H new ATOM 0 HG CYS A 65 0.690 -1.810 12.053 1.00 60.41 H new ATOM 1021 N ASP A 66 -1.884 -2.201 12.468 1.00 20.42 N ATOM 1022 CA ASP A 66 -2.661 -1.426 13.428 1.00 33.53 C ATOM 1023 C ASP A 66 -4.157 -1.606 13.188 1.00 60.31 C ATOM 1024 O ASP A 66 -4.894 -2.030 14.080 1.00 44.52 O ATOM 1025 CB ASP A 66 -2.292 0.055 13.338 1.00 11.04 C ATOM 1026 CG ASP A 66 -3.205 0.931 14.174 1.00 24.12 C ATOM 1027 OD1 ASP A 66 -3.780 0.420 15.158 1.00 73.01 O ATOM 1028 OD2 ASP A 66 -3.342 2.127 13.845 1.00 15.42 O ATOM 0 H ASP A 66 -1.478 -1.650 11.711 1.00 20.42 H new ATOM 0 HA ASP A 66 -2.425 -1.791 14.428 1.00 33.53 H new ATOM 0 HB2 ASP A 66 -1.262 0.190 13.667 1.00 11.04 H new ATOM 0 HB3 ASP A 66 -2.339 0.376 12.297 1.00 11.04 H new ATOM 1033 N LEU A 67 -4.600 -1.281 11.978 1.00 23.23 N ATOM 1034 CA LEU A 67 -6.008 -1.406 11.620 1.00 14.32 C ATOM 1035 C LEU A 67 -6.463 -2.860 11.695 1.00 1.23 C ATOM 1036 O LEU A 67 -7.617 -3.143 12.016 1.00 3.11 O ATOM 1037 CB LEU A 67 -6.247 -0.857 10.213 1.00 55.34 C ATOM 1038 CG LEU A 67 -7.589 -1.214 9.572 1.00 51.22 C ATOM 1039 CD1 LEU A 67 -8.164 -0.015 8.834 1.00 40.14 C ATOM 1040 CD2 LEU A 67 -7.432 -2.398 8.629 1.00 45.31 C ATOM 0 H LEU A 67 -4.004 -0.929 11.229 1.00 23.23 H new ATOM 0 HA LEU A 67 -6.592 -0.825 12.334 1.00 14.32 H new ATOM 0 HB2 LEU A 67 -6.162 0.229 10.249 1.00 55.34 H new ATOM 0 HB3 LEU A 67 -5.449 -1.218 9.564 1.00 55.34 H new ATOM 0 HG LEU A 67 -8.284 -1.495 10.363 1.00 51.22 H new ATOM 0 HD11 LEU A 67 -9.119 -0.288 8.384 1.00 40.14 H new ATOM 0 HD12 LEU A 67 -8.315 0.806 9.535 1.00 40.14 H new ATOM 0 HD13 LEU A 67 -7.471 0.298 8.053 1.00 40.14 H new ATOM 0 HD21 LEU A 67 -8.397 -2.638 8.182 1.00 45.31 H new ATOM 0 HD22 LEU A 67 -6.721 -2.145 7.843 1.00 45.31 H new ATOM 0 HD23 LEU A 67 -7.066 -3.260 9.186 1.00 45.31 H new ATOM 1052 N GLN A 68 -5.547 -3.777 11.399 1.00 13.42 N ATOM 1053 CA GLN A 68 -5.854 -5.202 11.435 1.00 54.51 C ATOM 1054 C GLN A 68 -5.944 -5.703 12.872 1.00 23.34 C ATOM 1055 O GLN A 68 -6.812 -6.509 13.205 1.00 13.31 O ATOM 1056 CB GLN A 68 -4.792 -5.993 10.671 1.00 63.11 C ATOM 1057 CG GLN A 68 -5.052 -7.490 10.642 1.00 74.54 C ATOM 1058 CD GLN A 68 -4.405 -8.218 11.803 1.00 64.40 C ATOM 1059 OE1 GLN A 68 -5.090 -8.768 12.666 1.00 22.00 O ATOM 1060 NE2 GLN A 68 -3.077 -8.226 11.831 1.00 70.33 N ATOM 0 H GLN A 68 -4.587 -3.559 11.132 1.00 13.42 H new ATOM 0 HA GLN A 68 -6.822 -5.352 10.957 1.00 54.51 H new ATOM 0 HB2 GLN A 68 -4.741 -5.622 9.647 1.00 63.11 H new ATOM 0 HB3 GLN A 68 -3.818 -5.811 11.125 1.00 63.11 H new ATOM 0 HG2 GLN A 68 -6.127 -7.668 10.660 1.00 74.54 H new ATOM 0 HG3 GLN A 68 -4.676 -7.902 9.705 1.00 74.54 H new ATOM 0 HE21 GLN A 68 -2.549 -7.757 11.095 1.00 70.33 H new ATOM 0 HE22 GLN A 68 -2.586 -8.701 12.588 1.00 70.33 H new ATOM 1069 N GLU A 69 -5.039 -5.222 13.719 1.00 12.24 N ATOM 1070 CA GLU A 69 -5.016 -5.623 15.121 1.00 72.40 C ATOM 1071 C GLU A 69 -6.326 -5.259 15.813 1.00 14.40 C ATOM 1072 O GLU A 69 -6.880 -6.052 16.575 1.00 52.25 O ATOM 1073 CB GLU A 69 -3.842 -4.961 15.845 1.00 15.32 C ATOM 1074 CG GLU A 69 -2.585 -5.813 15.873 1.00 42.14 C ATOM 1075 CD GLU A 69 -1.388 -5.069 16.432 1.00 10.25 C ATOM 1076 OE1 GLU A 69 -1.315 -4.909 17.669 1.00 20.10 O ATOM 1077 OE2 GLU A 69 -0.525 -4.646 15.635 1.00 32.10 O ATOM 0 H GLU A 69 -4.313 -4.555 13.459 1.00 12.24 H new ATOM 0 HA GLU A 69 -4.893 -6.705 15.160 1.00 72.40 H new ATOM 0 HB2 GLU A 69 -3.616 -4.011 15.360 1.00 15.32 H new ATOM 0 HB3 GLU A 69 -4.139 -4.733 16.869 1.00 15.32 H new ATOM 0 HG2 GLU A 69 -2.768 -6.704 16.474 1.00 42.14 H new ATOM 0 HG3 GLU A 69 -2.358 -6.152 14.862 1.00 42.14 H new ATOM 1084 N ARG A 70 -6.816 -4.053 15.543 1.00 42.11 N ATOM 1085 CA ARG A 70 -8.059 -3.582 16.140 1.00 13.33 C ATOM 1086 C ARG A 70 -9.255 -4.352 15.587 1.00 44.24 C ATOM 1087 O ARG A 70 -10.027 -4.945 16.340 1.00 4.23 O ATOM 1088 CB ARG A 70 -8.239 -2.085 15.881 1.00 13.33 C ATOM 1089 CG ARG A 70 -7.289 -1.210 16.682 1.00 13.54 C ATOM 1090 CD ARG A 70 -7.136 0.167 16.054 1.00 33.12 C ATOM 1091 NE ARG A 70 -8.154 1.101 16.528 1.00 72.12 N ATOM 1092 CZ ARG A 70 -8.062 2.419 16.393 1.00 5.22 C ATOM 1093 NH1 ARG A 70 -7.003 2.956 15.802 1.00 71.32 N ATOM 1094 NH2 ARG A 70 -9.029 3.204 16.850 1.00 33.41 N ATOM 0 H ARG A 70 -6.370 -3.385 14.914 1.00 42.11 H new ATOM 0 HA ARG A 70 -8.004 -3.754 17.215 1.00 13.33 H new ATOM 0 HB2 ARG A 70 -8.092 -1.888 14.819 1.00 13.33 H new ATOM 0 HB3 ARG A 70 -9.265 -1.805 16.118 1.00 13.33 H new ATOM 0 HG2 ARG A 70 -7.660 -1.107 17.702 1.00 13.54 H new ATOM 0 HG3 ARG A 70 -6.314 -1.693 16.745 1.00 13.54 H new ATOM 0 HD2 ARG A 70 -6.146 0.562 16.284 1.00 33.12 H new ATOM 0 HD3 ARG A 70 -7.201 0.080 14.969 1.00 33.12 H new ATOM 0 HE ARG A 70 -8.981 0.720 16.988 1.00 72.12 H new ATOM 0 HH11 ARG A 70 -6.257 2.356 15.450 1.00 71.32 H new ATOM 0 HH12 ARG A 70 -6.935 3.969 15.700 1.00 71.32 H new ATOM 0 HH21 ARG A 70 -9.845 2.795 17.306 1.00 33.41 H new ATOM 0 HH22 ARG A 70 -8.957 4.216 16.745 1.00 33.41 H new ATOM 1108 N ARG A 71 -9.401 -4.338 14.266 1.00 42.42 N ATOM 1109 CA ARG A 71 -10.503 -5.033 13.611 1.00 4.15 C ATOM 1110 C ARG A 71 -10.532 -6.504 14.014 1.00 35.42 C ATOM 1111 O ARG A 71 -11.593 -7.056 14.306 1.00 51.04 O ATOM 1112 CB ARG A 71 -10.379 -4.911 12.091 1.00 35.45 C ATOM 1113 CG ARG A 71 -10.549 -3.491 11.578 1.00 13.12 C ATOM 1114 CD ARG A 71 -12.008 -3.062 11.598 1.00 32.04 C ATOM 1115 NE ARG A 71 -12.155 -1.633 11.859 1.00 1.43 N ATOM 1116 CZ ARG A 71 -13.329 -1.018 11.947 1.00 34.44 C ATOM 1117 NH1 ARG A 71 -14.453 -1.705 11.797 1.00 74.24 N ATOM 1118 NH2 ARG A 71 -13.381 0.286 12.187 1.00 32.32 N ATOM 0 H ARG A 71 -8.770 -3.853 13.628 1.00 42.42 H new ATOM 0 HA ARG A 71 -11.436 -4.568 13.930 1.00 4.15 H new ATOM 0 HB2 ARG A 71 -9.402 -5.285 11.784 1.00 35.45 H new ATOM 0 HB3 ARG A 71 -11.127 -5.550 11.622 1.00 35.45 H new ATOM 0 HG2 ARG A 71 -9.960 -2.809 12.191 1.00 13.12 H new ATOM 0 HG3 ARG A 71 -10.162 -3.422 10.561 1.00 13.12 H new ATOM 0 HD2 ARG A 71 -12.470 -3.305 10.641 1.00 32.04 H new ATOM 0 HD3 ARG A 71 -12.541 -3.627 12.363 1.00 32.04 H new ATOM 0 HE ARG A 71 -11.309 -1.076 11.981 1.00 1.43 H new ATOM 0 HH11 ARG A 71 -14.417 -2.708 11.614 1.00 74.24 H new ATOM 0 HH12 ARG A 71 -15.353 -1.231 11.865 1.00 74.24 H new ATOM 0 HH21 ARG A 71 -12.519 0.818 12.304 1.00 32.32 H new ATOM 0 HH22 ARG A 71 -14.283 0.757 12.254 1.00 32.32 H new ATOM 1132 N GLU A 72 -9.361 -7.133 14.027 1.00 32.11 N ATOM 1133 CA GLU A 72 -9.255 -8.541 14.393 1.00 44.34 C ATOM 1134 C GLU A 72 -9.801 -8.781 15.797 1.00 5.12 C ATOM 1135 O GLU A 72 -10.607 -9.685 16.016 1.00 21.14 O ATOM 1136 CB GLU A 72 -7.798 -9.002 14.314 1.00 42.00 C ATOM 1137 CG GLU A 72 -7.611 -10.481 14.606 1.00 31.34 C ATOM 1138 CD GLU A 72 -6.351 -10.764 15.401 1.00 60.52 C ATOM 1139 OE1 GLU A 72 -6.349 -10.502 16.622 1.00 63.01 O ATOM 1140 OE2 GLU A 72 -5.368 -11.248 14.802 1.00 4.12 O ATOM 0 H GLU A 72 -8.473 -6.691 13.789 1.00 32.11 H new ATOM 0 HA GLU A 72 -9.851 -9.120 13.687 1.00 44.34 H new ATOM 0 HB2 GLU A 72 -7.411 -8.785 13.319 1.00 42.00 H new ATOM 0 HB3 GLU A 72 -7.204 -8.423 15.021 1.00 42.00 H new ATOM 0 HG2 GLU A 72 -8.475 -10.851 15.158 1.00 31.34 H new ATOM 0 HG3 GLU A 72 -7.574 -11.031 13.666 1.00 31.34 H new ATOM 1147 N LYS A 73 -9.355 -7.965 16.746 1.00 24.04 N ATOM 1148 CA LYS A 73 -9.797 -8.086 18.130 1.00 32.33 C ATOM 1149 C LYS A 73 -11.319 -8.040 18.221 1.00 72.32 C ATOM 1150 O LYS A 73 -11.928 -8.783 18.991 1.00 1.25 O ATOM 1151 CB LYS A 73 -9.191 -6.968 18.981 1.00 11.11 C ATOM 1152 CG LYS A 73 -9.399 -7.158 20.474 1.00 63.54 C ATOM 1153 CD LYS A 73 -10.282 -6.069 21.057 1.00 11.43 C ATOM 1154 CE LYS A 73 -10.674 -6.378 22.494 1.00 25.41 C ATOM 1155 NZ LYS A 73 -12.134 -6.200 22.722 1.00 74.53 N ATOM 0 H LYS A 73 -8.687 -7.212 16.582 1.00 24.04 H new ATOM 0 HA LYS A 73 -9.456 -9.049 18.511 1.00 32.33 H new ATOM 0 HB2 LYS A 73 -8.122 -6.906 18.777 1.00 11.11 H new ATOM 0 HB3 LYS A 73 -9.629 -6.016 18.680 1.00 11.11 H new ATOM 0 HG2 LYS A 73 -9.852 -8.132 20.658 1.00 63.54 H new ATOM 0 HG3 LYS A 73 -8.434 -7.155 20.980 1.00 63.54 H new ATOM 0 HD2 LYS A 73 -9.757 -5.115 21.019 1.00 11.43 H new ATOM 0 HD3 LYS A 73 -11.180 -5.963 20.449 1.00 11.43 H new ATOM 0 HE2 LYS A 73 -10.391 -7.403 22.735 1.00 25.41 H new ATOM 0 HE3 LYS A 73 -10.119 -5.727 23.170 1.00 25.41 H new ATOM 0 HZ1 LYS A 73 -12.360 -6.420 23.713 1.00 74.53 H new ATOM 0 HZ2 LYS A 73 -12.400 -5.216 22.517 1.00 74.53 H new ATOM 0 HZ3 LYS A 73 -12.664 -6.839 22.096 1.00 74.53 H new ATOM 1169 N PHE A 74 -11.928 -7.165 17.428 1.00 53.02 N ATOM 1170 CA PHE A 74 -13.380 -7.023 17.418 1.00 4.13 C ATOM 1171 C PHE A 74 -14.035 -8.187 16.681 1.00 52.22 C ATOM 1172 O PHE A 74 -15.186 -8.533 16.943 1.00 12.11 O ATOM 1173 CB PHE A 74 -13.779 -5.699 16.763 1.00 34.22 C ATOM 1174 CG PHE A 74 -14.829 -4.945 17.528 1.00 52.10 C ATOM 1175 CD1 PHE A 74 -16.175 -5.187 17.306 1.00 72.51 C ATOM 1176 CD2 PHE A 74 -14.470 -3.994 18.469 1.00 11.23 C ATOM 1177 CE1 PHE A 74 -17.143 -4.494 18.008 1.00 71.13 C ATOM 1178 CE2 PHE A 74 -15.434 -3.298 19.175 1.00 43.44 C ATOM 1179 CZ PHE A 74 -16.772 -3.549 18.944 1.00 0.10 C ATOM 0 H PHE A 74 -11.439 -6.543 16.784 1.00 53.02 H new ATOM 0 HA PHE A 74 -13.728 -7.029 18.451 1.00 4.13 H new ATOM 0 HB2 PHE A 74 -12.894 -5.071 16.662 1.00 34.22 H new ATOM 0 HB3 PHE A 74 -14.146 -5.897 15.756 1.00 34.22 H new ATOM 0 HD1 PHE A 74 -16.471 -5.926 16.576 1.00 72.51 H new ATOM 0 HD2 PHE A 74 -13.425 -3.794 18.653 1.00 11.23 H new ATOM 0 HE1 PHE A 74 -18.189 -4.691 17.825 1.00 71.13 H new ATOM 0 HE2 PHE A 74 -15.141 -2.559 19.906 1.00 43.44 H new ATOM 0 HZ PHE A 74 -17.527 -3.007 19.494 1.00 0.10 H new ATOM 1189 N GLY A 75 -13.293 -8.787 15.755 1.00 4.12 N ATOM 1190 CA GLY A 75 -13.818 -9.905 14.993 1.00 44.40 C ATOM 1191 C GLY A 75 -13.124 -10.071 13.656 1.00 63.43 C ATOM 1192 O GLY A 75 -12.099 -9.440 13.397 1.00 21.15 O ATOM 0 H GLY A 75 -12.338 -8.519 15.519 1.00 4.12 H new ATOM 0 HA2 GLY A 75 -13.706 -10.821 15.573 1.00 44.40 H new ATOM 0 HA3 GLY A 75 -14.886 -9.760 14.829 1.00 44.40 H new ATOM 1196 N SER A 76 -13.682 -10.925 12.803 1.00 21.14 N ATOM 1197 CA SER A 76 -13.107 -11.177 11.487 1.00 22.44 C ATOM 1198 C SER A 76 -14.181 -11.123 10.406 1.00 73.24 C ATOM 1199 O SER A 76 -15.251 -11.715 10.548 1.00 15.50 O ATOM 1200 CB SER A 76 -12.412 -12.540 11.464 1.00 44.01 C ATOM 1201 OG SER A 76 -13.041 -13.449 12.350 1.00 73.11 O ATOM 0 H SER A 76 -14.532 -11.454 13.000 1.00 21.14 H new ATOM 0 HA SER A 76 -12.372 -10.398 11.283 1.00 22.44 H new ATOM 0 HB2 SER A 76 -12.430 -12.943 10.452 1.00 44.01 H new ATOM 0 HB3 SER A 76 -11.365 -12.422 11.742 1.00 44.01 H new ATOM 0 HG SER A 76 -12.579 -14.313 12.315 1.00 73.11 H new ATOM 1207 N SER A 77 -13.887 -10.409 9.324 1.00 74.24 N ATOM 1208 CA SER A 77 -14.829 -10.274 8.218 1.00 3.33 C ATOM 1209 C SER A 77 -14.093 -10.202 6.884 1.00 41.52 C ATOM 1210 O SER A 77 -12.988 -9.666 6.799 1.00 44.24 O ATOM 1211 CB SER A 77 -15.692 -9.024 8.406 1.00 63.41 C ATOM 1212 OG SER A 77 -15.115 -7.904 7.757 1.00 33.21 O ATOM 0 H SER A 77 -13.005 -9.915 9.189 1.00 74.24 H new ATOM 0 HA SER A 77 -15.473 -11.154 8.211 1.00 3.33 H new ATOM 0 HB2 SER A 77 -16.691 -9.204 8.008 1.00 63.41 H new ATOM 0 HB3 SER A 77 -15.806 -8.813 9.469 1.00 63.41 H new ATOM 0 HG SER A 77 -15.686 -7.119 7.890 1.00 33.21 H new ATOM 1218 N LYS A 78 -14.714 -10.745 5.843 1.00 71.43 N ATOM 1219 CA LYS A 78 -14.121 -10.743 4.511 1.00 73.14 C ATOM 1220 C LYS A 78 -13.695 -9.335 4.107 1.00 21.22 C ATOM 1221 O LYS A 78 -12.675 -9.153 3.444 1.00 4.31 O ATOM 1222 CB LYS A 78 -15.114 -11.300 3.487 1.00 2.23 C ATOM 1223 CG LYS A 78 -16.428 -10.540 3.440 1.00 74.52 C ATOM 1224 CD LYS A 78 -17.457 -11.259 2.583 1.00 61.32 C ATOM 1225 CE LYS A 78 -18.740 -11.522 3.355 1.00 35.03 C ATOM 1226 NZ LYS A 78 -19.545 -10.281 3.532 1.00 31.52 N ATOM 0 H LYS A 78 -15.629 -11.193 5.896 1.00 71.43 H new ATOM 0 HA LYS A 78 -13.236 -11.379 4.534 1.00 73.14 H new ATOM 0 HB2 LYS A 78 -14.655 -11.277 2.499 1.00 2.23 H new ATOM 0 HB3 LYS A 78 -15.316 -12.345 3.721 1.00 2.23 H new ATOM 0 HG2 LYS A 78 -16.816 -10.419 4.451 1.00 74.52 H new ATOM 0 HG3 LYS A 78 -16.257 -9.540 3.042 1.00 74.52 H new ATOM 0 HD2 LYS A 78 -17.679 -10.660 1.700 1.00 61.32 H new ATOM 0 HD3 LYS A 78 -17.043 -12.204 2.231 1.00 61.32 H new ATOM 0 HE2 LYS A 78 -19.334 -12.268 2.828 1.00 35.03 H new ATOM 0 HE3 LYS A 78 -18.497 -11.940 4.332 1.00 35.03 H new ATOM 0 HZ1 LYS A 78 -20.412 -10.502 4.063 1.00 31.52 H new ATOM 0 HZ2 LYS A 78 -18.987 -9.577 4.057 1.00 31.52 H new ATOM 0 HZ3 LYS A 78 -19.799 -9.896 2.600 1.00 31.52 H new ATOM 1240 N GLU A 79 -14.482 -8.344 4.513 1.00 33.02 N ATOM 1241 CA GLU A 79 -14.184 -6.953 4.194 1.00 54.13 C ATOM 1242 C GLU A 79 -12.854 -6.527 4.807 1.00 1.45 C ATOM 1243 O GLU A 79 -12.025 -5.902 4.145 1.00 2.22 O ATOM 1244 CB GLU A 79 -15.305 -6.040 4.695 1.00 54.13 C ATOM 1245 CG GLU A 79 -16.318 -5.674 3.622 1.00 23.21 C ATOM 1246 CD GLU A 79 -17.560 -6.542 3.672 1.00 20.21 C ATOM 1247 OE1 GLU A 79 -18.314 -6.444 4.662 1.00 0.55 O ATOM 1248 OE2 GLU A 79 -17.778 -7.320 2.720 1.00 61.42 O ATOM 0 H GLU A 79 -15.330 -8.478 5.063 1.00 33.02 H new ATOM 0 HA GLU A 79 -14.110 -6.864 3.110 1.00 54.13 H new ATOM 0 HB2 GLU A 79 -15.822 -6.532 5.518 1.00 54.13 H new ATOM 0 HB3 GLU A 79 -14.866 -5.126 5.095 1.00 54.13 H new ATOM 0 HG2 GLU A 79 -16.605 -4.629 3.740 1.00 23.21 H new ATOM 0 HG3 GLU A 79 -15.853 -5.768 2.641 1.00 23.21 H new ATOM 1255 N ILE A 80 -12.658 -6.868 6.076 1.00 30.35 N ATOM 1256 CA ILE A 80 -11.429 -6.522 6.779 1.00 11.24 C ATOM 1257 C ILE A 80 -10.249 -7.332 6.255 1.00 24.31 C ATOM 1258 O ILE A 80 -9.233 -6.773 5.841 1.00 54.35 O ATOM 1259 CB ILE A 80 -11.563 -6.754 8.296 1.00 14.10 C ATOM 1260 CG1 ILE A 80 -12.743 -5.954 8.854 1.00 63.31 C ATOM 1261 CG2 ILE A 80 -10.274 -6.372 9.007 1.00 43.53 C ATOM 1262 CD1 ILE A 80 -13.161 -6.384 10.243 1.00 43.42 C ATOM 0 H ILE A 80 -13.335 -7.384 6.639 1.00 30.35 H new ATOM 0 HA ILE A 80 -11.249 -5.463 6.596 1.00 11.24 H new ATOM 0 HB ILE A 80 -11.751 -7.813 8.471 1.00 14.10 H new ATOM 0 HG12 ILE A 80 -12.478 -4.897 8.874 1.00 63.31 H new ATOM 0 HG13 ILE A 80 -13.593 -6.057 8.179 1.00 63.31 H new ATOM 0 HG21 ILE A 80 -10.385 -6.542 10.078 1.00 43.53 H new ATOM 0 HG22 ILE A 80 -9.454 -6.981 8.626 1.00 43.53 H new ATOM 0 HG23 ILE A 80 -10.058 -5.319 8.827 1.00 43.53 H new ATOM 0 HD11 ILE A 80 -14.002 -5.775 10.575 1.00 43.42 H new ATOM 0 HD12 ILE A 80 -13.458 -7.433 10.225 1.00 43.42 H new ATOM 0 HD13 ILE A 80 -12.325 -6.255 10.931 1.00 43.42 H new ATOM 1274 N ASP A 81 -10.390 -8.653 6.275 1.00 62.02 N ATOM 1275 CA ASP A 81 -9.336 -9.542 5.798 1.00 12.25 C ATOM 1276 C ASP A 81 -8.884 -9.146 4.397 1.00 44.44 C ATOM 1277 O ASP A 81 -7.696 -9.203 4.078 1.00 54.22 O ATOM 1278 CB ASP A 81 -9.823 -10.992 5.800 1.00 52.41 C ATOM 1279 CG ASP A 81 -9.581 -11.682 7.128 1.00 61.45 C ATOM 1280 OD1 ASP A 81 -9.911 -11.088 8.175 1.00 13.11 O ATOM 1281 OD2 ASP A 81 -9.062 -12.818 7.119 1.00 43.10 O ATOM 0 H ASP A 81 -11.223 -9.132 6.616 1.00 62.02 H new ATOM 0 HA ASP A 81 -8.485 -9.452 6.473 1.00 12.25 H new ATOM 0 HB2 ASP A 81 -10.888 -11.015 5.571 1.00 52.41 H new ATOM 0 HB3 ASP A 81 -9.315 -11.544 5.009 1.00 52.41 H new ATOM 1286 N MET A 82 -9.838 -8.745 3.563 1.00 12.02 N ATOM 1287 CA MET A 82 -9.537 -8.339 2.195 1.00 31.32 C ATOM 1288 C MET A 82 -8.732 -7.044 2.177 1.00 12.31 C ATOM 1289 O MET A 82 -7.751 -6.922 1.444 1.00 54.21 O ATOM 1290 CB MET A 82 -10.830 -8.161 1.397 1.00 31.30 C ATOM 1291 CG MET A 82 -11.397 -9.465 0.860 1.00 70.33 C ATOM 1292 SD MET A 82 -13.120 -9.316 0.350 1.00 51.21 S ATOM 1293 CE MET A 82 -13.420 -10.952 -0.313 1.00 32.51 C ATOM 0 H MET A 82 -10.826 -8.693 3.811 1.00 12.02 H new ATOM 0 HA MET A 82 -8.939 -9.124 1.733 1.00 31.32 H new ATOM 0 HB2 MET A 82 -11.576 -7.684 2.032 1.00 31.30 H new ATOM 0 HB3 MET A 82 -10.642 -7.485 0.563 1.00 31.30 H new ATOM 0 HG2 MET A 82 -10.798 -9.795 0.011 1.00 70.33 H new ATOM 0 HG3 MET A 82 -11.314 -10.235 1.627 1.00 70.33 H new ATOM 0 HE1 MET A 82 -14.448 -11.017 -0.670 1.00 32.51 H new ATOM 0 HE2 MET A 82 -12.736 -11.141 -1.140 1.00 32.51 H new ATOM 0 HE3 MET A 82 -13.260 -11.696 0.467 1.00 32.51 H new ATOM 1303 N ALA A 83 -9.154 -6.079 2.988 1.00 4.01 N ATOM 1304 CA ALA A 83 -8.471 -4.794 3.066 1.00 43.41 C ATOM 1305 C ALA A 83 -6.985 -4.978 3.355 1.00 22.10 C ATOM 1306 O ALA A 83 -6.140 -4.301 2.769 1.00 51.35 O ATOM 1307 CB ALA A 83 -9.113 -3.918 4.132 1.00 70.32 C ATOM 0 H ALA A 83 -9.966 -6.163 3.600 1.00 4.01 H new ATOM 0 HA ALA A 83 -8.568 -4.301 2.099 1.00 43.41 H new ATOM 0 HB1 ALA A 83 -8.592 -2.962 4.179 1.00 70.32 H new ATOM 0 HB2 ALA A 83 -10.160 -3.749 3.882 1.00 70.32 H new ATOM 0 HB3 ALA A 83 -9.047 -4.415 5.100 1.00 70.32 H new ATOM 1313 N ILE A 84 -6.673 -5.898 4.262 1.00 11.52 N ATOM 1314 CA ILE A 84 -5.289 -6.170 4.628 1.00 22.41 C ATOM 1315 C ILE A 84 -4.531 -6.812 3.471 1.00 23.42 C ATOM 1316 O ILE A 84 -3.415 -6.408 3.145 1.00 3.42 O ATOM 1317 CB ILE A 84 -5.203 -7.093 5.858 1.00 30.12 C ATOM 1318 CG1 ILE A 84 -5.926 -6.460 7.049 1.00 20.30 C ATOM 1319 CG2 ILE A 84 -3.750 -7.380 6.205 1.00 3.52 C ATOM 1320 CD1 ILE A 84 -6.817 -7.426 7.798 1.00 22.50 C ATOM 0 H ILE A 84 -7.360 -6.467 4.756 1.00 11.52 H new ATOM 0 HA ILE A 84 -4.832 -5.211 4.871 1.00 22.41 H new ATOM 0 HB ILE A 84 -5.692 -8.038 5.620 1.00 30.12 H new ATOM 0 HG12 ILE A 84 -5.186 -6.052 7.738 1.00 20.30 H new ATOM 0 HG13 ILE A 84 -6.528 -5.623 6.695 1.00 20.30 H new ATOM 0 HG21 ILE A 84 -3.706 -8.033 7.076 1.00 3.52 H new ATOM 0 HG22 ILE A 84 -3.264 -7.868 5.360 1.00 3.52 H new ATOM 0 HG23 ILE A 84 -3.237 -6.444 6.427 1.00 3.52 H new ATOM 0 HD11 ILE A 84 -7.297 -6.909 8.629 1.00 22.50 H new ATOM 0 HD12 ILE A 84 -7.580 -7.815 7.124 1.00 22.50 H new ATOM 0 HD13 ILE A 84 -6.217 -8.251 8.182 1.00 22.50 H new ATOM 1332 N VAL A 85 -5.145 -7.815 2.852 1.00 34.41 N ATOM 1333 CA VAL A 85 -4.530 -8.512 1.729 1.00 72.32 C ATOM 1334 C VAL A 85 -4.176 -7.542 0.608 1.00 50.04 C ATOM 1335 O VAL A 85 -3.070 -7.577 0.067 1.00 50.40 O ATOM 1336 CB VAL A 85 -5.459 -9.607 1.171 1.00 21.21 C ATOM 1337 CG1 VAL A 85 -4.795 -10.330 0.009 1.00 23.12 C ATOM 1338 CG2 VAL A 85 -5.845 -10.587 2.268 1.00 34.25 C ATOM 0 H VAL A 85 -6.068 -8.163 3.110 1.00 34.41 H new ATOM 0 HA VAL A 85 -3.619 -8.976 2.105 1.00 72.32 H new ATOM 0 HB VAL A 85 -6.368 -9.134 0.801 1.00 21.21 H new ATOM 0 HG11 VAL A 85 -5.466 -11.100 -0.372 1.00 23.12 H new ATOM 0 HG12 VAL A 85 -4.574 -9.616 -0.785 1.00 23.12 H new ATOM 0 HG13 VAL A 85 -3.869 -10.793 0.350 1.00 23.12 H new ATOM 0 HG21 VAL A 85 -6.501 -11.354 1.856 1.00 34.25 H new ATOM 0 HG22 VAL A 85 -4.947 -11.056 2.670 1.00 34.25 H new ATOM 0 HG23 VAL A 85 -6.364 -10.055 3.065 1.00 34.25 H new ATOM 1348 N THR A 86 -5.123 -6.675 0.262 1.00 44.24 N ATOM 1349 CA THR A 86 -4.911 -5.694 -0.796 1.00 35.51 C ATOM 1350 C THR A 86 -3.739 -4.777 -0.469 1.00 0.11 C ATOM 1351 O THR A 86 -2.868 -4.543 -1.308 1.00 2.33 O ATOM 1352 CB THR A 86 -6.170 -4.838 -1.027 1.00 54.50 C ATOM 1353 OG1 THR A 86 -6.614 -4.274 0.212 1.00 3.14 O ATOM 1354 CG2 THR A 86 -7.287 -5.670 -1.639 1.00 43.04 C ATOM 0 H THR A 86 -6.044 -6.632 0.699 1.00 44.24 H new ATOM 0 HA THR A 86 -4.688 -6.252 -1.705 1.00 35.51 H new ATOM 0 HB THR A 86 -5.914 -4.037 -1.720 1.00 54.50 H new ATOM 0 HG1 THR A 86 -6.174 -4.734 0.957 1.00 3.14 H new ATOM 0 HG21 THR A 86 -8.165 -5.043 -1.793 1.00 43.04 H new ATOM 0 HG22 THR A 86 -6.957 -6.074 -2.596 1.00 43.04 H new ATOM 0 HG23 THR A 86 -7.540 -6.490 -0.967 1.00 43.04 H new ATOM 1362 N LEU A 87 -3.722 -4.260 0.755 1.00 42.14 N ATOM 1363 CA LEU A 87 -2.654 -3.367 1.193 1.00 34.52 C ATOM 1364 C LEU A 87 -1.291 -4.036 1.048 1.00 32.31 C ATOM 1365 O LEU A 87 -0.293 -3.379 0.751 1.00 33.23 O ATOM 1366 CB LEU A 87 -2.878 -2.949 2.648 1.00 62.34 C ATOM 1367 CG LEU A 87 -3.764 -1.722 2.865 1.00 63.14 C ATOM 1368 CD1 LEU A 87 -3.955 -1.458 4.350 1.00 51.20 C ATOM 1369 CD2 LEU A 87 -3.165 -0.504 2.177 1.00 1.30 C ATOM 0 H LEU A 87 -4.435 -4.443 1.461 1.00 42.14 H new ATOM 0 HA LEU A 87 -2.672 -2.480 0.559 1.00 34.52 H new ATOM 0 HB2 LEU A 87 -3.319 -3.790 3.183 1.00 62.34 H new ATOM 0 HB3 LEU A 87 -1.907 -2.756 3.103 1.00 62.34 H new ATOM 0 HG LEU A 87 -4.741 -1.920 2.424 1.00 63.14 H new ATOM 0 HD11 LEU A 87 -4.588 -0.581 4.485 1.00 51.20 H new ATOM 0 HD12 LEU A 87 -4.428 -2.323 4.815 1.00 51.20 H new ATOM 0 HD13 LEU A 87 -2.986 -1.281 4.816 1.00 51.20 H new ATOM 0 HD21 LEU A 87 -3.809 0.360 2.342 1.00 1.30 H new ATOM 0 HD22 LEU A 87 -2.176 -0.303 2.589 1.00 1.30 H new ATOM 0 HD23 LEU A 87 -3.081 -0.695 1.107 1.00 1.30 H new ATOM 1381 N LYS A 88 -1.256 -5.348 1.257 1.00 14.04 N ATOM 1382 CA LYS A 88 -0.017 -6.108 1.147 1.00 71.22 C ATOM 1383 C LYS A 88 0.393 -6.271 -0.313 1.00 71.03 C ATOM 1384 O LYS A 88 1.429 -5.759 -0.738 1.00 73.35 O ATOM 1385 CB LYS A 88 -0.178 -7.483 1.799 1.00 74.43 C ATOM 1386 CG LYS A 88 0.817 -7.748 2.915 1.00 13.33 C ATOM 1387 CD LYS A 88 0.169 -7.611 4.283 1.00 22.42 C ATOM 1388 CE LYS A 88 0.833 -8.519 5.307 1.00 20.41 C ATOM 1389 NZ LYS A 88 -0.167 -9.207 6.170 1.00 52.21 N ATOM 0 H LYS A 88 -2.073 -5.907 1.504 1.00 14.04 H new ATOM 0 HA LYS A 88 0.766 -5.556 1.667 1.00 71.22 H new ATOM 0 HB2 LYS A 88 -1.189 -7.571 2.197 1.00 74.43 H new ATOM 0 HB3 LYS A 88 -0.068 -8.253 1.035 1.00 74.43 H new ATOM 0 HG2 LYS A 88 1.230 -8.751 2.805 1.00 13.33 H new ATOM 0 HG3 LYS A 88 1.650 -7.050 2.834 1.00 13.33 H new ATOM 0 HD2 LYS A 88 0.235 -6.575 4.616 1.00 22.42 H new ATOM 0 HD3 LYS A 88 -0.891 -7.856 4.211 1.00 22.42 H new ATOM 0 HE2 LYS A 88 1.441 -9.263 4.792 1.00 20.41 H new ATOM 0 HE3 LYS A 88 1.507 -7.931 5.930 1.00 20.41 H new ATOM 0 HZ1 LYS A 88 0.325 -9.816 6.854 1.00 52.21 H new ATOM 0 HZ2 LYS A 88 -0.731 -8.498 6.681 1.00 52.21 H new ATOM 0 HZ3 LYS A 88 -0.795 -9.788 5.578 1.00 52.21 H new ATOM 1403 N VAL A 89 -0.427 -6.986 -1.077 1.00 51.34 N ATOM 1404 CA VAL A 89 -0.151 -7.213 -2.491 1.00 22.52 C ATOM 1405 C VAL A 89 0.139 -5.902 -3.212 1.00 75.15 C ATOM 1406 O VAL A 89 0.990 -5.844 -4.100 1.00 74.22 O ATOM 1407 CB VAL A 89 -1.329 -7.920 -3.186 1.00 74.33 C ATOM 1408 CG1 VAL A 89 -1.514 -9.324 -2.630 1.00 0.10 C ATOM 1409 CG2 VAL A 89 -2.605 -7.105 -3.033 1.00 24.13 C ATOM 0 H VAL A 89 -1.288 -7.418 -0.741 1.00 51.34 H new ATOM 0 HA VAL A 89 0.729 -7.854 -2.543 1.00 22.52 H new ATOM 0 HB VAL A 89 -1.103 -8.003 -4.249 1.00 74.33 H new ATOM 0 HG11 VAL A 89 -2.351 -9.807 -3.134 1.00 0.10 H new ATOM 0 HG12 VAL A 89 -0.606 -9.904 -2.797 1.00 0.10 H new ATOM 0 HG13 VAL A 89 -1.717 -9.268 -1.561 1.00 0.10 H new ATOM 0 HG21 VAL A 89 -3.427 -7.620 -3.530 1.00 24.13 H new ATOM 0 HG22 VAL A 89 -2.837 -6.988 -1.974 1.00 24.13 H new ATOM 0 HG23 VAL A 89 -2.466 -6.123 -3.485 1.00 24.13 H new ATOM 1419 N PHE A 90 -0.575 -4.850 -2.825 1.00 71.12 N ATOM 1420 CA PHE A 90 -0.396 -3.538 -3.436 1.00 4.14 C ATOM 1421 C PHE A 90 0.902 -2.890 -2.961 1.00 32.12 C ATOM 1422 O PHE A 90 1.557 -2.166 -3.710 1.00 13.23 O ATOM 1423 CB PHE A 90 -1.583 -2.631 -3.104 1.00 63.22 C ATOM 1424 CG PHE A 90 -1.369 -1.197 -3.495 1.00 42.21 C ATOM 1425 CD1 PHE A 90 -1.044 -0.862 -4.800 1.00 4.43 C ATOM 1426 CD2 PHE A 90 -1.493 -0.184 -2.558 1.00 54.43 C ATOM 1427 CE1 PHE A 90 -0.845 0.457 -5.162 1.00 14.43 C ATOM 1428 CE2 PHE A 90 -1.297 1.137 -2.915 1.00 1.44 C ATOM 1429 CZ PHE A 90 -0.973 1.458 -4.218 1.00 55.24 C ATOM 0 H PHE A 90 -1.283 -4.880 -2.091 1.00 71.12 H new ATOM 0 HA PHE A 90 -0.341 -3.672 -4.516 1.00 4.14 H new ATOM 0 HB2 PHE A 90 -2.471 -3.009 -3.610 1.00 63.22 H new ATOM 0 HB3 PHE A 90 -1.781 -2.682 -2.033 1.00 63.22 H new ATOM 0 HD1 PHE A 90 -0.945 -1.640 -5.542 1.00 4.43 H new ATOM 0 HD2 PHE A 90 -1.746 -0.429 -1.537 1.00 54.43 H new ATOM 0 HE1 PHE A 90 -0.590 0.705 -6.182 1.00 14.43 H new ATOM 0 HE2 PHE A 90 -1.397 1.917 -2.175 1.00 1.44 H new ATOM 0 HZ PHE A 90 -0.820 2.489 -4.499 1.00 55.24 H new ATOM 1439 N ALA A 91 1.266 -3.156 -1.711 1.00 20.23 N ATOM 1440 CA ALA A 91 2.485 -2.601 -1.136 1.00 31.25 C ATOM 1441 C ALA A 91 3.722 -3.145 -1.841 1.00 63.35 C ATOM 1442 O ALA A 91 4.575 -2.383 -2.298 1.00 34.21 O ATOM 1443 CB ALA A 91 2.550 -2.902 0.355 1.00 50.15 C ATOM 0 H ALA A 91 0.734 -3.752 -1.077 1.00 20.23 H new ATOM 0 HA ALA A 91 2.464 -1.520 -1.277 1.00 31.25 H new ATOM 0 HB1 ALA A 91 3.465 -2.482 0.771 1.00 50.15 H new ATOM 0 HB2 ALA A 91 1.688 -2.459 0.854 1.00 50.15 H new ATOM 0 HB3 ALA A 91 2.543 -3.981 0.509 1.00 50.15 H new ATOM 1449 N VAL A 92 3.815 -4.469 -1.927 1.00 41.42 N ATOM 1450 CA VAL A 92 4.949 -5.115 -2.578 1.00 55.21 C ATOM 1451 C VAL A 92 4.922 -4.884 -4.085 1.00 33.32 C ATOM 1452 O VAL A 92 5.877 -4.364 -4.661 1.00 30.44 O ATOM 1453 CB VAL A 92 4.965 -6.630 -2.302 1.00 22.01 C ATOM 1454 CG1 VAL A 92 6.254 -7.253 -2.816 1.00 3.51 C ATOM 1455 CG2 VAL A 92 4.788 -6.902 -0.816 1.00 35.22 C ATOM 0 H VAL A 92 3.119 -5.115 -1.554 1.00 41.42 H new ATOM 0 HA VAL A 92 5.851 -4.667 -2.161 1.00 55.21 H new ATOM 0 HB VAL A 92 4.131 -7.088 -2.834 1.00 22.01 H new ATOM 0 HG11 VAL A 92 6.247 -8.324 -2.612 1.00 3.51 H new ATOM 0 HG12 VAL A 92 6.334 -7.089 -3.891 1.00 3.51 H new ATOM 0 HG13 VAL A 92 7.106 -6.794 -2.314 1.00 3.51 H new ATOM 0 HG21 VAL A 92 4.802 -7.977 -0.639 1.00 35.22 H new ATOM 0 HG22 VAL A 92 5.600 -6.432 -0.261 1.00 35.22 H new ATOM 0 HG23 VAL A 92 3.835 -6.491 -0.482 1.00 35.22 H new ATOM 1465 N ALA A 93 3.820 -5.274 -4.718 1.00 62.30 N ATOM 1466 CA ALA A 93 3.667 -5.108 -6.158 1.00 44.10 C ATOM 1467 C ALA A 93 3.684 -3.633 -6.545 1.00 13.00 C ATOM 1468 O ALA A 93 3.868 -3.289 -7.712 1.00 25.33 O ATOM 1469 CB ALA A 93 2.380 -5.766 -6.632 1.00 13.44 C ATOM 0 H ALA A 93 3.020 -5.707 -4.256 1.00 62.30 H new ATOM 0 HA ALA A 93 4.511 -5.595 -6.647 1.00 44.10 H new ATOM 0 HB1 ALA A 93 2.279 -5.634 -7.709 1.00 13.44 H new ATOM 0 HB2 ALA A 93 2.408 -6.830 -6.398 1.00 13.44 H new ATOM 0 HB3 ALA A 93 1.529 -5.306 -6.129 1.00 13.44 H new ATOM 1475 N GLY A 94 3.488 -2.764 -5.557 1.00 63.44 N ATOM 1476 CA GLY A 94 3.484 -1.336 -5.816 1.00 35.35 C ATOM 1477 C GLY A 94 4.828 -0.693 -5.541 1.00 3.02 C ATOM 1478 O GLY A 94 5.543 -0.311 -6.468 1.00 41.42 O ATOM 0 H GLY A 94 3.332 -3.024 -4.583 1.00 63.44 H new ATOM 0 HA2 GLY A 94 3.206 -1.159 -6.855 1.00 35.35 H new ATOM 0 HA3 GLY A 94 2.724 -0.860 -5.197 1.00 35.35 H new ATOM 1482 N LEU A 95 5.174 -0.571 -4.264 1.00 61.10 N ATOM 1483 CA LEU A 95 6.442 0.032 -3.869 1.00 41.41 C ATOM 1484 C LEU A 95 7.619 -0.748 -4.445 1.00 24.25 C ATOM 1485 O LEU A 95 8.561 -0.165 -4.983 1.00 3.00 O ATOM 1486 CB LEU A 95 6.549 0.089 -2.344 1.00 45.12 C ATOM 1487 CG LEU A 95 5.723 1.174 -1.653 1.00 34.21 C ATOM 1488 CD1 LEU A 95 6.045 2.542 -2.234 1.00 35.11 C ATOM 1489 CD2 LEU A 95 4.236 0.874 -1.781 1.00 42.21 C ATOM 0 H LEU A 95 4.594 -0.882 -3.485 1.00 61.10 H new ATOM 0 HA LEU A 95 6.474 1.046 -4.267 1.00 41.41 H new ATOM 0 HB2 LEU A 95 6.249 -0.879 -1.942 1.00 45.12 H new ATOM 0 HB3 LEU A 95 7.596 0.233 -2.078 1.00 45.12 H new ATOM 0 HG LEU A 95 5.982 1.182 -0.594 1.00 34.21 H new ATOM 0 HD11 LEU A 95 5.447 3.301 -1.730 1.00 35.11 H new ATOM 0 HD12 LEU A 95 7.104 2.758 -2.090 1.00 35.11 H new ATOM 0 HD13 LEU A 95 5.815 2.548 -3.299 1.00 35.11 H new ATOM 0 HD21 LEU A 95 3.663 1.656 -1.284 1.00 42.21 H new ATOM 0 HD22 LEU A 95 3.962 0.838 -2.835 1.00 42.21 H new ATOM 0 HD23 LEU A 95 4.017 -0.087 -1.316 1.00 42.21 H new ATOM 1501 N LEU A 96 7.559 -2.070 -4.329 1.00 72.21 N ATOM 1502 CA LEU A 96 8.619 -2.932 -4.840 1.00 60.21 C ATOM 1503 C LEU A 96 8.392 -3.261 -6.312 1.00 52.32 C ATOM 1504 O LEU A 96 9.197 -3.950 -6.936 1.00 23.42 O ATOM 1505 CB LEU A 96 8.692 -4.223 -4.023 1.00 73.40 C ATOM 1506 CG LEU A 96 9.930 -4.391 -3.142 1.00 63.42 C ATOM 1507 CD1 LEU A 96 9.560 -5.043 -1.819 1.00 71.41 C ATOM 1508 CD2 LEU A 96 10.991 -5.210 -3.864 1.00 11.12 C ATOM 0 H LEU A 96 6.787 -2.568 -3.886 1.00 72.21 H new ATOM 0 HA LEU A 96 9.564 -2.397 -4.748 1.00 60.21 H new ATOM 0 HB2 LEU A 96 7.808 -4.277 -3.387 1.00 73.40 H new ATOM 0 HB3 LEU A 96 8.643 -5.068 -4.710 1.00 73.40 H new ATOM 0 HG LEU A 96 10.341 -3.403 -2.934 1.00 63.42 H new ATOM 0 HD11 LEU A 96 10.454 -5.154 -1.206 1.00 71.41 H new ATOM 0 HD12 LEU A 96 8.836 -4.418 -1.295 1.00 71.41 H new ATOM 0 HD13 LEU A 96 9.124 -6.024 -2.006 1.00 71.41 H new ATOM 0 HD21 LEU A 96 11.865 -5.320 -3.222 1.00 11.12 H new ATOM 0 HD22 LEU A 96 10.590 -6.195 -4.103 1.00 11.12 H new ATOM 0 HD23 LEU A 96 11.278 -4.702 -4.785 1.00 11.12 H new ATOM 1520 N ASN A 97 7.290 -2.760 -6.862 1.00 1.13 N ATOM 1521 CA ASN A 97 6.958 -2.999 -8.261 1.00 54.25 C ATOM 1522 C ASN A 97 7.008 -4.489 -8.586 1.00 1.31 C ATOM 1523 O ASN A 97 7.294 -4.878 -9.718 1.00 31.43 O ATOM 1524 CB ASN A 97 7.919 -2.234 -9.173 1.00 62.03 C ATOM 1525 CG ASN A 97 8.038 -0.771 -8.791 1.00 70.33 C ATOM 1526 OD1 ASN A 97 8.763 -0.418 -7.861 1.00 71.11 O ATOM 1527 ND2 ASN A 97 7.324 0.088 -9.510 1.00 21.42 N ATOM 0 H ASN A 97 6.613 -2.186 -6.360 1.00 1.13 H new ATOM 0 HA ASN A 97 5.943 -2.642 -8.433 1.00 54.25 H new ATOM 0 HB2 ASN A 97 8.904 -2.699 -9.130 1.00 62.03 H new ATOM 0 HB3 ASN A 97 7.575 -2.310 -10.204 1.00 62.03 H new ATOM 0 HD21 ASN A 97 7.363 1.085 -9.300 1.00 21.42 H new ATOM 0 HD22 ASN A 97 6.736 -0.250 -10.272 1.00 21.42 H new ATOM 1534 N MET A 98 6.728 -5.317 -7.585 1.00 11.43 N ATOM 1535 CA MET A 98 6.739 -6.764 -7.764 1.00 45.22 C ATOM 1536 C MET A 98 5.677 -7.195 -8.770 1.00 31.41 C ATOM 1537 O MET A 98 4.964 -6.363 -9.332 1.00 62.10 O ATOM 1538 CB MET A 98 6.507 -7.467 -6.426 1.00 20.05 C ATOM 1539 CG MET A 98 7.727 -8.214 -5.911 1.00 42.43 C ATOM 1540 SD MET A 98 7.728 -9.953 -6.387 1.00 4.05 S ATOM 1541 CE MET A 98 9.487 -10.281 -6.464 1.00 64.51 C ATOM 0 H MET A 98 6.491 -5.011 -6.641 1.00 11.43 H new ATOM 0 HA MET A 98 7.717 -7.050 -8.151 1.00 45.22 H new ATOM 0 HB2 MET A 98 6.204 -6.728 -5.684 1.00 20.05 H new ATOM 0 HB3 MET A 98 5.680 -8.169 -6.533 1.00 20.05 H new ATOM 0 HG2 MET A 98 8.629 -7.736 -6.293 1.00 42.43 H new ATOM 0 HG3 MET A 98 7.762 -8.139 -4.824 1.00 42.43 H new ATOM 0 HE1 MET A 98 9.651 -11.321 -6.747 1.00 64.51 H new ATOM 0 HE2 MET A 98 9.947 -9.626 -7.204 1.00 64.51 H new ATOM 0 HE3 MET A 98 9.935 -10.096 -5.488 1.00 64.51 H new ATOM 1551 N THR A 99 5.576 -8.502 -8.993 1.00 74.11 N ATOM 1552 CA THR A 99 4.601 -9.044 -9.932 1.00 4.20 C ATOM 1553 C THR A 99 3.899 -10.266 -9.352 1.00 0.14 C ATOM 1554 O THR A 99 3.781 -11.299 -10.011 1.00 43.44 O ATOM 1555 CB THR A 99 5.264 -9.432 -11.267 1.00 72.42 C ATOM 1556 OG1 THR A 99 6.365 -8.558 -11.541 1.00 34.44 O ATOM 1557 CG2 THR A 99 4.261 -9.365 -12.409 1.00 34.12 C ATOM 0 H THR A 99 6.157 -9.205 -8.536 1.00 74.11 H new ATOM 0 HA THR A 99 3.866 -8.259 -10.114 1.00 4.20 H new ATOM 0 HB THR A 99 5.627 -10.456 -11.182 1.00 72.42 H new ATOM 0 HG1 THR A 99 6.782 -8.813 -12.391 1.00 34.44 H new ATOM 0 HG21 THR A 99 4.752 -9.643 -13.341 1.00 34.12 H new ATOM 0 HG22 THR A 99 3.439 -10.054 -12.212 1.00 34.12 H new ATOM 0 HG23 THR A 99 3.872 -8.350 -12.493 1.00 34.12 H new ATOM 1565 N VAL A 100 3.433 -10.142 -8.113 1.00 32.21 N ATOM 1566 CA VAL A 100 2.740 -11.237 -7.444 1.00 11.21 C ATOM 1567 C VAL A 100 1.295 -11.343 -7.917 1.00 74.25 C ATOM 1568 O VAL A 100 0.520 -10.394 -7.798 1.00 31.21 O ATOM 1569 CB VAL A 100 2.756 -11.059 -5.914 1.00 75.30 C ATOM 1570 CG1 VAL A 100 4.166 -11.228 -5.371 1.00 44.42 C ATOM 1571 CG2 VAL A 100 2.186 -9.702 -5.530 1.00 30.13 C ATOM 0 H VAL A 100 3.523 -9.295 -7.552 1.00 32.21 H new ATOM 0 HA VAL A 100 3.272 -12.153 -7.702 1.00 11.21 H new ATOM 0 HB VAL A 100 2.127 -11.830 -5.469 1.00 75.30 H new ATOM 0 HG11 VAL A 100 4.157 -11.099 -4.289 1.00 44.42 H new ATOM 0 HG12 VAL A 100 4.532 -12.225 -5.614 1.00 44.42 H new ATOM 0 HG13 VAL A 100 4.821 -10.481 -5.820 1.00 44.42 H new ATOM 0 HG21 VAL A 100 2.205 -9.593 -4.446 1.00 30.13 H new ATOM 0 HG22 VAL A 100 2.786 -8.914 -5.984 1.00 30.13 H new ATOM 0 HG23 VAL A 100 1.158 -9.626 -5.884 1.00 30.13 H new ATOM 1581 N SER A 101 0.938 -12.505 -8.455 1.00 70.33 N ATOM 1582 CA SER A 101 -0.414 -12.735 -8.950 1.00 71.54 C ATOM 1583 C SER A 101 -1.226 -13.554 -7.952 1.00 33.43 C ATOM 1584 O SER A 101 -2.281 -14.095 -8.285 1.00 72.25 O ATOM 1585 CB SER A 101 -0.370 -13.454 -10.300 1.00 72.13 C ATOM 1586 OG SER A 101 -0.180 -12.535 -11.362 1.00 1.44 O ATOM 0 H SER A 101 1.566 -13.302 -8.559 1.00 70.33 H new ATOM 0 HA SER A 101 -0.897 -11.766 -9.077 1.00 71.54 H new ATOM 0 HB2 SER A 101 0.438 -14.186 -10.299 1.00 72.13 H new ATOM 0 HB3 SER A 101 -1.298 -14.004 -10.453 1.00 72.13 H new ATOM 0 HG SER A 101 -0.154 -13.020 -12.213 1.00 1.44 H new ATOM 1592 N THR A 102 -0.727 -13.642 -6.723 1.00 2.13 N ATOM 1593 CA THR A 102 -1.404 -14.395 -5.674 1.00 65.14 C ATOM 1594 C THR A 102 -1.193 -13.749 -4.310 1.00 24.32 C ATOM 1595 O THR A 102 -0.062 -13.469 -3.913 1.00 62.14 O ATOM 1596 CB THR A 102 -0.909 -15.853 -5.622 1.00 12.02 C ATOM 1597 OG1 THR A 102 0.419 -15.901 -5.088 1.00 72.04 O ATOM 1598 CG2 THR A 102 -0.928 -16.481 -7.007 1.00 63.02 C ATOM 0 H THR A 102 0.144 -13.201 -6.429 1.00 2.13 H new ATOM 0 HA THR A 102 -2.467 -14.388 -5.915 1.00 65.14 H new ATOM 0 HB THR A 102 -1.580 -16.418 -4.976 1.00 12.02 H new ATOM 0 HG1 THR A 102 0.726 -16.831 -5.057 1.00 72.04 H new ATOM 0 HG21 THR A 102 -0.574 -17.510 -6.945 1.00 63.02 H new ATOM 0 HG22 THR A 102 -1.946 -16.470 -7.398 1.00 63.02 H new ATOM 0 HG23 THR A 102 -0.278 -15.914 -7.673 1.00 63.02 H new ATOM 1606 N ALA A 103 -2.288 -13.516 -3.595 1.00 33.32 N ATOM 1607 CA ALA A 103 -2.222 -12.906 -2.273 1.00 15.02 C ATOM 1608 C ALA A 103 -1.233 -13.643 -1.377 1.00 1.24 C ATOM 1609 O ALA A 103 -0.624 -13.048 -0.488 1.00 30.11 O ATOM 1610 CB ALA A 103 -3.602 -12.884 -1.632 1.00 54.13 C ATOM 0 H ALA A 103 -3.232 -13.741 -3.909 1.00 33.32 H new ATOM 0 HA ALA A 103 -1.871 -11.881 -2.391 1.00 15.02 H new ATOM 0 HB1 ALA A 103 -3.538 -12.426 -0.645 1.00 54.13 H new ATOM 0 HB2 ALA A 103 -4.284 -12.307 -2.256 1.00 54.13 H new ATOM 0 HB3 ALA A 103 -3.974 -13.904 -1.535 1.00 54.13 H new ATOM 1616 N ALA A 104 -1.078 -14.941 -1.616 1.00 10.10 N ATOM 1617 CA ALA A 104 -0.161 -15.758 -0.831 1.00 73.41 C ATOM 1618 C ALA A 104 1.289 -15.389 -1.122 1.00 25.24 C ATOM 1619 O ALA A 104 2.119 -15.335 -0.215 1.00 5.03 O ATOM 1620 CB ALA A 104 -0.399 -17.235 -1.112 1.00 4.13 C ATOM 0 H ALA A 104 -1.576 -15.449 -2.347 1.00 10.10 H new ATOM 0 HA ALA A 104 -0.352 -15.564 0.224 1.00 73.41 H new ATOM 0 HB1 ALA A 104 0.292 -17.834 -0.519 1.00 4.13 H new ATOM 0 HB2 ALA A 104 -1.424 -17.495 -0.847 1.00 4.13 H new ATOM 0 HB3 ALA A 104 -0.236 -17.435 -2.171 1.00 4.13 H new ATOM 1626 N ALA A 105 1.588 -15.137 -2.392 1.00 1.02 N ATOM 1627 CA ALA A 105 2.939 -14.772 -2.801 1.00 55.31 C ATOM 1628 C ALA A 105 3.343 -13.423 -2.217 1.00 2.51 C ATOM 1629 O ALA A 105 4.483 -13.236 -1.793 1.00 21.04 O ATOM 1630 CB ALA A 105 3.041 -14.744 -4.319 1.00 13.01 C ATOM 0 H ALA A 105 0.913 -15.179 -3.156 1.00 1.02 H new ATOM 0 HA ALA A 105 3.625 -15.526 -2.415 1.00 55.31 H new ATOM 0 HB1 ALA A 105 4.055 -14.470 -4.611 1.00 13.01 H new ATOM 0 HB2 ALA A 105 2.803 -15.730 -4.718 1.00 13.01 H new ATOM 0 HB3 ALA A 105 2.339 -14.012 -4.717 1.00 13.01 H new ATOM 1636 N ALA A 106 2.402 -12.484 -2.199 1.00 70.42 N ATOM 1637 CA ALA A 106 2.661 -11.153 -1.666 1.00 13.31 C ATOM 1638 C ALA A 106 2.994 -11.212 -0.179 1.00 70.00 C ATOM 1639 O ALA A 106 4.034 -10.717 0.253 1.00 43.21 O ATOM 1640 CB ALA A 106 1.462 -10.247 -1.904 1.00 51.44 C ATOM 0 H ALA A 106 1.453 -12.621 -2.548 1.00 70.42 H new ATOM 0 HA ALA A 106 3.524 -10.741 -2.189 1.00 13.31 H new ATOM 0 HB1 ALA A 106 1.669 -9.256 -1.501 1.00 51.44 H new ATOM 0 HB2 ALA A 106 1.270 -10.171 -2.974 1.00 51.44 H new ATOM 0 HB3 ALA A 106 0.586 -10.665 -1.408 1.00 51.44 H new ATOM 1646 N GLU A 107 2.104 -11.820 0.599 1.00 73.45 N ATOM 1647 CA GLU A 107 2.304 -11.942 2.038 1.00 62.13 C ATOM 1648 C GLU A 107 3.601 -12.685 2.345 1.00 3.35 C ATOM 1649 O GLU A 107 4.282 -12.387 3.326 1.00 14.31 O ATOM 1650 CB GLU A 107 1.122 -12.671 2.680 1.00 12.40 C ATOM 1651 CG GLU A 107 1.139 -12.637 4.199 1.00 72.30 C ATOM 1652 CD GLU A 107 1.170 -14.024 4.813 1.00 44.44 C ATOM 1653 OE1 GLU A 107 0.087 -14.622 4.980 1.00 61.40 O ATOM 1654 OE2 GLU A 107 2.277 -14.510 5.125 1.00 2.55 O ATOM 0 H GLU A 107 1.238 -12.236 0.257 1.00 73.45 H new ATOM 0 HA GLU A 107 2.372 -10.938 2.456 1.00 62.13 H new ATOM 0 HB2 GLU A 107 0.194 -12.223 2.325 1.00 12.40 H new ATOM 0 HB3 GLU A 107 1.122 -13.709 2.348 1.00 12.40 H new ATOM 0 HG2 GLU A 107 2.010 -12.075 4.536 1.00 72.30 H new ATOM 0 HG3 GLU A 107 0.258 -12.105 4.557 1.00 72.30 H new ATOM 1661 N ASN A 108 3.936 -13.654 1.500 1.00 42.12 N ATOM 1662 CA ASN A 108 5.151 -14.441 1.681 1.00 13.34 C ATOM 1663 C ASN A 108 6.391 -13.557 1.586 1.00 53.04 C ATOM 1664 O ASN A 108 7.250 -13.579 2.466 1.00 64.11 O ATOM 1665 CB ASN A 108 5.223 -15.555 0.635 1.00 13.22 C ATOM 1666 CG ASN A 108 6.544 -16.298 0.672 1.00 42.44 C ATOM 1667 OD1 ASN A 108 6.826 -17.039 1.613 1.00 65.10 O ATOM 1668 ND2 ASN A 108 7.362 -16.101 -0.356 1.00 72.12 N ATOM 0 H ASN A 108 3.383 -13.914 0.683 1.00 42.12 H new ATOM 0 HA ASN A 108 5.120 -14.887 2.675 1.00 13.34 H new ATOM 0 HB2 ASN A 108 4.408 -16.260 0.802 1.00 13.22 H new ATOM 0 HB3 ASN A 108 5.077 -15.128 -0.357 1.00 13.22 H new ATOM 0 HD21 ASN A 108 8.266 -16.573 -0.387 1.00 72.12 H new ATOM 0 HD22 ASN A 108 7.087 -15.477 -1.115 1.00 72.12 H new ATOM 1675 N MET A 109 6.475 -12.780 0.511 1.00 42.21 N ATOM 1676 CA MET A 109 7.609 -11.887 0.301 1.00 21.10 C ATOM 1677 C MET A 109 7.614 -10.762 1.332 1.00 75.54 C ATOM 1678 O MET A 109 8.673 -10.293 1.748 1.00 61.40 O ATOM 1679 CB MET A 109 7.569 -11.300 -1.111 1.00 61.33 C ATOM 1680 CG MET A 109 8.899 -11.385 -1.843 1.00 30.15 C ATOM 1681 SD MET A 109 10.187 -10.397 -1.058 1.00 40.45 S ATOM 1682 CE MET A 109 9.624 -8.740 -1.443 1.00 33.33 C ATOM 0 H MET A 109 5.772 -12.751 -0.228 1.00 42.21 H new ATOM 0 HA MET A 109 8.523 -12.468 0.419 1.00 21.10 H new ATOM 0 HB2 MET A 109 6.810 -11.824 -1.692 1.00 61.33 H new ATOM 0 HB3 MET A 109 7.262 -10.256 -1.053 1.00 61.33 H new ATOM 0 HG2 MET A 109 9.220 -12.426 -1.886 1.00 30.15 H new ATOM 0 HG3 MET A 109 8.765 -11.050 -2.872 1.00 30.15 H new ATOM 0 HE1 MET A 109 10.473 -8.057 -1.438 1.00 33.33 H new ATOM 0 HE2 MET A 109 9.159 -8.734 -2.429 1.00 33.33 H new ATOM 0 HE3 MET A 109 8.897 -8.420 -0.697 1.00 33.33 H new ATOM 1692 N TYR A 110 6.424 -10.334 1.739 1.00 72.45 N ATOM 1693 CA TYR A 110 6.291 -9.263 2.718 1.00 1.23 C ATOM 1694 C TYR A 110 6.902 -9.669 4.056 1.00 44.11 C ATOM 1695 O TYR A 110 7.504 -8.850 4.751 1.00 55.33 O ATOM 1696 CB TYR A 110 4.818 -8.896 2.908 1.00 22.53 C ATOM 1697 CG TYR A 110 4.602 -7.466 3.347 1.00 52.34 C ATOM 1698 CD1 TYR A 110 5.103 -6.406 2.601 1.00 64.32 C ATOM 1699 CD2 TYR A 110 3.895 -7.173 4.506 1.00 35.34 C ATOM 1700 CE1 TYR A 110 4.909 -5.098 2.998 1.00 14.30 C ATOM 1701 CE2 TYR A 110 3.694 -5.868 4.911 1.00 54.45 C ATOM 1702 CZ TYR A 110 4.203 -4.833 4.153 1.00 30.43 C ATOM 1703 OH TYR A 110 4.006 -3.531 4.552 1.00 75.13 O ATOM 0 H TYR A 110 5.538 -10.713 1.406 1.00 72.45 H new ATOM 0 HA TYR A 110 6.829 -8.393 2.342 1.00 1.23 H new ATOM 0 HB2 TYR A 110 4.287 -9.064 1.971 1.00 22.53 H new ATOM 0 HB3 TYR A 110 4.378 -9.565 3.648 1.00 22.53 H new ATOM 0 HD1 TYR A 110 5.654 -6.609 1.695 1.00 64.32 H new ATOM 0 HD2 TYR A 110 3.495 -7.980 5.101 1.00 35.34 H new ATOM 0 HE1 TYR A 110 5.308 -4.287 2.407 1.00 14.30 H new ATOM 0 HE2 TYR A 110 3.142 -5.659 5.815 1.00 54.45 H new ATOM 0 HH TYR A 110 3.160 -3.464 5.043 1.00 75.13 H new ATOM 1713 N SER A 111 6.744 -10.940 4.410 1.00 64.44 N ATOM 1714 CA SER A 111 7.277 -11.456 5.665 1.00 63.50 C ATOM 1715 C SER A 111 8.764 -11.775 5.534 1.00 13.21 C ATOM 1716 O SER A 111 9.562 -11.429 6.405 1.00 53.44 O ATOM 1717 CB SER A 111 6.511 -12.710 6.092 1.00 63.13 C ATOM 1718 OG SER A 111 6.776 -13.792 5.216 1.00 72.23 O ATOM 0 H SER A 111 6.251 -11.632 3.845 1.00 64.44 H new ATOM 0 HA SER A 111 7.154 -10.686 6.427 1.00 63.50 H new ATOM 0 HB2 SER A 111 6.793 -12.984 7.109 1.00 63.13 H new ATOM 0 HB3 SER A 111 5.441 -12.501 6.103 1.00 63.13 H new ATOM 0 HG SER A 111 6.762 -13.474 4.289 1.00 72.23 H new ATOM 1724 N GLN A 112 9.127 -12.436 4.440 1.00 74.40 N ATOM 1725 CA GLN A 112 10.517 -12.802 4.195 1.00 74.50 C ATOM 1726 C GLN A 112 11.422 -11.577 4.262 1.00 61.03 C ATOM 1727 O GLN A 112 12.567 -11.663 4.705 1.00 13.34 O ATOM 1728 CB GLN A 112 10.655 -13.480 2.830 1.00 12.34 C ATOM 1729 CG GLN A 112 12.031 -14.076 2.584 1.00 43.34 C ATOM 1730 CD GLN A 112 12.373 -14.164 1.109 1.00 20.33 C ATOM 1731 OE1 GLN A 112 11.653 -13.637 0.261 1.00 63.24 O ATOM 1732 NE2 GLN A 112 13.477 -14.833 0.796 1.00 35.44 N ATOM 0 H GLN A 112 8.478 -12.729 3.709 1.00 74.40 H new ATOM 0 HA GLN A 112 10.825 -13.501 4.972 1.00 74.50 H new ATOM 0 HB2 GLN A 112 9.907 -14.268 2.748 1.00 12.34 H new ATOM 0 HB3 GLN A 112 10.438 -12.752 2.048 1.00 12.34 H new ATOM 0 HG2 GLN A 112 12.781 -13.470 3.092 1.00 43.34 H new ATOM 0 HG3 GLN A 112 12.075 -15.072 3.024 1.00 43.34 H new ATOM 0 HE21 GLN A 112 14.044 -15.254 1.532 1.00 35.44 H new ATOM 0 HE22 GLN A 112 13.758 -14.926 -0.180 1.00 35.44 H new ATOM 1741 N MET A 113 10.901 -10.438 3.818 1.00 44.24 N ATOM 1742 CA MET A 113 11.663 -9.194 3.828 1.00 64.41 C ATOM 1743 C MET A 113 11.734 -8.612 5.236 1.00 54.42 C ATOM 1744 O MET A 113 12.676 -7.898 5.576 1.00 11.32 O ATOM 1745 CB MET A 113 11.034 -8.178 2.873 1.00 3.23 C ATOM 1746 CG MET A 113 11.602 -8.235 1.464 1.00 33.33 C ATOM 1747 SD MET A 113 13.296 -7.625 1.372 1.00 30.33 S ATOM 1748 CE MET A 113 13.012 -5.880 1.089 1.00 4.55 C ATOM 0 H MET A 113 9.955 -10.350 3.447 1.00 44.24 H new ATOM 0 HA MET A 113 12.677 -9.415 3.494 1.00 64.41 H new ATOM 0 HB2 MET A 113 9.959 -8.350 2.830 1.00 3.23 H new ATOM 0 HB3 MET A 113 11.180 -7.175 3.275 1.00 3.23 H new ATOM 0 HG2 MET A 113 11.571 -9.264 1.105 1.00 33.33 H new ATOM 0 HG3 MET A 113 10.971 -7.646 0.798 1.00 33.33 H new ATOM 0 HE1 MET A 113 13.969 -5.364 1.009 1.00 4.55 H new ATOM 0 HE2 MET A 113 12.450 -5.748 0.164 1.00 4.55 H new ATOM 0 HE3 MET A 113 12.444 -5.464 1.921 1.00 4.55 H new ATOM 1758 N GLY A 114 10.729 -8.921 6.051 1.00 44.03 N ATOM 1759 CA GLY A 114 10.697 -8.419 7.412 1.00 41.11 C ATOM 1760 C GLY A 114 9.681 -7.309 7.597 1.00 44.05 C ATOM 1761 O GLY A 114 9.808 -6.486 8.504 1.00 0.12 O ATOM 0 H GLY A 114 9.937 -9.510 5.793 1.00 44.03 H new ATOM 0 HA2 GLY A 114 10.464 -9.238 8.093 1.00 41.11 H new ATOM 0 HA3 GLY A 114 11.686 -8.051 7.683 1.00 41.11 H new