USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 794 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 106:sc= 0.374 USER MOD Single : A 17 SER OG : rot 83:sc= 0.187 USER MOD Single : A 18 ASN : amide:sc= 0.0209 X(o=0.021,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0459 K(o=-0.046,f=-1.2) USER MOD Single : A 41 MET CE :methyl -152:sc= -0.145 (180deg=-0.44) USER MOD Single : A 43 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.9) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -105:sc= 0.476 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.818 USER MOD Single : A 59 GLN : amide:sc= -4.62 K(o=-4.6,f=-6.3!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.032) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 77 SER OG : rot 130:sc= -0.284 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 78:sc= 1.21 USER MOD Single : A 88 LYS NZ :NH3+ -127:sc= -1.63! (180deg=-4.37!) USER MOD Single : A 97 ASN : amide:sc= -0.0233 K(o=-0.023,f=-0.79) 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= 0.191 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot -30:sc= -0.752 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -5.356 9.907 3.564 1.00 35.21 N ATOM 78 CA ASP A 8 -5.488 8.483 3.275 1.00 42.32 C ATOM 79 C ASP A 8 -4.362 7.689 3.931 1.00 21.23 C ATOM 80 O ASP A 8 -4.499 6.493 4.182 1.00 75.30 O ATOM 81 CB ASP A 8 -5.484 8.245 1.764 1.00 41.12 C ATOM 82 CG ASP A 8 -6.329 7.052 1.364 1.00 40.32 C ATOM 83 OD1 ASP A 8 -5.960 6.363 0.389 1.00 3.34 O ATOM 84 OD2 ASP A 8 -7.358 6.806 2.025 1.00 42.25 O ATOM 0 HA ASP A 8 -6.437 8.140 3.686 1.00 42.32 H new ATOM 0 HB2 ASP A 8 -5.856 9.136 1.258 1.00 41.12 H new ATOM 0 HB3 ASP A 8 -4.459 8.090 1.426 1.00 41.12 H new ATOM 89 N TRP A 9 -3.252 8.363 4.203 1.00 0.51 N ATOM 90 CA TRP A 9 -2.101 7.721 4.829 1.00 74.23 C ATOM 91 C TRP A 9 -2.394 7.381 6.287 1.00 11.12 C ATOM 92 O TRP A 9 -2.407 6.211 6.671 1.00 40.01 O ATOM 93 CB TRP A 9 -0.873 8.627 4.740 1.00 71.14 C ATOM 94 CG TRP A 9 0.282 8.145 5.565 1.00 71.12 C ATOM 95 CD1 TRP A 9 0.841 8.777 6.639 1.00 14.15 C ATOM 96 CD2 TRP A 9 1.019 6.931 5.383 1.00 22.01 C ATOM 97 NE1 TRP A 9 1.882 8.029 7.135 1.00 21.51 N ATOM 98 CE2 TRP A 9 2.011 6.891 6.382 1.00 44.43 C ATOM 99 CE3 TRP A 9 0.935 5.874 4.473 1.00 34.11 C ATOM 100 CZ2 TRP A 9 2.912 5.836 6.495 1.00 64.12 C ATOM 101 CZ3 TRP A 9 1.831 4.827 4.586 1.00 51.43 C ATOM 102 CH2 TRP A 9 2.807 4.813 5.591 1.00 4.15 C ATOM 0 H TRP A 9 -3.123 9.354 4.000 1.00 0.51 H new ATOM 0 HA TRP A 9 -1.898 6.794 4.293 1.00 74.23 H new ATOM 0 HB2 TRP A 9 -0.560 8.702 3.699 1.00 71.14 H new ATOM 0 HB3 TRP A 9 -1.147 9.631 5.063 1.00 71.14 H new ATOM 0 HD1 TRP A 9 0.513 9.725 7.040 1.00 14.15 H new ATOM 0 HE1 TRP A 9 2.464 8.280 7.934 1.00 21.51 H new ATOM 0 HE3 TRP A 9 0.185 5.875 3.696 1.00 34.11 H new ATOM 0 HZ2 TRP A 9 3.666 5.825 7.268 1.00 64.12 H new ATOM 0 HZ3 TRP A 9 1.778 4.005 3.887 1.00 51.43 H new ATOM 0 HH2 TRP A 9 3.490 3.979 5.654 1.00 4.15 H new ATOM 113 N LYS A 10 -2.627 8.410 7.093 1.00 74.04 N ATOM 114 CA LYS A 10 -2.921 8.221 8.509 1.00 52.11 C ATOM 115 C LYS A 10 -4.274 7.542 8.699 1.00 22.34 C ATOM 116 O LYS A 10 -4.529 6.923 9.731 1.00 73.30 O ATOM 117 CB LYS A 10 -2.907 9.566 9.238 1.00 62.03 C ATOM 118 CG LYS A 10 -2.797 9.440 10.747 1.00 51.03 C ATOM 119 CD LYS A 10 -3.165 10.739 11.445 1.00 31.33 C ATOM 120 CE LYS A 10 -4.545 10.660 12.079 1.00 2.24 C ATOM 121 NZ LYS A 10 -5.094 12.010 12.382 1.00 4.32 N ATOM 0 H LYS A 10 -2.618 9.384 6.791 1.00 74.04 H new ATOM 0 HA LYS A 10 -2.149 7.577 8.931 1.00 52.11 H new ATOM 0 HB2 LYS A 10 -2.071 10.160 8.870 1.00 62.03 H new ATOM 0 HB3 LYS A 10 -3.818 10.112 8.993 1.00 62.03 H new ATOM 0 HG2 LYS A 10 -3.452 8.641 11.095 1.00 51.03 H new ATOM 0 HG3 LYS A 10 -1.779 9.157 11.016 1.00 51.03 H new ATOM 0 HD2 LYS A 10 -2.424 10.964 12.212 1.00 31.33 H new ATOM 0 HD3 LYS A 10 -3.140 11.559 10.727 1.00 31.33 H new ATOM 0 HE2 LYS A 10 -5.224 10.134 11.407 1.00 2.24 H new ATOM 0 HE3 LYS A 10 -4.490 10.076 12.998 1.00 2.24 H new ATOM 0 HZ1 LYS A 10 -6.036 11.913 12.813 1.00 4.32 H new ATOM 0 HZ2 LYS A 10 -4.460 12.502 13.043 1.00 4.32 H new ATOM 0 HZ3 LYS A 10 -5.171 12.559 11.502 1.00 4.32 H new ATOM 135 N MET A 11 -5.137 7.662 7.695 1.00 22.14 N ATOM 136 CA MET A 11 -6.462 7.057 7.751 1.00 4.23 C ATOM 137 C MET A 11 -6.387 5.558 7.480 1.00 62.42 C ATOM 138 O MET A 11 -6.884 4.750 8.265 1.00 4.21 O ATOM 139 CB MET A 11 -7.394 7.725 6.737 1.00 70.52 C ATOM 140 CG MET A 11 -7.899 9.088 7.182 1.00 35.21 C ATOM 141 SD MET A 11 -9.661 9.086 7.562 1.00 73.03 S ATOM 142 CE MET A 11 -9.623 8.878 9.341 1.00 44.25 C ATOM 0 H MET A 11 -4.942 8.172 6.834 1.00 22.14 H new ATOM 0 HA MET A 11 -6.861 7.207 8.754 1.00 4.23 H new ATOM 0 HB2 MET A 11 -6.868 7.833 5.789 1.00 70.52 H new ATOM 0 HB3 MET A 11 -8.248 7.072 6.555 1.00 70.52 H new ATOM 0 HG2 MET A 11 -7.342 9.408 8.063 1.00 35.21 H new ATOM 0 HG3 MET A 11 -7.701 9.818 6.397 1.00 35.21 H new ATOM 0 HE1 MET A 11 -10.642 8.858 9.727 1.00 44.25 H new ATOM 0 HE2 MET A 11 -9.123 7.941 9.587 1.00 44.25 H new ATOM 0 HE3 MET A 11 -9.081 9.708 9.793 1.00 44.25 H new ATOM 152 N ALA A 12 -5.766 5.193 6.364 1.00 32.24 N ATOM 153 CA ALA A 12 -5.625 3.791 5.991 1.00 21.44 C ATOM 154 C ALA A 12 -4.927 2.998 7.091 1.00 21.54 C ATOM 155 O ALA A 12 -5.345 1.891 7.430 1.00 44.24 O ATOM 156 CB ALA A 12 -4.860 3.667 4.682 1.00 31.23 C ATOM 0 H ALA A 12 -5.352 5.849 5.702 1.00 32.24 H new ATOM 0 HA ALA A 12 -6.623 3.375 5.856 1.00 21.44 H new ATOM 0 HB1 ALA A 12 -4.762 2.614 4.416 1.00 31.23 H new ATOM 0 HB2 ALA A 12 -5.400 4.192 3.894 1.00 31.23 H new ATOM 0 HB3 ALA A 12 -3.869 4.106 4.797 1.00 31.23 H new ATOM 162 N ILE A 13 -3.862 3.571 7.642 1.00 21.44 N ATOM 163 CA ILE A 13 -3.107 2.917 8.703 1.00 73.10 C ATOM 164 C ILE A 13 -3.942 2.786 9.972 1.00 4.11 C ATOM 165 O ILE A 13 -4.158 1.684 10.476 1.00 53.42 O ATOM 166 CB ILE A 13 -1.813 3.686 9.029 1.00 61.35 C ATOM 167 CG1 ILE A 13 -0.901 3.738 7.802 1.00 74.43 C ATOM 168 CG2 ILE A 13 -1.095 3.037 10.204 1.00 3.34 C ATOM 169 CD1 ILE A 13 -0.364 2.384 7.391 1.00 71.21 C ATOM 0 H ILE A 13 -3.503 4.486 7.371 1.00 21.44 H new ATOM 0 HA ILE A 13 -2.847 1.923 8.339 1.00 73.10 H new ATOM 0 HB ILE A 13 -2.074 4.707 9.306 1.00 61.35 H new ATOM 0 HG12 ILE A 13 -1.453 4.170 6.967 1.00 74.43 H new ATOM 0 HG13 ILE A 13 -0.064 4.404 8.009 1.00 74.43 H new ATOM 0 HG21 ILE A 13 -0.182 3.591 10.423 1.00 3.34 H new ATOM 0 HG22 ILE A 13 -1.745 3.048 11.079 1.00 3.34 H new ATOM 0 HG23 ILE A 13 -0.843 2.007 9.952 1.00 3.34 H new ATOM 0 HD11 ILE A 13 0.275 2.497 6.515 1.00 71.21 H new ATOM 0 HD12 ILE A 13 0.216 1.959 8.210 1.00 71.21 H new ATOM 0 HD13 ILE A 13 -1.195 1.720 7.152 1.00 71.21 H new ATOM 181 N LYS A 14 -4.413 3.919 10.483 1.00 11.32 N ATOM 182 CA LYS A 14 -5.228 3.934 11.691 1.00 12.40 C ATOM 183 C LYS A 14 -6.476 3.076 11.516 1.00 61.24 C ATOM 184 O LYS A 14 -7.063 2.611 12.494 1.00 61.43 O ATOM 185 CB LYS A 14 -5.628 5.368 12.044 1.00 12.22 C ATOM 186 CG LYS A 14 -6.233 5.508 13.430 1.00 70.43 C ATOM 187 CD LYS A 14 -6.461 6.965 13.796 1.00 35.22 C ATOM 188 CE LYS A 14 -7.796 7.469 13.273 1.00 5.15 C ATOM 189 NZ LYS A 14 -8.605 8.112 14.346 1.00 30.23 N ATOM 0 H LYS A 14 -4.244 4.840 10.078 1.00 11.32 H new ATOM 0 HA LYS A 14 -4.634 3.518 12.505 1.00 12.40 H new ATOM 0 HB2 LYS A 14 -4.749 6.009 11.974 1.00 12.22 H new ATOM 0 HB3 LYS A 14 -6.345 5.728 11.306 1.00 12.22 H new ATOM 0 HG2 LYS A 14 -7.180 4.970 13.470 1.00 70.43 H new ATOM 0 HG3 LYS A 14 -5.573 5.047 14.164 1.00 70.43 H new ATOM 0 HD2 LYS A 14 -6.427 7.078 14.880 1.00 35.22 H new ATOM 0 HD3 LYS A 14 -5.655 7.574 13.387 1.00 35.22 H new ATOM 0 HE2 LYS A 14 -7.624 8.185 12.469 1.00 5.15 H new ATOM 0 HE3 LYS A 14 -8.356 6.637 12.845 1.00 5.15 H new ATOM 0 HZ1 LYS A 14 -9.508 8.442 13.949 1.00 30.23 H new ATOM 0 HZ2 LYS A 14 -8.791 7.422 15.102 1.00 30.23 H new ATOM 0 HZ3 LYS A 14 -8.082 8.921 14.737 1.00 30.23 H new ATOM 203 N ARG A 15 -6.875 2.868 10.266 1.00 34.51 N ATOM 204 CA ARG A 15 -8.054 2.065 9.963 1.00 74.45 C ATOM 205 C ARG A 15 -7.708 0.579 9.942 1.00 35.32 C ATOM 206 O ARG A 15 -8.245 -0.206 10.726 1.00 2.04 O ATOM 207 CB ARG A 15 -8.648 2.480 8.617 1.00 45.21 C ATOM 208 CG ARG A 15 -9.863 1.663 8.210 1.00 22.43 C ATOM 209 CD ARG A 15 -10.748 2.427 7.235 1.00 53.15 C ATOM 210 NE ARG A 15 -11.232 3.680 7.806 1.00 24.44 N ATOM 211 CZ ARG A 15 -11.727 4.676 7.077 1.00 54.14 C ATOM 212 NH1 ARG A 15 -11.802 4.563 5.759 1.00 10.20 N ATOM 213 NH2 ARG A 15 -12.148 5.787 7.669 1.00 74.50 N ATOM 0 H ARG A 15 -6.399 3.244 9.446 1.00 34.51 H new ATOM 0 HA ARG A 15 -8.792 2.238 10.746 1.00 74.45 H new ATOM 0 HB2 ARG A 15 -8.927 3.533 8.662 1.00 45.21 H new ATOM 0 HB3 ARG A 15 -7.882 2.385 7.847 1.00 45.21 H new ATOM 0 HG2 ARG A 15 -9.538 0.729 7.752 1.00 22.43 H new ATOM 0 HG3 ARG A 15 -10.440 1.400 9.097 1.00 22.43 H new ATOM 0 HD2 ARG A 15 -10.188 2.636 6.324 1.00 53.15 H new ATOM 0 HD3 ARG A 15 -11.597 1.805 6.952 1.00 53.15 H new ATOM 0 HE ARG A 15 -11.188 3.798 8.818 1.00 24.44 H new ATOM 0 HH11 ARG A 15 -11.480 3.710 5.301 1.00 10.20 H new ATOM 0 HH12 ARG A 15 -12.182 5.329 5.202 1.00 10.20 H new ATOM 0 HH21 ARG A 15 -12.092 5.877 8.683 1.00 74.50 H new ATOM 0 HH22 ARG A 15 -12.528 6.551 7.109 1.00 74.50 H new ATOM 227 N CYS A 16 -6.810 0.199 9.039 1.00 54.55 N ATOM 228 CA CYS A 16 -6.393 -1.194 8.916 1.00 24.40 C ATOM 229 C CYS A 16 -5.744 -1.684 10.205 1.00 13.31 C ATOM 230 O CYS A 16 -5.627 -2.888 10.434 1.00 34.41 O ATOM 231 CB CYS A 16 -5.420 -1.354 7.746 1.00 44.44 C ATOM 232 SG CYS A 16 -3.768 -0.693 8.066 1.00 13.25 S ATOM 0 H CYS A 16 -6.357 0.835 8.382 1.00 54.55 H new ATOM 0 HA CYS A 16 -7.280 -1.798 8.727 1.00 24.40 H new ATOM 0 HB2 CYS A 16 -5.335 -2.412 7.500 1.00 44.44 H new ATOM 0 HB3 CYS A 16 -5.836 -0.856 6.870 1.00 44.44 H new ATOM 0 HG CYS A 16 -2.939 -1.674 8.268 1.00 13.25 H new ATOM 238 N SER A 17 -5.320 -0.744 11.043 1.00 33.13 N ATOM 239 CA SER A 17 -4.675 -1.080 12.307 1.00 20.10 C ATOM 240 C SER A 17 -5.566 -1.994 13.144 1.00 34.12 C ATOM 241 O SER A 17 -5.081 -2.751 13.984 1.00 53.10 O ATOM 242 CB SER A 17 -4.350 0.192 13.093 1.00 32.34 C ATOM 243 OG SER A 17 -2.989 0.553 12.936 1.00 62.30 O ATOM 0 H SER A 17 -5.411 0.257 10.870 1.00 33.13 H new ATOM 0 HA SER A 17 -3.748 -1.608 12.084 1.00 20.10 H new ATOM 0 HB2 SER A 17 -4.988 1.007 12.752 1.00 32.34 H new ATOM 0 HB3 SER A 17 -4.569 0.037 14.149 1.00 32.34 H new ATOM 0 HG SER A 17 -2.878 1.055 12.102 1.00 62.30 H new ATOM 249 N ASN A 18 -6.871 -1.917 12.906 1.00 54.11 N ATOM 250 CA ASN A 18 -7.831 -2.737 13.638 1.00 12.32 C ATOM 251 C ASN A 18 -8.203 -3.982 12.839 1.00 30.11 C ATOM 252 O ASN A 18 -9.307 -4.511 12.972 1.00 22.13 O ATOM 253 CB ASN A 18 -9.088 -1.925 13.955 1.00 33.40 C ATOM 254 CG ASN A 18 -9.499 -2.041 15.410 1.00 71.14 C ATOM 255 OD1 ASN A 18 -9.483 -1.058 16.151 1.00 64.21 O ATOM 256 ND2 ASN A 18 -9.869 -3.247 15.826 1.00 44.15 N ATOM 0 H ASN A 18 -7.288 -1.296 12.213 1.00 54.11 H new ATOM 0 HA ASN A 18 -7.366 -3.053 14.572 1.00 12.32 H new ATOM 0 HB2 ASN A 18 -8.911 -0.877 13.713 1.00 33.40 H new ATOM 0 HB3 ASN A 18 -9.907 -2.265 13.321 1.00 33.40 H new ATOM 0 HD21 ASN A 18 -10.155 -3.387 16.795 1.00 44.15 H new ATOM 0 HD22 ASN A 18 -9.867 -4.033 15.176 1.00 44.15 H new ATOM 263 N VAL A 19 -7.274 -4.445 12.009 1.00 60.54 N ATOM 264 CA VAL A 19 -7.504 -5.630 11.190 1.00 14.31 C ATOM 265 C VAL A 19 -6.716 -6.825 11.718 1.00 5.14 C ATOM 266 O VAL A 19 -5.497 -6.761 11.865 1.00 1.52 O ATOM 267 CB VAL A 19 -7.113 -5.380 9.721 1.00 14.34 C ATOM 268 CG1 VAL A 19 -7.269 -6.653 8.903 1.00 1.05 C ATOM 269 CG2 VAL A 19 -7.948 -4.252 9.133 1.00 14.05 C ATOM 0 H VAL A 19 -6.356 -4.018 11.886 1.00 60.54 H new ATOM 0 HA VAL A 19 -8.570 -5.850 11.243 1.00 14.31 H new ATOM 0 HB VAL A 19 -6.065 -5.082 9.687 1.00 14.34 H new ATOM 0 HG11 VAL A 19 -6.988 -6.457 7.868 1.00 1.05 H new ATOM 0 HG12 VAL A 19 -6.624 -7.430 9.313 1.00 1.05 H new ATOM 0 HG13 VAL A 19 -8.307 -6.985 8.941 1.00 1.05 H new ATOM 0 HG21 VAL A 19 -7.659 -4.088 8.095 1.00 14.05 H new ATOM 0 HG22 VAL A 19 -9.004 -4.519 9.178 1.00 14.05 H new ATOM 0 HG23 VAL A 19 -7.780 -3.339 9.704 1.00 14.05 H new ATOM 279 N ALA A 20 -7.424 -7.914 12.000 1.00 12.03 N ATOM 280 CA ALA A 20 -6.791 -9.124 12.508 1.00 42.35 C ATOM 281 C ALA A 20 -6.127 -9.911 11.383 1.00 13.42 C ATOM 282 O ALA A 20 -6.783 -10.320 10.426 1.00 73.34 O ATOM 283 CB ALA A 20 -7.813 -9.990 13.229 1.00 73.42 C ATOM 0 H ALA A 20 -8.435 -7.983 11.885 1.00 12.03 H new ATOM 0 HA ALA A 20 -6.016 -8.830 13.216 1.00 42.35 H new ATOM 0 HB1 ALA A 20 -7.327 -10.891 13.604 1.00 73.42 H new ATOM 0 HB2 ALA A 20 -8.238 -9.433 14.064 1.00 73.42 H new ATOM 0 HB3 ALA A 20 -8.608 -10.268 12.537 1.00 73.42 H new ATOM 289 N VAL A 21 -4.819 -10.117 11.504 1.00 75.23 N ATOM 290 CA VAL A 21 -4.065 -10.856 10.498 1.00 43.33 C ATOM 291 C VAL A 21 -4.618 -12.265 10.321 1.00 42.44 C ATOM 292 O VAL A 21 -4.470 -12.873 9.262 1.00 50.40 O ATOM 293 CB VAL A 21 -2.572 -10.944 10.868 1.00 74.43 C ATOM 294 CG1 VAL A 21 -1.769 -11.518 9.710 1.00 42.43 C ATOM 295 CG2 VAL A 21 -2.042 -9.577 11.270 1.00 41.41 C ATOM 0 H VAL A 21 -4.260 -9.782 12.289 1.00 75.23 H new ATOM 0 HA VAL A 21 -4.168 -10.309 9.561 1.00 43.33 H new ATOM 0 HB VAL A 21 -2.465 -11.614 11.721 1.00 74.43 H new ATOM 0 HG11 VAL A 21 -0.717 -11.573 9.989 1.00 42.43 H new ATOM 0 HG12 VAL A 21 -2.135 -12.517 9.474 1.00 42.43 H new ATOM 0 HG13 VAL A 21 -1.880 -10.875 8.837 1.00 42.43 H new ATOM 0 HG21 VAL A 21 -0.986 -9.658 11.528 1.00 41.41 H new ATOM 0 HG22 VAL A 21 -2.160 -8.882 10.439 1.00 41.41 H new ATOM 0 HG23 VAL A 21 -2.599 -9.210 12.132 1.00 41.41 H new ATOM 375 N LYS A 28 -4.822 -11.103 16.964 1.00 53.11 N ATOM 376 CA LYS A 28 -3.820 -10.050 16.856 1.00 54.21 C ATOM 377 C LYS A 28 -3.952 -9.307 15.530 1.00 53.42 C ATOM 378 O LYS A 28 -4.075 -9.922 14.472 1.00 31.24 O ATOM 379 CB LYS A 28 -2.414 -10.641 16.982 1.00 55.12 C ATOM 380 CG LYS A 28 -1.884 -10.651 18.406 1.00 53.51 C ATOM 381 CD LYS A 28 -1.792 -12.064 18.957 1.00 42.14 C ATOM 382 CE LYS A 28 -0.373 -12.603 18.875 1.00 75.52 C ATOM 383 NZ LYS A 28 -0.073 -13.548 19.986 1.00 14.14 N ATOM 0 HA LYS A 28 -3.985 -9.342 17.668 1.00 54.21 H new ATOM 0 HB2 LYS A 28 -2.422 -11.661 16.599 1.00 55.12 H new ATOM 0 HB3 LYS A 28 -1.731 -10.070 16.353 1.00 55.12 H new ATOM 0 HG2 LYS A 28 -0.899 -10.185 18.432 1.00 53.51 H new ATOM 0 HG3 LYS A 28 -2.537 -10.053 19.042 1.00 53.51 H new ATOM 0 HD2 LYS A 28 -2.126 -12.074 19.994 1.00 42.14 H new ATOM 0 HD3 LYS A 28 -2.463 -12.717 18.400 1.00 42.14 H new ATOM 0 HE2 LYS A 28 -0.231 -13.109 17.920 1.00 75.52 H new ATOM 0 HE3 LYS A 28 0.333 -11.773 18.904 1.00 75.52 H new ATOM 0 HZ1 LYS A 28 0.904 -13.893 19.894 1.00 14.14 H new ATOM 0 HZ2 LYS A 28 -0.183 -13.059 20.897 1.00 14.14 H new ATOM 0 HZ3 LYS A 28 -0.730 -14.353 19.944 1.00 14.14 H new ATOM 397 N LYS A 29 -3.925 -7.980 15.597 1.00 61.30 N ATOM 398 CA LYS A 29 -4.040 -7.152 14.402 1.00 14.01 C ATOM 399 C LYS A 29 -2.686 -6.565 14.014 1.00 54.34 C ATOM 400 O LYS A 29 -1.776 -6.482 14.840 1.00 14.43 O ATOM 401 CB LYS A 29 -5.049 -6.024 14.633 1.00 31.44 C ATOM 402 CG LYS A 29 -4.821 -5.260 15.926 1.00 21.23 C ATOM 403 CD LYS A 29 -5.654 -5.827 17.063 1.00 10.44 C ATOM 404 CE LYS A 29 -4.891 -5.798 18.379 1.00 64.53 C ATOM 405 NZ LYS A 29 -5.361 -6.857 19.315 1.00 72.23 N ATOM 0 H LYS A 29 -3.825 -7.455 16.466 1.00 61.30 H new ATOM 0 HA LYS A 29 -4.390 -7.783 13.585 1.00 14.01 H new ATOM 0 HB2 LYS A 29 -5.001 -5.328 13.796 1.00 31.44 H new ATOM 0 HB3 LYS A 29 -6.055 -6.444 14.641 1.00 31.44 H new ATOM 0 HG2 LYS A 29 -3.765 -5.301 16.192 1.00 21.23 H new ATOM 0 HG3 LYS A 29 -5.072 -4.210 15.778 1.00 21.23 H new ATOM 0 HD2 LYS A 29 -6.575 -5.253 17.162 1.00 10.44 H new ATOM 0 HD3 LYS A 29 -5.941 -6.852 16.830 1.00 10.44 H new ATOM 0 HE2 LYS A 29 -3.827 -5.931 18.185 1.00 64.53 H new ATOM 0 HE3 LYS A 29 -5.010 -4.821 18.847 1.00 64.53 H new ATOM 0 HZ1 LYS A 29 -4.817 -6.805 20.200 1.00 72.23 H new ATOM 0 HZ2 LYS A 29 -6.371 -6.716 19.520 1.00 72.23 H new ATOM 0 HZ3 LYS A 29 -5.224 -7.791 18.879 1.00 72.23 H new ATOM 419 N PHE A 30 -2.560 -6.159 12.756 1.00 24.21 N ATOM 420 CA PHE A 30 -1.318 -5.579 12.260 1.00 52.50 C ATOM 421 C PHE A 30 -1.397 -4.055 12.244 1.00 52.43 C ATOM 422 O PHE A 30 -2.424 -3.480 11.888 1.00 11.41 O ATOM 423 CB PHE A 30 -1.012 -6.100 10.854 1.00 1.41 C ATOM 424 CG PHE A 30 -1.863 -5.475 9.786 1.00 14.23 C ATOM 425 CD1 PHE A 30 -1.462 -4.306 9.158 1.00 43.24 C ATOM 426 CD2 PHE A 30 -3.063 -6.056 9.409 1.00 72.12 C ATOM 427 CE1 PHE A 30 -2.243 -3.729 8.174 1.00 42.11 C ATOM 428 CE2 PHE A 30 -3.847 -5.484 8.426 1.00 31.34 C ATOM 429 CZ PHE A 30 -3.437 -4.318 7.808 1.00 42.21 C ATOM 0 H PHE A 30 -3.303 -6.221 12.060 1.00 24.21 H new ATOM 0 HA PHE A 30 -0.514 -5.876 12.933 1.00 52.50 H new ATOM 0 HB2 PHE A 30 0.038 -5.914 10.626 1.00 1.41 H new ATOM 0 HB3 PHE A 30 -1.155 -7.180 10.836 1.00 1.41 H new ATOM 0 HD1 PHE A 30 -0.529 -3.841 9.441 1.00 43.24 H new ATOM 0 HD2 PHE A 30 -3.389 -6.967 9.889 1.00 72.12 H new ATOM 0 HE1 PHE A 30 -1.919 -2.818 7.692 1.00 42.11 H new ATOM 0 HE2 PHE A 30 -4.780 -5.948 8.141 1.00 31.34 H new ATOM 0 HZ PHE A 30 -4.049 -3.868 7.040 1.00 42.21 H new ATOM 439 N GLY A 31 -0.302 -3.407 12.634 1.00 23.52 N ATOM 440 CA GLY A 31 -0.268 -1.957 12.658 1.00 45.50 C ATOM 441 C GLY A 31 0.656 -1.381 11.603 1.00 73.13 C ATOM 442 O GLY A 31 1.099 -2.093 10.702 1.00 63.21 O ATOM 0 H GLY A 31 0.561 -3.861 12.933 1.00 23.52 H new ATOM 0 HA2 GLY A 31 -1.276 -1.570 12.504 1.00 45.50 H new ATOM 0 HA3 GLY A 31 0.056 -1.620 13.643 1.00 45.50 H new ATOM 446 N GLU A 32 0.947 -0.089 11.715 1.00 14.34 N ATOM 447 CA GLU A 32 1.824 0.582 10.761 1.00 70.23 C ATOM 448 C GLU A 32 3.163 -0.142 10.650 1.00 64.14 C ATOM 449 O GLU A 32 3.784 -0.161 9.589 1.00 3.43 O ATOM 450 CB GLU A 32 2.051 2.036 11.180 1.00 23.15 C ATOM 451 CG GLU A 32 3.013 2.191 12.344 1.00 2.33 C ATOM 452 CD GLU A 32 3.052 3.608 12.885 1.00 65.12 C ATOM 453 OE1 GLU A 32 2.155 4.402 12.530 1.00 1.20 O ATOM 454 OE2 GLU A 32 3.977 3.922 13.661 1.00 41.13 O ATOM 0 H GLU A 32 0.589 0.514 12.456 1.00 14.34 H new ATOM 0 HA GLU A 32 1.339 0.564 9.785 1.00 70.23 H new ATOM 0 HB2 GLU A 32 2.434 2.596 10.326 1.00 23.15 H new ATOM 0 HB3 GLU A 32 1.093 2.481 11.450 1.00 23.15 H new ATOM 0 HG2 GLU A 32 2.723 1.509 13.143 1.00 2.33 H new ATOM 0 HG3 GLU A 32 4.014 1.901 12.024 1.00 2.33 H new ATOM 461 N GLY A 33 3.600 -0.737 11.756 1.00 34.14 N ATOM 462 CA GLY A 33 4.863 -1.453 11.762 1.00 20.50 C ATOM 463 C GLY A 33 4.852 -2.654 10.837 1.00 40.30 C ATOM 464 O GLY A 33 5.706 -2.778 9.961 1.00 14.35 O ATOM 0 H GLY A 33 3.103 -0.736 12.647 1.00 34.14 H new ATOM 0 HA2 GLY A 33 5.663 -0.775 11.463 1.00 20.50 H new ATOM 0 HA3 GLY A 33 5.086 -1.782 12.777 1.00 20.50 H new ATOM 468 N ASN A 34 3.882 -3.542 11.032 1.00 13.31 N ATOM 469 CA ASN A 34 3.766 -4.741 10.210 1.00 1.44 C ATOM 470 C ASN A 34 3.580 -4.375 8.739 1.00 53.45 C ATOM 471 O ASN A 34 4.139 -5.021 7.853 1.00 11.14 O ATOM 472 CB ASN A 34 2.592 -5.599 10.686 1.00 14.45 C ATOM 473 CG ASN A 34 2.959 -6.474 11.869 1.00 13.21 C ATOM 474 OD1 ASN A 34 4.048 -6.353 12.431 1.00 13.03 O ATOM 475 ND2 ASN A 34 2.050 -7.362 12.254 1.00 4.11 N ATOM 0 H ASN A 34 3.165 -3.454 11.752 1.00 13.31 H new ATOM 0 HA ASN A 34 4.689 -5.312 10.311 1.00 1.44 H new ATOM 0 HB2 ASN A 34 1.760 -4.951 10.961 1.00 14.45 H new ATOM 0 HB3 ASN A 34 2.248 -6.228 9.865 1.00 14.45 H new ATOM 0 HD21 ASN A 34 2.241 -7.978 13.044 1.00 4.11 H new ATOM 0 HD22 ASN A 34 1.160 -7.428 11.760 1.00 4.11 H new ATOM 482 N PHE A 35 2.791 -3.336 8.490 1.00 22.52 N ATOM 483 CA PHE A 35 2.530 -2.885 7.128 1.00 63.42 C ATOM 484 C PHE A 35 3.833 -2.562 6.403 1.00 52.20 C ATOM 485 O PHE A 35 4.049 -2.992 5.269 1.00 54.14 O ATOM 486 CB PHE A 35 1.622 -1.653 7.141 1.00 22.32 C ATOM 487 CG PHE A 35 1.466 -1.008 5.794 1.00 34.54 C ATOM 488 CD1 PHE A 35 1.148 -1.770 4.680 1.00 1.04 C ATOM 489 CD2 PHE A 35 1.638 0.357 5.640 1.00 3.52 C ATOM 490 CE1 PHE A 35 1.004 -1.180 3.438 1.00 24.41 C ATOM 491 CE2 PHE A 35 1.495 0.953 4.400 1.00 63.43 C ATOM 492 CZ PHE A 35 1.178 0.183 3.298 1.00 72.35 C ATOM 0 H PHE A 35 2.321 -2.791 9.213 1.00 22.52 H new ATOM 0 HA PHE A 35 2.028 -3.692 6.595 1.00 63.42 H new ATOM 0 HB2 PHE A 35 0.639 -1.940 7.513 1.00 22.32 H new ATOM 0 HB3 PHE A 35 2.026 -0.921 7.841 1.00 22.32 H new ATOM 0 HD1 PHE A 35 1.011 -2.836 4.784 1.00 1.04 H new ATOM 0 HD2 PHE A 35 1.887 0.964 6.498 1.00 3.52 H new ATOM 0 HE1 PHE A 35 0.756 -1.784 2.578 1.00 24.41 H new ATOM 0 HE2 PHE A 35 1.631 2.019 4.294 1.00 63.43 H new ATOM 0 HZ PHE A 35 1.066 0.646 2.329 1.00 72.35 H new ATOM 502 N ARG A 36 4.699 -1.801 7.065 1.00 63.34 N ATOM 503 CA ARG A 36 5.980 -1.419 6.484 1.00 23.44 C ATOM 504 C ARG A 36 6.846 -2.648 6.220 1.00 3.02 C ATOM 505 O ARG A 36 7.533 -2.728 5.201 1.00 52.35 O ATOM 506 CB ARG A 36 6.717 -0.453 7.413 1.00 32.01 C ATOM 507 CG ARG A 36 5.920 0.796 7.749 1.00 11.21 C ATOM 508 CD ARG A 36 6.245 1.305 9.145 1.00 5.23 C ATOM 509 NE ARG A 36 7.584 1.885 9.219 1.00 21.44 N ATOM 510 CZ ARG A 36 8.112 2.376 10.334 1.00 1.11 C ATOM 511 NH1 ARG A 36 7.418 2.359 11.463 1.00 73.05 N ATOM 512 NH2 ARG A 36 9.337 2.887 10.321 1.00 70.31 N ATOM 0 H ARG A 36 4.536 -1.437 8.004 1.00 63.34 H new ATOM 0 HA ARG A 36 5.786 -0.922 5.534 1.00 23.44 H new ATOM 0 HB2 ARG A 36 6.969 -0.973 8.337 1.00 32.01 H new ATOM 0 HB3 ARG A 36 7.657 -0.159 6.946 1.00 32.01 H new ATOM 0 HG2 ARG A 36 6.136 1.575 7.017 1.00 11.21 H new ATOM 0 HG3 ARG A 36 4.854 0.579 7.679 1.00 11.21 H new ATOM 0 HD2 ARG A 36 5.509 2.054 9.438 1.00 5.23 H new ATOM 0 HD3 ARG A 36 6.166 0.484 9.858 1.00 5.23 H new ATOM 0 HE ARG A 36 8.144 1.914 8.367 1.00 21.44 H new ATOM 0 HH11 ARG A 36 6.476 1.968 11.477 1.00 73.05 H new ATOM 0 HH12 ARG A 36 7.826 2.737 12.318 1.00 73.05 H new ATOM 0 HH21 ARG A 36 9.874 2.903 9.454 1.00 70.31 H new ATOM 0 HH22 ARG A 36 9.741 3.264 11.178 1.00 70.31 H new ATOM 526 N TRP A 37 6.807 -3.602 7.143 1.00 23.02 N ATOM 527 CA TRP A 37 7.588 -4.826 7.011 1.00 21.11 C ATOM 528 C TRP A 37 7.170 -5.606 5.769 1.00 15.43 C ATOM 529 O TRP A 37 7.990 -6.277 5.142 1.00 24.01 O ATOM 530 CB TRP A 37 7.424 -5.699 8.255 1.00 45.05 C ATOM 531 CG TRP A 37 8.015 -7.067 8.105 1.00 52.14 C ATOM 532 CD1 TRP A 37 9.233 -7.487 8.558 1.00 55.11 C ATOM 533 CD2 TRP A 37 7.416 -8.193 7.455 1.00 11.03 C ATOM 534 NE1 TRP A 37 9.427 -8.808 8.229 1.00 22.12 N ATOM 535 CE2 TRP A 37 8.327 -9.264 7.553 1.00 2.32 C ATOM 536 CE3 TRP A 37 6.199 -8.402 6.802 1.00 31.21 C ATOM 537 CZ2 TRP A 37 8.056 -10.521 7.019 1.00 41.44 C ATOM 538 CZ3 TRP A 37 5.932 -9.651 6.273 1.00 14.12 C ATOM 539 CH2 TRP A 37 6.857 -10.698 6.385 1.00 0.31 C ATOM 0 H TRP A 37 6.243 -3.551 7.991 1.00 23.02 H new ATOM 0 HA TRP A 37 8.637 -4.548 6.908 1.00 21.11 H new ATOM 0 HB2 TRP A 37 7.892 -5.200 9.104 1.00 45.05 H new ATOM 0 HB3 TRP A 37 6.363 -5.793 8.486 1.00 45.05 H new ATOM 0 HD1 TRP A 37 9.940 -6.872 9.095 1.00 55.11 H new ATOM 0 HE1 TRP A 37 10.256 -9.359 8.452 1.00 22.12 H new ATOM 0 HE3 TRP A 37 5.479 -7.602 6.712 1.00 31.21 H new ATOM 0 HZ2 TRP A 37 8.768 -11.329 7.103 1.00 41.44 H new ATOM 0 HZ3 TRP A 37 4.995 -9.823 5.765 1.00 14.12 H new ATOM 0 HH2 TRP A 37 6.619 -11.663 5.963 1.00 0.31 H new ATOM 550 N ALA A 38 5.892 -5.514 5.419 1.00 3.35 N ATOM 551 CA ALA A 38 5.367 -6.209 4.251 1.00 4.34 C ATOM 552 C ALA A 38 5.831 -5.542 2.960 1.00 34.40 C ATOM 553 O ALA A 38 6.423 -6.189 2.095 1.00 11.32 O ATOM 554 CB ALA A 38 3.847 -6.258 4.305 1.00 22.20 C ATOM 0 H ALA A 38 5.200 -4.964 5.928 1.00 3.35 H new ATOM 0 HA ALA A 38 5.753 -7.228 4.262 1.00 4.34 H new ATOM 0 HB1 ALA A 38 3.468 -6.780 3.426 1.00 22.20 H new ATOM 0 HB2 ALA A 38 3.532 -6.786 5.205 1.00 22.20 H new ATOM 0 HB3 ALA A 38 3.451 -5.243 4.323 1.00 22.20 H new ATOM 560 N ILE A 39 5.559 -4.248 2.838 1.00 63.40 N ATOM 561 CA ILE A 39 5.949 -3.495 1.652 1.00 0.44 C ATOM 562 C ILE A 39 7.466 -3.455 1.502 1.00 31.25 C ATOM 563 O ILE A 39 7.991 -3.475 0.387 1.00 44.30 O ATOM 564 CB ILE A 39 5.411 -2.052 1.699 1.00 35.05 C ATOM 565 CG1 ILE A 39 5.869 -1.355 2.982 1.00 33.14 C ATOM 566 CG2 ILE A 39 3.894 -2.050 1.601 1.00 45.32 C ATOM 567 CD1 ILE A 39 5.362 0.064 3.113 1.00 74.42 C ATOM 0 H ILE A 39 5.070 -3.699 3.545 1.00 63.40 H new ATOM 0 HA ILE A 39 5.514 -4.008 0.794 1.00 0.44 H new ATOM 0 HB ILE A 39 5.811 -1.502 0.847 1.00 35.05 H new ATOM 0 HG12 ILE A 39 5.530 -1.934 3.841 1.00 33.14 H new ATOM 0 HG13 ILE A 39 6.959 -1.347 3.012 1.00 33.14 H new ATOM 0 HG21 ILE A 39 3.529 -1.024 1.636 1.00 45.32 H new ATOM 0 HG22 ILE A 39 3.589 -2.512 0.662 1.00 45.32 H new ATOM 0 HG23 ILE A 39 3.475 -2.613 2.435 1.00 45.32 H new ATOM 0 HD11 ILE A 39 5.726 0.496 4.045 1.00 74.42 H new ATOM 0 HD12 ILE A 39 5.722 0.658 2.273 1.00 74.42 H new ATOM 0 HD13 ILE A 39 4.272 0.062 3.115 1.00 74.42 H new ATOM 579 N ARG A 40 8.166 -3.401 2.630 1.00 14.34 N ATOM 580 CA ARG A 40 9.624 -3.360 2.624 1.00 64.30 C ATOM 581 C ARG A 40 10.203 -4.646 2.042 1.00 23.51 C ATOM 582 O ARG A 40 10.969 -4.614 1.081 1.00 32.12 O ATOM 583 CB ARG A 40 10.156 -3.145 4.042 1.00 23.25 C ATOM 584 CG ARG A 40 11.670 -3.224 4.143 1.00 45.42 C ATOM 585 CD ARG A 40 12.154 -2.866 5.540 1.00 31.22 C ATOM 586 NE ARG A 40 12.743 -1.531 5.589 1.00 21.12 N ATOM 587 CZ ARG A 40 13.960 -1.247 5.137 1.00 21.32 C ATOM 588 NH1 ARG A 40 14.711 -2.200 4.603 1.00 71.12 N ATOM 589 NH2 ARG A 40 14.426 -0.007 5.217 1.00 71.12 N ATOM 0 H ARG A 40 7.748 -3.385 3.560 1.00 14.34 H new ATOM 0 HA ARG A 40 9.935 -2.525 1.996 1.00 64.30 H new ATOM 0 HB2 ARG A 40 9.827 -2.170 4.400 1.00 23.25 H new ATOM 0 HB3 ARG A 40 9.717 -3.892 4.703 1.00 23.25 H new ATOM 0 HG2 ARG A 40 12.001 -4.231 3.889 1.00 45.42 H new ATOM 0 HG3 ARG A 40 12.120 -2.548 3.416 1.00 45.42 H new ATOM 0 HD2 ARG A 40 11.319 -2.920 6.238 1.00 31.22 H new ATOM 0 HD3 ARG A 40 12.891 -3.600 5.868 1.00 31.22 H new ATOM 0 HE ARG A 40 12.190 -0.775 5.992 1.00 21.12 H new ATOM 0 HH11 ARG A 40 14.355 -3.154 4.538 1.00 71.12 H new ATOM 0 HH12 ARG A 40 15.645 -1.980 4.257 1.00 71.12 H new ATOM 0 HH21 ARG A 40 13.850 0.729 5.626 1.00 71.12 H new ATOM 0 HH22 ARG A 40 15.360 0.210 4.870 1.00 71.12 H new ATOM 603 N MET A 41 9.829 -5.777 2.632 1.00 64.03 N ATOM 604 CA MET A 41 10.309 -7.074 2.172 1.00 55.21 C ATOM 605 C MET A 41 9.791 -7.380 0.771 1.00 33.34 C ATOM 606 O MET A 41 10.544 -7.824 -0.096 1.00 2.35 O ATOM 607 CB MET A 41 9.875 -8.176 3.140 1.00 65.54 C ATOM 608 CG MET A 41 10.863 -9.327 3.234 1.00 53.22 C ATOM 609 SD MET A 41 11.116 -9.888 4.930 1.00 10.25 S ATOM 610 CE MET A 41 10.873 -11.652 4.742 1.00 50.25 C ATOM 0 H MET A 41 9.195 -5.821 3.430 1.00 64.03 H new ATOM 0 HA MET A 41 11.398 -7.038 2.138 1.00 55.21 H new ATOM 0 HB2 MET A 41 9.738 -7.744 4.131 1.00 65.54 H new ATOM 0 HB3 MET A 41 8.907 -8.564 2.825 1.00 65.54 H new ATOM 0 HG2 MET A 41 10.503 -10.160 2.630 1.00 53.22 H new ATOM 0 HG3 MET A 41 11.819 -9.016 2.812 1.00 53.22 H new ATOM 0 HE1 MET A 41 10.506 -12.071 5.679 1.00 50.25 H new ATOM 0 HE2 MET A 41 10.145 -11.837 3.952 1.00 50.25 H new ATOM 0 HE3 MET A 41 11.820 -12.124 4.480 1.00 50.25 H new ATOM 620 N ALA A 42 8.502 -7.141 0.555 1.00 62.04 N ATOM 621 CA ALA A 42 7.885 -7.389 -0.742 1.00 12.51 C ATOM 622 C ALA A 42 8.559 -6.569 -1.837 1.00 53.10 C ATOM 623 O ALA A 42 8.718 -7.034 -2.964 1.00 11.54 O ATOM 624 CB ALA A 42 6.397 -7.076 -0.687 1.00 52.23 C ATOM 0 H ALA A 42 7.864 -6.776 1.262 1.00 62.04 H new ATOM 0 HA ALA A 42 8.015 -8.444 -0.982 1.00 12.51 H new ATOM 0 HB1 ALA A 42 5.949 -7.266 -1.662 1.00 52.23 H new ATOM 0 HB2 ALA A 42 5.919 -7.709 0.061 1.00 52.23 H new ATOM 0 HB3 ALA A 42 6.255 -6.029 -0.420 1.00 52.23 H new ATOM 630 N ASN A 43 8.953 -5.346 -1.496 1.00 2.02 N ATOM 631 CA ASN A 43 9.610 -4.461 -2.451 1.00 63.32 C ATOM 632 C ASN A 43 10.958 -5.030 -2.883 1.00 1.31 C ATOM 633 O ASN A 43 11.212 -5.219 -4.071 1.00 33.55 O ATOM 634 CB ASN A 43 9.802 -3.071 -1.841 1.00 22.53 C ATOM 635 CG ASN A 43 8.606 -2.167 -2.074 1.00 14.14 C ATOM 636 OD1 ASN A 43 7.545 -2.620 -2.502 1.00 20.53 O ATOM 637 ND2 ASN A 43 8.774 -0.880 -1.793 1.00 3.23 N ATOM 0 H ASN A 43 8.829 -4.946 -0.566 1.00 2.02 H new ATOM 0 HA ASN A 43 8.972 -4.380 -3.331 1.00 63.32 H new ATOM 0 HB2 ASN A 43 9.977 -3.168 -0.770 1.00 22.53 H new ATOM 0 HB3 ASN A 43 10.692 -2.609 -2.269 1.00 22.53 H new ATOM 0 HD21 ASN A 43 8.006 -0.223 -1.930 1.00 3.23 H new ATOM 0 HD22 ASN A 43 9.672 -0.548 -1.440 1.00 3.23 H new ATOM 644 N VAL A 44 11.819 -5.299 -1.907 1.00 35.01 N ATOM 645 CA VAL A 44 13.141 -5.848 -2.185 1.00 51.14 C ATOM 646 C VAL A 44 13.042 -7.143 -2.984 1.00 62.21 C ATOM 647 O VAL A 44 13.766 -7.340 -3.960 1.00 2.42 O ATOM 648 CB VAL A 44 13.921 -6.119 -0.884 1.00 31.45 C ATOM 649 CG1 VAL A 44 15.319 -6.633 -1.197 1.00 72.23 C ATOM 650 CG2 VAL A 44 13.985 -4.863 -0.031 1.00 42.41 C ATOM 0 H VAL A 44 11.625 -5.146 -0.917 1.00 35.01 H new ATOM 0 HA VAL A 44 13.676 -5.102 -2.773 1.00 51.14 H new ATOM 0 HB VAL A 44 13.395 -6.888 -0.319 1.00 31.45 H new ATOM 0 HG11 VAL A 44 15.855 -6.819 -0.266 1.00 72.23 H new ATOM 0 HG12 VAL A 44 15.247 -7.560 -1.766 1.00 72.23 H new ATOM 0 HG13 VAL A 44 15.858 -5.889 -1.783 1.00 72.23 H new ATOM 0 HG21 VAL A 44 14.539 -5.072 0.884 1.00 42.41 H new ATOM 0 HG22 VAL A 44 14.487 -4.071 -0.587 1.00 42.41 H new ATOM 0 HG23 VAL A 44 12.974 -4.543 0.222 1.00 42.41 H new ATOM 660 N SER A 45 12.141 -8.025 -2.564 1.00 44.33 N ATOM 661 CA SER A 45 11.948 -9.303 -3.238 1.00 41.02 C ATOM 662 C SER A 45 11.450 -9.094 -4.665 1.00 14.11 C ATOM 663 O SER A 45 11.670 -9.931 -5.541 1.00 61.53 O ATOM 664 CB SER A 45 10.955 -10.169 -2.461 1.00 61.21 C ATOM 665 OG SER A 45 11.306 -11.540 -2.537 1.00 3.42 O ATOM 0 H SER A 45 11.532 -7.877 -1.759 1.00 44.33 H new ATOM 0 HA SER A 45 12.910 -9.814 -3.278 1.00 41.02 H new ATOM 0 HB2 SER A 45 10.931 -9.854 -1.418 1.00 61.21 H new ATOM 0 HB3 SER A 45 9.951 -10.025 -2.861 1.00 61.21 H new ATOM 0 HG SER A 45 10.657 -12.072 -2.031 1.00 3.42 H new ATOM 671 N THR A 46 10.777 -7.970 -4.892 1.00 12.41 N ATOM 672 CA THR A 46 10.247 -7.650 -6.211 1.00 73.42 C ATOM 673 C THR A 46 11.202 -6.750 -6.985 1.00 13.35 C ATOM 674 O THR A 46 10.789 -6.013 -7.880 1.00 75.10 O ATOM 675 CB THR A 46 8.874 -6.959 -6.112 1.00 10.35 C ATOM 676 OG1 THR A 46 8.963 -5.814 -5.255 1.00 32.20 O ATOM 677 CG2 THR A 46 7.822 -7.917 -5.577 1.00 73.32 C ATOM 0 H THR A 46 10.586 -7.266 -4.179 1.00 12.41 H new ATOM 0 HA THR A 46 10.133 -8.595 -6.743 1.00 73.42 H new ATOM 0 HB THR A 46 8.579 -6.643 -7.112 1.00 10.35 H new ATOM 0 HG1 THR A 46 8.550 -6.020 -4.390 1.00 32.20 H new ATOM 0 HG21 THR A 46 6.861 -7.406 -5.516 1.00 73.32 H new ATOM 0 HG22 THR A 46 7.736 -8.773 -6.246 1.00 73.32 H new ATOM 0 HG23 THR A 46 8.114 -8.260 -4.584 1.00 73.32 H new ATOM 685 N GLY A 47 12.483 -6.815 -6.635 1.00 40.11 N ATOM 686 CA GLY A 47 13.478 -6.000 -7.307 1.00 5.12 C ATOM 687 C GLY A 47 13.203 -4.516 -7.169 1.00 45.25 C ATOM 688 O GLY A 47 13.277 -3.770 -8.145 1.00 11.44 O ATOM 0 H GLY A 47 12.849 -7.418 -5.898 1.00 40.11 H new ATOM 0 HA2 GLY A 47 14.463 -6.223 -6.897 1.00 5.12 H new ATOM 0 HA3 GLY A 47 13.506 -6.264 -8.364 1.00 5.12 H new ATOM 692 N ARG A 48 12.882 -4.086 -5.952 1.00 64.50 N ATOM 693 CA ARG A 48 12.590 -2.682 -5.690 1.00 53.30 C ATOM 694 C ARG A 48 13.190 -2.243 -4.357 1.00 63.23 C ATOM 695 O ARG A 48 12.933 -2.853 -3.320 1.00 71.20 O ATOM 696 CB ARG A 48 11.080 -2.445 -5.685 1.00 23.02 C ATOM 697 CG ARG A 48 10.496 -2.208 -7.068 1.00 51.10 C ATOM 698 CD ARG A 48 9.003 -2.498 -7.100 1.00 21.22 C ATOM 699 NE ARG A 48 8.300 -1.645 -8.055 1.00 55.04 N ATOM 700 CZ ARG A 48 7.041 -1.845 -8.429 1.00 10.14 C ATOM 701 NH1 ARG A 48 6.351 -2.862 -7.933 1.00 31.21 N ATOM 702 NH2 ARG A 48 6.471 -1.024 -9.302 1.00 33.53 N ATOM 0 H ARG A 48 12.818 -4.690 -5.133 1.00 64.50 H new ATOM 0 HA ARG A 48 13.040 -2.088 -6.485 1.00 53.30 H new ATOM 0 HB2 ARG A 48 10.587 -3.307 -5.235 1.00 23.02 H new ATOM 0 HB3 ARG A 48 10.858 -1.585 -5.054 1.00 23.02 H new ATOM 0 HG2 ARG A 48 10.673 -1.175 -7.367 1.00 51.10 H new ATOM 0 HG3 ARG A 48 11.006 -2.842 -7.793 1.00 51.10 H new ATOM 0 HD2 ARG A 48 8.842 -3.544 -7.362 1.00 21.22 H new ATOM 0 HD3 ARG A 48 8.584 -2.350 -6.105 1.00 21.22 H new ATOM 0 HE ARG A 48 8.803 -0.853 -8.456 1.00 55.04 H new ATOM 0 HH11 ARG A 48 6.786 -3.495 -7.262 1.00 31.21 H new ATOM 0 HH12 ARG A 48 5.385 -3.012 -8.223 1.00 31.21 H new ATOM 0 HH21 ARG A 48 6.999 -0.240 -9.685 1.00 33.53 H new ATOM 0 HH22 ARG A 48 5.504 -1.177 -9.590 1.00 33.53 H new ATOM 716 N GLU A 49 13.990 -1.181 -4.394 1.00 65.31 N ATOM 717 CA GLU A 49 14.626 -0.662 -3.190 1.00 41.11 C ATOM 718 C GLU A 49 13.595 -0.427 -2.088 1.00 2.55 C ATOM 719 O GLU A 49 12.395 -0.319 -2.340 1.00 70.35 O ATOM 720 CB GLU A 49 15.366 0.641 -3.498 1.00 63.35 C ATOM 721 CG GLU A 49 16.830 0.441 -3.848 1.00 3.13 C ATOM 722 CD GLU A 49 17.703 1.591 -3.386 1.00 1.40 C ATOM 723 OE1 GLU A 49 17.712 2.639 -4.066 1.00 42.21 O ATOM 724 OE2 GLU A 49 18.377 1.444 -2.345 1.00 12.04 O ATOM 0 H GLU A 49 14.212 -0.664 -5.245 1.00 65.31 H new ATOM 0 HA GLU A 49 15.343 -1.404 -2.840 1.00 41.11 H new ATOM 0 HB2 GLU A 49 14.868 1.144 -4.327 1.00 63.35 H new ATOM 0 HB3 GLU A 49 15.295 1.302 -2.635 1.00 63.35 H new ATOM 0 HG2 GLU A 49 17.185 -0.484 -3.394 1.00 3.13 H new ATOM 0 HG3 GLU A 49 16.929 0.325 -4.927 1.00 3.13 H new ATOM 731 N PRO A 50 14.074 -0.344 -0.839 1.00 54.10 N ATOM 732 CA PRO A 50 13.212 -0.121 0.326 1.00 14.13 C ATOM 733 C PRO A 50 12.628 1.288 0.353 1.00 73.21 C ATOM 734 O PRO A 50 11.661 1.555 1.065 1.00 70.01 O ATOM 735 CB PRO A 50 14.158 -0.329 1.512 1.00 32.52 C ATOM 736 CG PRO A 50 15.514 -0.028 0.974 1.00 4.21 C ATOM 737 CD PRO A 50 15.493 -0.462 -0.466 1.00 15.24 C ATOM 0 HA PRO A 50 12.349 -0.787 0.328 1.00 14.13 H new ATOM 0 HB2 PRO A 50 13.905 0.333 2.340 1.00 32.52 H new ATOM 0 HB3 PRO A 50 14.100 -1.350 1.890 1.00 32.52 H new ATOM 0 HG2 PRO A 50 15.740 1.035 1.058 1.00 4.21 H new ATOM 0 HG3 PRO A 50 16.283 -0.563 1.532 1.00 4.21 H new ATOM 0 HD2 PRO A 50 16.125 0.173 -1.086 1.00 15.24 H new ATOM 0 HD3 PRO A 50 15.855 -1.483 -0.583 1.00 15.24 H new ATOM 745 N GLY A 51 13.221 2.185 -0.429 1.00 74.34 N ATOM 746 CA GLY A 51 12.744 3.554 -0.480 1.00 41.12 C ATOM 747 C GLY A 51 11.646 3.749 -1.506 1.00 73.33 C ATOM 748 O GLY A 51 11.706 4.666 -2.324 1.00 2.43 O ATOM 0 H GLY A 51 14.023 1.988 -1.028 1.00 74.34 H new ATOM 0 HA2 GLY A 51 12.373 3.843 0.503 1.00 41.12 H new ATOM 0 HA3 GLY A 51 13.577 4.217 -0.714 1.00 41.12 H new ATOM 752 N ASP A 52 10.640 2.881 -1.465 1.00 42.54 N ATOM 753 CA ASP A 52 9.523 2.960 -2.398 1.00 25.22 C ATOM 754 C ASP A 52 8.191 2.841 -1.664 1.00 31.22 C ATOM 755 O ASP A 52 7.832 1.767 -1.181 1.00 42.23 O ATOM 756 CB ASP A 52 9.636 1.862 -3.457 1.00 12.31 C ATOM 757 CG ASP A 52 9.753 2.422 -4.861 1.00 52.23 C ATOM 758 OD1 ASP A 52 10.611 1.932 -5.625 1.00 22.11 O ATOM 759 OD2 ASP A 52 8.986 3.349 -5.196 1.00 33.11 O ATOM 0 H ASP A 52 10.576 2.115 -0.795 1.00 42.54 H new ATOM 0 HA ASP A 52 9.561 3.933 -2.889 1.00 25.22 H new ATOM 0 HB2 ASP A 52 10.507 1.242 -3.242 1.00 12.31 H new ATOM 0 HB3 ASP A 52 8.761 1.214 -3.399 1.00 12.31 H new ATOM 764 N ILE A 53 7.464 3.950 -1.584 1.00 3.31 N ATOM 765 CA ILE A 53 6.173 3.969 -0.908 1.00 23.42 C ATOM 766 C ILE A 53 5.058 4.378 -1.866 1.00 72.23 C ATOM 767 O ILE A 53 4.448 5.438 -1.732 1.00 71.03 O ATOM 768 CB ILE A 53 6.179 4.932 0.294 1.00 10.31 C ATOM 769 CG1 ILE A 53 6.969 6.199 -0.044 1.00 32.21 C ATOM 770 CG2 ILE A 53 6.766 4.246 1.518 1.00 41.35 C ATOM 771 CD1 ILE A 53 6.918 7.250 1.042 1.00 41.23 C ATOM 0 H ILE A 53 7.747 4.847 -1.979 1.00 3.31 H new ATOM 0 HA ILE A 53 5.990 2.956 -0.550 1.00 23.42 H new ATOM 0 HB ILE A 53 5.151 5.217 0.519 1.00 10.31 H new ATOM 0 HG12 ILE A 53 8.009 5.930 -0.230 1.00 32.21 H new ATOM 0 HG13 ILE A 53 6.579 6.624 -0.969 1.00 32.21 H new ATOM 0 HG21 ILE A 53 6.764 4.939 2.359 1.00 41.35 H new ATOM 0 HG22 ILE A 53 6.166 3.371 1.767 1.00 41.35 H new ATOM 0 HG23 ILE A 53 7.789 3.936 1.306 1.00 41.35 H new ATOM 0 HD11 ILE A 53 7.499 8.119 0.735 1.00 41.23 H new ATOM 0 HD12 ILE A 53 5.883 7.547 1.213 1.00 41.23 H new ATOM 0 HD13 ILE A 53 7.335 6.842 1.963 1.00 41.23 H new ATOM 783 N PRO A 54 4.782 3.515 -2.855 1.00 74.32 N ATOM 784 CA PRO A 54 3.738 3.763 -3.853 1.00 21.21 C ATOM 785 C PRO A 54 2.336 3.679 -3.258 1.00 23.12 C ATOM 786 O PRO A 54 2.091 2.906 -2.333 1.00 61.02 O ATOM 787 CB PRO A 54 3.952 2.645 -4.876 1.00 73.41 C ATOM 788 CG PRO A 54 4.615 1.552 -4.110 1.00 55.31 C ATOM 789 CD PRO A 54 5.469 2.231 -3.076 1.00 14.34 C ATOM 0 HA PRO A 54 3.808 4.765 -4.276 1.00 21.21 H new ATOM 0 HB2 PRO A 54 3.006 2.312 -5.302 1.00 73.41 H new ATOM 0 HB3 PRO A 54 4.574 2.981 -5.705 1.00 73.41 H new ATOM 0 HG2 PRO A 54 3.877 0.901 -3.641 1.00 55.31 H new ATOM 0 HG3 PRO A 54 5.220 0.927 -4.767 1.00 55.31 H new ATOM 0 HD2 PRO A 54 5.531 1.645 -2.159 1.00 14.34 H new ATOM 0 HD3 PRO A 54 6.489 2.377 -3.431 1.00 14.34 H new ATOM 797 N GLU A 55 1.421 4.479 -3.797 1.00 52.01 N ATOM 798 CA GLU A 55 0.044 4.494 -3.318 1.00 2.44 C ATOM 799 C GLU A 55 -0.939 4.475 -4.486 1.00 41.11 C ATOM 800 O GLU A 55 -1.585 5.480 -4.785 1.00 23.14 O ATOM 801 CB GLU A 55 -0.203 5.729 -2.448 1.00 20.23 C ATOM 802 CG GLU A 55 0.021 5.484 -0.966 1.00 53.15 C ATOM 803 CD GLU A 55 -1.074 4.641 -0.342 1.00 53.22 C ATOM 804 OE1 GLU A 55 -1.697 3.842 -1.073 1.00 54.51 O ATOM 805 OE2 GLU A 55 -1.309 4.779 0.877 1.00 20.03 O ATOM 0 H GLU A 55 1.608 5.124 -4.564 1.00 52.01 H new ATOM 0 HA GLU A 55 -0.115 3.598 -2.718 1.00 2.44 H new ATOM 0 HB2 GLU A 55 0.455 6.533 -2.778 1.00 20.23 H new ATOM 0 HB3 GLU A 55 -1.226 6.072 -2.600 1.00 20.23 H new ATOM 0 HG2 GLU A 55 0.981 4.988 -0.825 1.00 53.15 H new ATOM 0 HG3 GLU A 55 0.077 6.441 -0.448 1.00 53.15 H new ATOM 812 N THR A 56 -1.045 3.325 -5.143 1.00 64.43 N ATOM 813 CA THR A 56 -1.947 3.175 -6.279 1.00 71.14 C ATOM 814 C THR A 56 -2.525 1.765 -6.338 1.00 45.21 C ATOM 815 O THR A 56 -1.799 0.779 -6.208 1.00 52.52 O ATOM 816 CB THR A 56 -1.232 3.480 -7.607 1.00 5.43 C ATOM 817 OG1 THR A 56 -0.321 2.424 -7.929 1.00 51.33 O ATOM 818 CG2 THR A 56 -0.478 4.800 -7.525 1.00 51.02 C ATOM 0 H THR A 56 -0.518 2.484 -4.909 1.00 64.43 H new ATOM 0 HA THR A 56 -2.756 3.892 -6.138 1.00 71.14 H new ATOM 0 HB THR A 56 -1.987 3.558 -8.390 1.00 5.43 H new ATOM 0 HG1 THR A 56 0.128 2.626 -8.776 1.00 51.33 H new ATOM 0 HG21 THR A 56 0.019 4.994 -8.475 1.00 51.02 H new ATOM 0 HG22 THR A 56 -1.179 5.607 -7.311 1.00 51.02 H new ATOM 0 HG23 THR A 56 0.266 4.745 -6.730 1.00 51.02 H new ATOM 826 N LEU A 57 -3.835 1.676 -6.538 1.00 44.14 N ATOM 827 CA LEU A 57 -4.512 0.386 -6.616 1.00 44.25 C ATOM 828 C LEU A 57 -3.834 -0.523 -7.636 1.00 50.42 C ATOM 829 O LEU A 57 -3.819 -1.745 -7.480 1.00 13.44 O ATOM 830 CB LEU A 57 -5.982 0.581 -6.988 1.00 65.24 C ATOM 831 CG LEU A 57 -6.924 -0.570 -6.629 1.00 1.22 C ATOM 832 CD1 LEU A 57 -7.124 -0.644 -5.123 1.00 70.22 C ATOM 833 CD2 LEU A 57 -8.260 -0.407 -7.339 1.00 63.12 C ATOM 0 H LEU A 57 -4.450 2.482 -6.649 1.00 44.14 H new ATOM 0 HA LEU A 57 -4.452 -0.088 -5.636 1.00 44.25 H new ATOM 0 HB2 LEU A 57 -6.343 1.486 -6.499 1.00 65.24 H new ATOM 0 HB3 LEU A 57 -6.044 0.753 -8.062 1.00 65.24 H new ATOM 0 HG LEU A 57 -6.470 -1.504 -6.962 1.00 1.22 H new ATOM 0 HD11 LEU A 57 -7.797 -1.468 -4.885 1.00 70.22 H new ATOM 0 HD12 LEU A 57 -6.163 -0.808 -4.636 1.00 70.22 H new ATOM 0 HD13 LEU A 57 -7.556 0.291 -4.767 1.00 70.22 H new ATOM 0 HD21 LEU A 57 -8.917 -1.235 -7.072 1.00 63.12 H new ATOM 0 HD22 LEU A 57 -8.720 0.534 -7.037 1.00 63.12 H new ATOM 0 HD23 LEU A 57 -8.101 -0.403 -8.417 1.00 63.12 H new ATOM 845 N ASP A 58 -3.272 0.080 -8.677 1.00 2.31 N ATOM 846 CA ASP A 58 -2.588 -0.674 -9.722 1.00 52.44 C ATOM 847 C ASP A 58 -1.274 -1.250 -9.204 1.00 52.15 C ATOM 848 O ASP A 58 -0.874 -2.350 -9.585 1.00 64.50 O ATOM 849 CB ASP A 58 -2.325 0.217 -10.936 1.00 41.44 C ATOM 850 CG ASP A 58 -3.561 0.406 -11.794 1.00 13.13 C ATOM 851 OD1 ASP A 58 -4.678 0.395 -11.236 1.00 61.30 O ATOM 852 OD2 ASP A 58 -3.410 0.567 -13.023 1.00 72.40 O ATOM 0 H ASP A 58 -3.276 1.090 -8.820 1.00 2.31 H new ATOM 0 HA ASP A 58 -3.234 -1.500 -10.021 1.00 52.44 H new ATOM 0 HB2 ASP A 58 -1.968 1.190 -10.598 1.00 41.44 H new ATOM 0 HB3 ASP A 58 -1.531 -0.222 -11.540 1.00 41.44 H new ATOM 857 N GLN A 59 -0.607 -0.499 -8.334 1.00 52.23 N ATOM 858 CA GLN A 59 0.663 -0.936 -7.765 1.00 11.53 C ATOM 859 C GLN A 59 0.453 -2.071 -6.768 1.00 5.31 C ATOM 860 O GLN A 59 1.013 -3.156 -6.920 1.00 13.22 O ATOM 861 CB GLN A 59 1.369 0.236 -7.081 1.00 51.13 C ATOM 862 CG GLN A 59 2.404 -0.193 -6.054 1.00 14.14 C ATOM 863 CD GLN A 59 1.867 -0.169 -4.637 1.00 32.25 C ATOM 864 OE1 GLN A 59 1.998 -1.143 -3.894 1.00 4.05 O ATOM 865 NE2 GLN A 59 1.256 0.946 -4.254 1.00 13.22 N ATOM 0 H GLN A 59 -0.924 0.414 -8.008 1.00 52.23 H new ATOM 0 HA GLN A 59 1.289 -1.304 -8.578 1.00 11.53 H new ATOM 0 HB2 GLN A 59 1.855 0.850 -7.840 1.00 51.13 H new ATOM 0 HB3 GLN A 59 0.623 0.864 -6.593 1.00 51.13 H new ATOM 0 HG2 GLN A 59 2.749 -1.200 -6.290 1.00 14.14 H new ATOM 0 HG3 GLN A 59 3.271 0.465 -6.121 1.00 14.14 H new ATOM 0 HE21 GLN A 59 1.170 1.729 -4.902 1.00 13.22 H new ATOM 0 HE22 GLN A 59 0.873 1.020 -3.312 1.00 13.22 H new ATOM 874 N LEU A 60 -0.358 -1.812 -5.748 1.00 0.43 N ATOM 875 CA LEU A 60 -0.642 -2.811 -4.725 1.00 60.44 C ATOM 876 C LEU A 60 -1.128 -4.113 -5.355 1.00 15.30 C ATOM 877 O LEU A 60 -0.711 -5.201 -4.957 1.00 43.30 O ATOM 878 CB LEU A 60 -1.692 -2.284 -3.745 1.00 64.10 C ATOM 879 CG LEU A 60 -1.204 -1.248 -2.732 1.00 51.24 C ATOM 880 CD1 LEU A 60 -2.147 -0.056 -2.690 1.00 62.22 C ATOM 881 CD2 LEU A 60 -1.072 -1.874 -1.351 1.00 73.23 C ATOM 0 H LEU A 60 -0.830 -0.919 -5.608 1.00 0.43 H new ATOM 0 HA LEU A 60 0.283 -3.012 -4.184 1.00 60.44 H new ATOM 0 HB2 LEU A 60 -2.508 -1.845 -4.319 1.00 64.10 H new ATOM 0 HB3 LEU A 60 -2.107 -3.131 -3.198 1.00 64.10 H new ATOM 0 HG LEU A 60 -0.221 -0.897 -3.046 1.00 51.24 H new ATOM 0 HD11 LEU A 60 -1.783 0.670 -1.963 1.00 62.22 H new ATOM 0 HD12 LEU A 60 -2.192 0.408 -3.676 1.00 62.22 H new ATOM 0 HD13 LEU A 60 -3.143 -0.390 -2.401 1.00 62.22 H new ATOM 0 HD21 LEU A 60 -0.724 -1.122 -0.643 1.00 73.23 H new ATOM 0 HD22 LEU A 60 -2.042 -2.254 -1.029 1.00 73.23 H new ATOM 0 HD23 LEU A 60 -0.356 -2.695 -1.391 1.00 73.23 H new ATOM 893 N ARG A 61 -2.009 -3.993 -6.343 1.00 74.54 N ATOM 894 CA ARG A 61 -2.550 -5.160 -7.029 1.00 23.23 C ATOM 895 C ARG A 61 -1.444 -5.933 -7.742 1.00 72.30 C ATOM 896 O ARG A 61 -1.378 -7.161 -7.661 1.00 24.35 O ATOM 897 CB ARG A 61 -3.620 -4.735 -8.036 1.00 20.40 C ATOM 898 CG ARG A 61 -4.170 -5.886 -8.863 1.00 53.12 C ATOM 899 CD ARG A 61 -3.479 -5.981 -10.214 1.00 64.22 C ATOM 900 NE ARG A 61 -4.366 -5.596 -11.310 1.00 73.23 N ATOM 901 CZ ARG A 61 -5.333 -6.377 -11.781 1.00 4.21 C ATOM 902 NH1 ARG A 61 -5.538 -7.575 -11.254 1.00 35.41 N ATOM 903 NH2 ARG A 61 -6.098 -5.956 -12.780 1.00 3.01 N ATOM 0 H ARG A 61 -2.363 -3.100 -6.686 1.00 74.54 H new ATOM 0 HA ARG A 61 -3.002 -5.812 -6.282 1.00 23.23 H new ATOM 0 HB2 ARG A 61 -4.441 -4.258 -7.501 1.00 20.40 H new ATOM 0 HB3 ARG A 61 -3.199 -3.986 -8.706 1.00 20.40 H new ATOM 0 HG2 ARG A 61 -4.039 -6.822 -8.319 1.00 53.12 H new ATOM 0 HG3 ARG A 61 -5.242 -5.751 -9.010 1.00 53.12 H new ATOM 0 HD2 ARG A 61 -2.599 -5.338 -10.217 1.00 64.22 H new ATOM 0 HD3 ARG A 61 -3.129 -7.001 -10.372 1.00 64.22 H new ATOM 0 HE ARG A 61 -4.236 -4.679 -11.736 1.00 73.23 H new ATOM 0 HH11 ARG A 61 -4.953 -7.901 -10.484 1.00 35.41 H new ATOM 0 HH12 ARG A 61 -6.281 -8.172 -11.618 1.00 35.41 H new ATOM 0 HH21 ARG A 61 -5.944 -5.033 -13.186 1.00 3.01 H new ATOM 0 HH22 ARG A 61 -6.840 -6.555 -13.142 1.00 3.01 H new ATOM 917 N LEU A 62 -0.577 -5.207 -8.439 1.00 51.31 N ATOM 918 CA LEU A 62 0.527 -5.824 -9.167 1.00 23.11 C ATOM 919 C LEU A 62 1.516 -6.476 -8.207 1.00 50.14 C ATOM 920 O LEU A 62 2.001 -7.580 -8.453 1.00 35.01 O ATOM 921 CB LEU A 62 1.245 -4.780 -10.025 1.00 63.55 C ATOM 922 CG LEU A 62 1.023 -4.884 -11.534 1.00 31.30 C ATOM 923 CD1 LEU A 62 -0.062 -3.919 -11.982 1.00 5.23 C ATOM 924 CD2 LEU A 62 2.321 -4.618 -12.283 1.00 4.21 C ATOM 0 H LEU A 62 -0.617 -4.191 -8.516 1.00 51.31 H new ATOM 0 HA LEU A 62 0.115 -6.597 -9.815 1.00 23.11 H new ATOM 0 HB2 LEU A 62 0.927 -3.790 -9.699 1.00 63.55 H new ATOM 0 HB3 LEU A 62 2.315 -4.852 -9.830 1.00 63.55 H new ATOM 0 HG LEU A 62 0.695 -5.898 -11.765 1.00 31.30 H new ATOM 0 HD11 LEU A 62 -0.206 -4.008 -13.059 1.00 5.23 H new ATOM 0 HD12 LEU A 62 -0.995 -4.157 -11.471 1.00 5.23 H new ATOM 0 HD13 LEU A 62 0.235 -2.899 -11.738 1.00 5.23 H new ATOM 0 HD21 LEU A 62 2.145 -4.696 -13.356 1.00 4.21 H new ATOM 0 HD22 LEU A 62 2.679 -3.616 -12.046 1.00 4.21 H new ATOM 0 HD23 LEU A 62 3.070 -5.351 -11.984 1.00 4.21 H new ATOM 936 N VAL A 63 1.808 -5.787 -7.107 1.00 22.54 N ATOM 937 CA VAL A 63 2.736 -6.300 -6.108 1.00 74.12 C ATOM 938 C VAL A 63 2.301 -7.674 -5.608 1.00 1.12 C ATOM 939 O VAL A 63 3.116 -8.588 -5.486 1.00 15.23 O ATOM 940 CB VAL A 63 2.854 -5.343 -4.906 1.00 32.24 C ATOM 941 CG1 VAL A 63 3.797 -5.914 -3.859 1.00 54.31 C ATOM 942 CG2 VAL A 63 3.320 -3.970 -5.366 1.00 51.43 C ATOM 0 H VAL A 63 1.414 -4.872 -6.886 1.00 22.54 H new ATOM 0 HA VAL A 63 3.708 -6.383 -6.593 1.00 74.12 H new ATOM 0 HB VAL A 63 1.870 -5.234 -4.450 1.00 32.24 H new ATOM 0 HG11 VAL A 63 3.868 -5.224 -3.018 1.00 54.31 H new ATOM 0 HG12 VAL A 63 3.415 -6.874 -3.510 1.00 54.31 H new ATOM 0 HG13 VAL A 63 4.785 -6.054 -4.297 1.00 54.31 H new ATOM 0 HG21 VAL A 63 3.398 -3.305 -4.506 1.00 51.43 H new ATOM 0 HG22 VAL A 63 4.294 -4.059 -5.846 1.00 51.43 H new ATOM 0 HG23 VAL A 63 2.601 -3.561 -6.076 1.00 51.43 H new ATOM 952 N ILE A 64 1.011 -7.811 -5.320 1.00 22.10 N ATOM 953 CA ILE A 64 0.468 -9.073 -4.835 1.00 62.43 C ATOM 954 C ILE A 64 0.653 -10.184 -5.864 1.00 41.23 C ATOM 955 O ILE A 64 1.201 -11.243 -5.557 1.00 61.14 O ATOM 956 CB ILE A 64 -1.030 -8.948 -4.495 1.00 11.34 C ATOM 957 CG1 ILE A 64 -1.242 -7.886 -3.415 1.00 65.42 C ATOM 958 CG2 ILE A 64 -1.584 -10.291 -4.043 1.00 23.11 C ATOM 959 CD1 ILE A 64 -2.550 -7.137 -3.553 1.00 10.43 C ATOM 0 H ILE A 64 0.323 -7.064 -5.414 1.00 22.10 H new ATOM 0 HA ILE A 64 1.019 -9.325 -3.929 1.00 62.43 H new ATOM 0 HB ILE A 64 -1.568 -8.639 -5.392 1.00 11.34 H new ATOM 0 HG12 ILE A 64 -1.207 -8.363 -2.436 1.00 65.42 H new ATOM 0 HG13 ILE A 64 -0.419 -7.173 -3.451 1.00 65.42 H new ATOM 0 HG21 ILE A 64 -2.643 -10.187 -3.806 1.00 23.11 H new ATOM 0 HG22 ILE A 64 -1.461 -11.023 -4.841 1.00 23.11 H new ATOM 0 HG23 ILE A 64 -1.046 -10.627 -3.157 1.00 23.11 H new ATOM 0 HD11 ILE A 64 -2.633 -6.400 -2.754 1.00 10.43 H new ATOM 0 HD12 ILE A 64 -2.579 -6.631 -4.518 1.00 10.43 H new ATOM 0 HD13 ILE A 64 -3.380 -7.840 -3.486 1.00 10.43 H new ATOM 971 N CYS A 65 0.194 -9.933 -7.085 1.00 0.10 N ATOM 972 CA CYS A 65 0.311 -10.911 -8.161 1.00 63.14 C ATOM 973 C CYS A 65 1.767 -11.303 -8.385 1.00 44.12 C ATOM 974 O CYS A 65 2.062 -12.423 -8.802 1.00 51.51 O ATOM 975 CB CYS A 65 -0.283 -10.351 -9.454 1.00 63.22 C ATOM 976 SG CYS A 65 -1.407 -11.485 -10.303 1.00 53.34 S ATOM 0 H CYS A 65 -0.262 -9.061 -7.355 1.00 0.10 H new ATOM 0 HA CYS A 65 -0.245 -11.802 -7.870 1.00 63.14 H new ATOM 0 HB2 CYS A 65 -0.818 -9.429 -9.226 1.00 63.22 H new ATOM 0 HB3 CYS A 65 0.530 -10.088 -10.131 1.00 63.22 H new ATOM 0 HG CYS A 65 -1.859 -10.920 -11.383 1.00 53.34 H new ATOM 982 N ASP A 66 2.674 -10.373 -8.105 1.00 24.14 N ATOM 983 CA ASP A 66 4.101 -10.621 -8.277 1.00 2.12 C ATOM 984 C ASP A 66 4.654 -11.436 -7.111 1.00 2.54 C ATOM 985 O ASP A 66 5.108 -12.566 -7.291 1.00 63.44 O ATOM 986 CB ASP A 66 4.859 -9.298 -8.396 1.00 12.03 C ATOM 987 CG ASP A 66 4.402 -8.475 -9.584 1.00 0.33 C ATOM 988 OD1 ASP A 66 3.912 -9.070 -10.567 1.00 72.32 O ATOM 989 OD2 ASP A 66 4.533 -7.234 -9.531 1.00 32.23 O ATOM 0 H ASP A 66 2.447 -9.441 -7.758 1.00 24.14 H new ATOM 0 HA ASP A 66 4.238 -11.193 -9.195 1.00 2.12 H new ATOM 0 HB2 ASP A 66 4.721 -8.720 -7.482 1.00 12.03 H new ATOM 0 HB3 ASP A 66 5.926 -9.501 -8.487 1.00 12.03 H new ATOM 994 N LEU A 67 4.616 -10.853 -5.918 1.00 3.52 N ATOM 995 CA LEU A 67 5.116 -11.523 -4.723 1.00 43.50 C ATOM 996 C LEU A 67 4.500 -12.910 -4.580 1.00 70.53 C ATOM 997 O LEU A 67 5.168 -13.857 -4.166 1.00 2.21 O ATOM 998 CB LEU A 67 4.810 -10.686 -3.480 1.00 1.42 C ATOM 999 CG LEU A 67 5.798 -10.822 -2.319 1.00 24.14 C ATOM 1000 CD1 LEU A 67 7.144 -10.219 -2.692 1.00 24.02 C ATOM 1001 CD2 LEU A 67 5.243 -10.158 -1.067 1.00 75.32 C ATOM 0 H LEU A 67 4.244 -9.918 -5.753 1.00 3.52 H new ATOM 0 HA LEU A 67 6.196 -11.633 -4.822 1.00 43.50 H new ATOM 0 HB2 LEU A 67 4.768 -9.637 -3.774 1.00 1.42 H new ATOM 0 HB3 LEU A 67 3.817 -10.956 -3.120 1.00 1.42 H new ATOM 0 HG LEU A 67 5.942 -11.882 -2.111 1.00 24.14 H new ATOM 0 HD11 LEU A 67 7.834 -10.324 -1.855 1.00 24.02 H new ATOM 0 HD12 LEU A 67 7.547 -10.738 -3.562 1.00 24.02 H new ATOM 0 HD13 LEU A 67 7.017 -9.162 -2.927 1.00 24.02 H new ATOM 0 HD21 LEU A 67 5.958 -10.264 -0.251 1.00 75.32 H new ATOM 0 HD22 LEU A 67 5.070 -9.100 -1.263 1.00 75.32 H new ATOM 0 HD23 LEU A 67 4.303 -10.634 -0.789 1.00 75.32 H new ATOM 1013 N GLN A 68 3.221 -13.024 -4.927 1.00 3.13 N ATOM 1014 CA GLN A 68 2.515 -14.297 -4.839 1.00 12.40 C ATOM 1015 C GLN A 68 3.013 -15.270 -5.903 1.00 72.12 C ATOM 1016 O GLN A 68 3.341 -16.418 -5.603 1.00 44.44 O ATOM 1017 CB GLN A 68 1.009 -14.081 -4.993 1.00 53.13 C ATOM 1018 CG GLN A 68 0.214 -15.374 -5.072 1.00 35.42 C ATOM 1019 CD GLN A 68 -1.189 -15.232 -4.518 1.00 50.20 C ATOM 1020 OE1 GLN A 68 -2.171 -15.528 -5.200 1.00 43.41 O ATOM 1021 NE2 GLN A 68 -1.292 -14.777 -3.275 1.00 43.52 N ATOM 0 H GLN A 68 2.653 -12.250 -5.272 1.00 3.13 H new ATOM 0 HA GLN A 68 2.714 -14.727 -3.857 1.00 12.40 H new ATOM 0 HB2 GLN A 68 0.647 -13.492 -4.150 1.00 53.13 H new ATOM 0 HB3 GLN A 68 0.825 -13.495 -5.894 1.00 53.13 H new ATOM 0 HG2 GLN A 68 0.159 -15.699 -6.111 1.00 35.42 H new ATOM 0 HG3 GLN A 68 0.740 -16.154 -4.522 1.00 35.42 H new ATOM 0 HE21 GLN A 68 -0.452 -14.544 -2.746 1.00 43.52 H new ATOM 0 HE22 GLN A 68 -2.211 -14.661 -2.849 1.00 43.52 H new ATOM 1030 N GLU A 69 3.066 -14.803 -7.146 1.00 51.12 N ATOM 1031 CA GLU A 69 3.522 -15.634 -8.254 1.00 1.40 C ATOM 1032 C GLU A 69 4.877 -16.263 -7.941 1.00 50.12 C ATOM 1033 O GLU A 69 5.127 -17.421 -8.273 1.00 71.34 O ATOM 1034 CB GLU A 69 3.617 -14.805 -9.537 1.00 23.20 C ATOM 1035 CG GLU A 69 4.245 -15.554 -10.701 1.00 12.53 C ATOM 1036 CD GLU A 69 4.138 -14.794 -12.009 1.00 22.20 C ATOM 1037 OE1 GLU A 69 5.102 -14.840 -12.801 1.00 73.41 O ATOM 1038 OE2 GLU A 69 3.091 -14.154 -12.239 1.00 22.24 O ATOM 0 H GLU A 69 2.799 -13.855 -7.411 1.00 51.12 H new ATOM 0 HA GLU A 69 2.795 -16.433 -8.399 1.00 1.40 H new ATOM 0 HB2 GLU A 69 2.617 -14.478 -9.823 1.00 23.20 H new ATOM 0 HB3 GLU A 69 4.201 -13.907 -9.337 1.00 23.20 H new ATOM 0 HG2 GLU A 69 5.295 -15.745 -10.481 1.00 12.53 H new ATOM 0 HG3 GLU A 69 3.760 -16.524 -10.808 1.00 12.53 H new ATOM 1045 N ARG A 70 5.747 -15.490 -7.300 1.00 12.50 N ATOM 1046 CA ARG A 70 7.077 -15.969 -6.944 1.00 54.53 C ATOM 1047 C ARG A 70 7.000 -17.004 -5.825 1.00 60.50 C ATOM 1048 O ARG A 70 7.571 -18.091 -5.931 1.00 43.13 O ATOM 1049 CB ARG A 70 7.965 -14.801 -6.511 1.00 40.43 C ATOM 1050 CG ARG A 70 8.357 -13.878 -7.652 1.00 15.14 C ATOM 1051 CD ARG A 70 9.632 -14.347 -8.335 1.00 13.22 C ATOM 1052 NE ARG A 70 9.412 -14.675 -9.741 1.00 53.42 N ATOM 1053 CZ ARG A 70 10.311 -15.292 -10.500 1.00 72.41 C ATOM 1054 NH1 ARG A 70 11.483 -15.646 -9.992 1.00 61.11 N ATOM 1055 NH2 ARG A 70 10.036 -15.557 -11.771 1.00 20.01 N ATOM 0 H ARG A 70 5.555 -14.529 -7.016 1.00 12.50 H new ATOM 0 HA ARG A 70 7.513 -16.441 -7.824 1.00 54.53 H new ATOM 0 HB2 ARG A 70 7.443 -14.222 -5.749 1.00 40.43 H new ATOM 0 HB3 ARG A 70 8.869 -15.196 -6.047 1.00 40.43 H new ATOM 0 HG2 ARG A 70 7.548 -13.834 -8.381 1.00 15.14 H new ATOM 0 HG3 ARG A 70 8.498 -12.866 -7.271 1.00 15.14 H new ATOM 0 HD2 ARG A 70 10.391 -13.568 -8.259 1.00 13.22 H new ATOM 0 HD3 ARG A 70 10.020 -15.223 -7.815 1.00 13.22 H new ATOM 0 HE ARG A 70 8.520 -14.416 -10.163 1.00 53.42 H new ATOM 0 HH11 ARG A 70 11.697 -15.445 -9.015 1.00 61.11 H new ATOM 0 HH12 ARG A 70 12.171 -16.120 -10.578 1.00 61.11 H new ATOM 0 HH21 ARG A 70 9.135 -15.287 -12.165 1.00 20.01 H new ATOM 0 HH22 ARG A 70 10.726 -16.031 -12.354 1.00 20.01 H new ATOM 1069 N ARG A 71 6.292 -16.660 -4.754 1.00 21.53 N ATOM 1070 CA ARG A 71 6.141 -17.558 -3.617 1.00 75.24 C ATOM 1071 C ARG A 71 5.575 -18.906 -4.058 1.00 14.04 C ATOM 1072 O ARG A 71 5.916 -19.946 -3.497 1.00 72.32 O ATOM 1073 CB ARG A 71 5.228 -16.932 -2.562 1.00 60.21 C ATOM 1074 CG ARG A 71 4.854 -17.883 -1.437 1.00 31.32 C ATOM 1075 CD ARG A 71 3.953 -17.210 -0.414 1.00 10.13 C ATOM 1076 NE ARG A 71 2.578 -17.088 -0.891 1.00 1.30 N ATOM 1077 CZ ARG A 71 1.750 -18.119 -1.016 1.00 52.12 C ATOM 1078 NH1 ARG A 71 2.155 -19.341 -0.701 1.00 55.35 N ATOM 1079 NH2 ARG A 71 0.513 -17.928 -1.457 1.00 51.34 N ATOM 0 H ARG A 71 5.814 -15.765 -4.651 1.00 21.53 H new ATOM 0 HA ARG A 71 7.128 -17.721 -3.184 1.00 75.24 H new ATOM 0 HB2 ARG A 71 5.723 -16.058 -2.138 1.00 60.21 H new ATOM 0 HB3 ARG A 71 4.317 -16.579 -3.046 1.00 60.21 H new ATOM 0 HG2 ARG A 71 4.348 -18.756 -1.850 1.00 31.32 H new ATOM 0 HG3 ARG A 71 5.759 -18.241 -0.946 1.00 31.32 H new ATOM 0 HD2 ARG A 71 3.965 -17.784 0.513 1.00 10.13 H new ATOM 0 HD3 ARG A 71 4.345 -16.220 -0.181 1.00 10.13 H new ATOM 0 HE ARG A 71 2.235 -16.161 -1.142 1.00 1.30 H new ATOM 0 HH11 ARG A 71 3.105 -19.492 -0.361 1.00 55.35 H new ATOM 0 HH12 ARG A 71 1.517 -20.131 -0.798 1.00 55.35 H new ATOM 0 HH21 ARG A 71 0.198 -16.989 -1.700 1.00 51.34 H new ATOM 0 HH22 ARG A 71 -0.122 -18.720 -1.553 1.00 51.34 H new ATOM 1093 N GLU A 72 4.711 -18.876 -5.068 1.00 71.22 N ATOM 1094 CA GLU A 72 4.099 -20.095 -5.584 1.00 73.53 C ATOM 1095 C GLU A 72 5.126 -20.956 -6.312 1.00 11.55 C ATOM 1096 O GLU A 72 5.311 -22.130 -5.991 1.00 40.41 O ATOM 1097 CB GLU A 72 2.944 -19.753 -6.527 1.00 2.12 C ATOM 1098 CG GLU A 72 2.258 -20.973 -7.119 1.00 43.31 C ATOM 1099 CD GLU A 72 0.858 -21.176 -6.575 1.00 42.45 C ATOM 1100 OE1 GLU A 72 0.730 -21.683 -5.440 1.00 63.12 O ATOM 1101 OE2 GLU A 72 -0.111 -20.827 -7.282 1.00 42.23 O ATOM 0 H GLU A 72 4.419 -18.022 -5.544 1.00 71.22 H new ATOM 0 HA GLU A 72 3.712 -20.662 -4.737 1.00 73.53 H new ATOM 0 HB2 GLU A 72 2.207 -19.160 -5.985 1.00 2.12 H new ATOM 0 HB3 GLU A 72 3.321 -19.130 -7.338 1.00 2.12 H new ATOM 0 HG2 GLU A 72 2.211 -20.868 -8.203 1.00 43.31 H new ATOM 0 HG3 GLU A 72 2.857 -21.859 -6.910 1.00 43.31 H new ATOM 1108 N LYS A 73 5.795 -20.363 -7.296 1.00 10.22 N ATOM 1109 CA LYS A 73 6.806 -21.072 -8.071 1.00 22.25 C ATOM 1110 C LYS A 73 7.835 -21.725 -7.155 1.00 55.15 C ATOM 1111 O LYS A 73 8.339 -22.810 -7.445 1.00 72.14 O ATOM 1112 CB LYS A 73 7.504 -20.112 -9.037 1.00 1.43 C ATOM 1113 CG LYS A 73 7.069 -20.280 -10.482 1.00 13.34 C ATOM 1114 CD LYS A 73 8.030 -19.592 -11.438 1.00 0.41 C ATOM 1115 CE LYS A 73 8.984 -20.587 -12.080 1.00 0.13 C ATOM 1116 NZ LYS A 73 8.350 -21.308 -13.217 1.00 33.32 N ATOM 0 H LYS A 73 5.655 -19.392 -7.575 1.00 10.22 H new ATOM 0 HA LYS A 73 6.307 -21.854 -8.643 1.00 22.25 H new ATOM 0 HB2 LYS A 73 7.306 -19.087 -8.724 1.00 1.43 H new ATOM 0 HB3 LYS A 73 8.581 -20.263 -8.971 1.00 1.43 H new ATOM 0 HG2 LYS A 73 7.011 -21.341 -10.724 1.00 13.34 H new ATOM 0 HG3 LYS A 73 6.068 -19.868 -10.612 1.00 13.34 H new ATOM 0 HD2 LYS A 73 7.465 -19.075 -12.214 1.00 0.41 H new ATOM 0 HD3 LYS A 73 8.600 -18.834 -10.900 1.00 0.41 H new ATOM 0 HE2 LYS A 73 9.872 -20.063 -12.432 1.00 0.13 H new ATOM 0 HE3 LYS A 73 9.315 -21.308 -11.332 1.00 0.13 H new ATOM 0 HZ1 LYS A 73 9.032 -21.977 -13.628 1.00 33.32 H new ATOM 0 HZ2 LYS A 73 7.517 -21.829 -12.876 1.00 33.32 H new ATOM 0 HZ3 LYS A 73 8.057 -20.623 -13.943 1.00 33.32 H new ATOM 1130 N PHE A 74 8.142 -21.059 -6.047 1.00 45.41 N ATOM 1131 CA PHE A 74 9.112 -21.575 -5.087 1.00 63.44 C ATOM 1132 C PHE A 74 8.476 -22.634 -4.190 1.00 40.40 C ATOM 1133 O PHE A 74 9.153 -23.542 -3.708 1.00 3.42 O ATOM 1134 CB PHE A 74 9.672 -20.437 -4.233 1.00 2.24 C ATOM 1135 CG PHE A 74 10.634 -20.897 -3.177 1.00 53.21 C ATOM 1136 CD1 PHE A 74 10.212 -21.089 -1.871 1.00 23.55 C ATOM 1137 CD2 PHE A 74 11.963 -21.138 -3.489 1.00 75.24 C ATOM 1138 CE1 PHE A 74 11.095 -21.514 -0.896 1.00 31.35 C ATOM 1139 CE2 PHE A 74 12.851 -21.564 -2.518 1.00 24.32 C ATOM 1140 CZ PHE A 74 12.416 -21.750 -1.220 1.00 35.44 C ATOM 0 H PHE A 74 7.733 -20.160 -5.791 1.00 45.41 H new ATOM 0 HA PHE A 74 9.928 -22.036 -5.644 1.00 63.44 H new ATOM 0 HB2 PHE A 74 10.174 -19.719 -4.882 1.00 2.24 H new ATOM 0 HB3 PHE A 74 8.845 -19.911 -3.756 1.00 2.24 H new ATOM 0 HD1 PHE A 74 9.180 -20.904 -1.612 1.00 23.55 H new ATOM 0 HD2 PHE A 74 12.309 -20.991 -4.502 1.00 75.24 H new ATOM 0 HE1 PHE A 74 10.752 -21.661 0.117 1.00 31.35 H new ATOM 0 HE2 PHE A 74 13.883 -21.751 -2.774 1.00 24.32 H new ATOM 0 HZ PHE A 74 13.109 -22.080 -0.460 1.00 35.44 H new ATOM 1150 N GLY A 75 7.171 -22.510 -3.970 1.00 5.34 N ATOM 1151 CA GLY A 75 6.466 -23.461 -3.130 1.00 31.55 C ATOM 1152 C GLY A 75 5.552 -22.785 -2.130 1.00 51.01 C ATOM 1153 O GLY A 75 4.463 -22.331 -2.481 1.00 53.43 O ATOM 0 H GLY A 75 6.589 -21.768 -4.358 1.00 5.34 H new ATOM 0 HA2 GLY A 75 5.879 -24.131 -3.759 1.00 31.55 H new ATOM 0 HA3 GLY A 75 7.190 -24.077 -2.597 1.00 31.55 H new ATOM 1157 N SER A 76 5.994 -22.719 -0.877 1.00 23.14 N ATOM 1158 CA SER A 76 5.204 -22.097 0.180 1.00 32.23 C ATOM 1159 C SER A 76 6.100 -21.326 1.144 1.00 51.02 C ATOM 1160 O SER A 76 7.169 -21.800 1.530 1.00 44.33 O ATOM 1161 CB SER A 76 4.409 -23.159 0.942 1.00 2.13 C ATOM 1162 OG SER A 76 3.854 -24.114 0.055 1.00 32.43 O ATOM 0 H SER A 76 6.894 -23.088 -0.570 1.00 23.14 H new ATOM 0 HA SER A 76 4.509 -21.396 -0.282 1.00 32.23 H new ATOM 0 HB2 SER A 76 5.059 -23.659 1.660 1.00 2.13 H new ATOM 0 HB3 SER A 76 3.612 -22.682 1.513 1.00 2.13 H new ATOM 0 HG SER A 76 3.352 -24.783 0.566 1.00 32.43 H new ATOM 1168 N SER A 77 5.656 -20.135 1.531 1.00 63.42 N ATOM 1169 CA SER A 77 6.417 -19.295 2.448 1.00 33.23 C ATOM 1170 C SER A 77 5.485 -18.474 3.335 1.00 35.44 C ATOM 1171 O SER A 77 4.762 -17.602 2.855 1.00 4.02 O ATOM 1172 CB SER A 77 7.348 -18.365 1.667 1.00 2.32 C ATOM 1173 OG SER A 77 7.746 -17.260 2.460 1.00 1.13 O ATOM 0 H SER A 77 4.772 -19.729 1.223 1.00 63.42 H new ATOM 0 HA SER A 77 7.016 -19.945 3.086 1.00 33.23 H new ATOM 0 HB2 SER A 77 8.229 -18.918 1.339 1.00 2.32 H new ATOM 0 HB3 SER A 77 6.843 -18.009 0.769 1.00 2.32 H new ATOM 0 HG SER A 77 8.721 -17.164 2.422 1.00 1.13 H new ATOM 1179 N LYS A 78 5.510 -18.760 4.631 1.00 72.35 N ATOM 1180 CA LYS A 78 4.670 -18.049 5.588 1.00 21.40 C ATOM 1181 C LYS A 78 4.991 -16.559 5.591 1.00 44.00 C ATOM 1182 O LYS A 78 4.089 -15.721 5.554 1.00 13.23 O ATOM 1183 CB LYS A 78 4.860 -18.626 6.993 1.00 63.41 C ATOM 1184 CG LYS A 78 3.708 -19.504 7.451 1.00 51.22 C ATOM 1185 CD LYS A 78 3.419 -19.317 8.931 1.00 42.21 C ATOM 1186 CE LYS A 78 2.183 -20.093 9.360 1.00 15.02 C ATOM 1187 NZ LYS A 78 1.075 -19.189 9.773 1.00 52.32 N ATOM 0 H LYS A 78 6.103 -19.480 5.044 1.00 72.35 H new ATOM 0 HA LYS A 78 3.630 -18.178 5.287 1.00 21.40 H new ATOM 0 HB2 LYS A 78 5.781 -19.208 7.016 1.00 63.41 H new ATOM 0 HB3 LYS A 78 4.984 -17.806 7.700 1.00 63.41 H new ATOM 0 HG2 LYS A 78 2.816 -19.266 6.872 1.00 51.22 H new ATOM 0 HG3 LYS A 78 3.946 -20.550 7.255 1.00 51.22 H new ATOM 0 HD2 LYS A 78 4.278 -19.647 9.515 1.00 42.21 H new ATOM 0 HD3 LYS A 78 3.277 -18.258 9.144 1.00 42.21 H new ATOM 0 HE2 LYS A 78 1.848 -20.725 8.538 1.00 15.02 H new ATOM 0 HE3 LYS A 78 2.439 -20.755 10.187 1.00 15.02 H new ATOM 0 HZ1 LYS A 78 0.252 -19.757 10.058 1.00 52.32 H new ATOM 0 HZ2 LYS A 78 1.385 -18.603 10.574 1.00 52.32 H new ATOM 0 HZ3 LYS A 78 0.813 -18.575 8.976 1.00 52.32 H new ATOM 1201 N GLU A 79 6.279 -16.235 5.635 1.00 2.11 N ATOM 1202 CA GLU A 79 6.717 -14.844 5.643 1.00 31.25 C ATOM 1203 C GLU A 79 6.165 -14.093 4.433 1.00 75.44 C ATOM 1204 O GLU A 79 5.459 -13.096 4.580 1.00 24.45 O ATOM 1205 CB GLU A 79 8.245 -14.767 5.650 1.00 32.42 C ATOM 1206 CG GLU A 79 8.833 -14.462 7.017 1.00 0.21 C ATOM 1207 CD GLU A 79 10.282 -14.891 7.138 1.00 1.31 C ATOM 1208 OE1 GLU A 79 11.113 -14.405 6.342 1.00 30.31 O ATOM 1209 OE2 GLU A 79 10.586 -15.711 8.029 1.00 33.30 O ATOM 0 H GLU A 79 7.037 -16.916 5.666 1.00 2.11 H new ATOM 0 HA GLU A 79 6.332 -14.374 6.548 1.00 31.25 H new ATOM 0 HB2 GLU A 79 8.650 -15.714 5.293 1.00 32.42 H new ATOM 0 HB3 GLU A 79 8.565 -13.998 4.947 1.00 32.42 H new ATOM 0 HG2 GLU A 79 8.758 -13.392 7.210 1.00 0.21 H new ATOM 0 HG3 GLU A 79 8.244 -14.966 7.783 1.00 0.21 H new ATOM 1216 N ILE A 80 6.493 -14.580 3.242 1.00 52.50 N ATOM 1217 CA ILE A 80 6.031 -13.956 2.008 1.00 52.15 C ATOM 1218 C ILE A 80 4.509 -13.854 1.981 1.00 42.51 C ATOM 1219 O ILE A 80 3.953 -12.811 1.635 1.00 1.43 O ATOM 1220 CB ILE A 80 6.502 -14.740 0.770 1.00 13.22 C ATOM 1221 CG1 ILE A 80 8.029 -14.853 0.761 1.00 73.24 C ATOM 1222 CG2 ILE A 80 6.009 -14.067 -0.503 1.00 63.32 C ATOM 1223 CD1 ILE A 80 8.553 -15.875 -0.222 1.00 0.04 C ATOM 0 H ILE A 80 7.077 -15.405 3.105 1.00 52.50 H new ATOM 0 HA ILE A 80 6.462 -12.955 1.980 1.00 52.15 H new ATOM 0 HB ILE A 80 6.082 -15.745 0.813 1.00 13.22 H new ATOM 0 HG12 ILE A 80 8.456 -13.879 0.522 1.00 73.24 H new ATOM 0 HG13 ILE A 80 8.372 -15.115 1.762 1.00 73.24 H new ATOM 0 HG21 ILE A 80 6.350 -14.633 -1.370 1.00 63.32 H new ATOM 0 HG22 ILE A 80 4.920 -14.033 -0.498 1.00 63.32 H new ATOM 0 HG23 ILE A 80 6.404 -13.052 -0.554 1.00 63.32 H new ATOM 0 HD11 ILE A 80 9.642 -15.901 -0.174 1.00 0.04 H new ATOM 0 HD12 ILE A 80 8.155 -16.858 0.029 1.00 0.04 H new ATOM 0 HD13 ILE A 80 8.241 -15.604 -1.230 1.00 0.04 H new ATOM 1235 N ASP A 81 3.842 -14.941 2.351 1.00 54.54 N ATOM 1236 CA ASP A 81 2.384 -14.972 2.373 1.00 54.34 C ATOM 1237 C ASP A 81 1.830 -13.854 3.251 1.00 62.44 C ATOM 1238 O ASP A 81 0.773 -13.292 2.962 1.00 11.41 O ATOM 1239 CB ASP A 81 1.889 -16.328 2.879 1.00 52.20 C ATOM 1240 CG ASP A 81 0.387 -16.361 3.075 1.00 44.30 C ATOM 1241 OD1 ASP A 81 -0.320 -16.840 2.164 1.00 1.14 O ATOM 1242 OD2 ASP A 81 -0.083 -15.907 4.138 1.00 53.54 O ATOM 0 H ASP A 81 4.287 -15.812 2.640 1.00 54.54 H new ATOM 0 HA ASP A 81 2.026 -14.821 1.355 1.00 54.34 H new ATOM 0 HB2 ASP A 81 2.177 -17.104 2.170 1.00 52.20 H new ATOM 0 HB3 ASP A 81 2.381 -16.561 3.823 1.00 52.20 H new ATOM 1247 N MET A 82 2.548 -13.540 4.323 1.00 45.32 N ATOM 1248 CA MET A 82 2.127 -12.488 5.243 1.00 72.25 C ATOM 1249 C MET A 82 2.234 -11.116 4.585 1.00 61.13 C ATOM 1250 O MET A 82 1.320 -10.297 4.685 1.00 70.15 O ATOM 1251 CB MET A 82 2.975 -12.525 6.516 1.00 21.24 C ATOM 1252 CG MET A 82 2.808 -13.803 7.322 1.00 23.23 C ATOM 1253 SD MET A 82 2.239 -13.492 9.004 1.00 13.13 S ATOM 1254 CE MET A 82 0.741 -14.473 9.041 1.00 63.13 C ATOM 0 H MET A 82 3.423 -13.998 4.577 1.00 45.32 H new ATOM 0 HA MET A 82 1.084 -12.665 5.505 1.00 72.25 H new ATOM 0 HB2 MET A 82 4.025 -12.410 6.247 1.00 21.24 H new ATOM 0 HB3 MET A 82 2.712 -11.673 7.143 1.00 21.24 H new ATOM 0 HG2 MET A 82 2.097 -14.457 6.817 1.00 23.23 H new ATOM 0 HG3 MET A 82 3.760 -14.333 7.356 1.00 23.23 H new ATOM 0 HE1 MET A 82 0.272 -14.384 10.021 1.00 63.13 H new ATOM 0 HE2 MET A 82 0.053 -14.115 8.275 1.00 63.13 H new ATOM 0 HE3 MET A 82 0.986 -15.518 8.850 1.00 63.13 H new ATOM 1264 N ALA A 83 3.354 -10.872 3.915 1.00 22.15 N ATOM 1265 CA ALA A 83 3.578 -9.599 3.239 1.00 70.14 C ATOM 1266 C ALA A 83 2.515 -9.347 2.176 1.00 51.22 C ATOM 1267 O ALA A 83 2.091 -8.210 1.966 1.00 15.24 O ATOM 1268 CB ALA A 83 4.967 -9.569 2.618 1.00 63.33 C ATOM 0 H ALA A 83 4.121 -11.538 3.825 1.00 22.15 H new ATOM 0 HA ALA A 83 3.507 -8.804 3.981 1.00 70.14 H new ATOM 0 HB1 ALA A 83 5.121 -8.613 2.117 1.00 63.33 H new ATOM 0 HB2 ALA A 83 5.717 -9.694 3.399 1.00 63.33 H new ATOM 0 HB3 ALA A 83 5.059 -10.378 1.893 1.00 63.33 H new ATOM 1274 N ILE A 84 2.089 -10.414 1.508 1.00 45.52 N ATOM 1275 CA ILE A 84 1.074 -10.306 0.467 1.00 31.12 C ATOM 1276 C ILE A 84 -0.273 -9.895 1.050 1.00 54.54 C ATOM 1277 O ILE A 84 -0.837 -8.868 0.674 1.00 52.53 O ATOM 1278 CB ILE A 84 0.907 -11.635 -0.295 1.00 50.14 C ATOM 1279 CG1 ILE A 84 2.234 -12.055 -0.930 1.00 2.01 C ATOM 1280 CG2 ILE A 84 -0.176 -11.505 -1.356 1.00 41.14 C ATOM 1281 CD1 ILE A 84 2.296 -13.524 -1.282 1.00 15.53 C ATOM 0 H ILE A 84 2.430 -11.362 1.669 1.00 45.52 H new ATOM 0 HA ILE A 84 1.415 -9.538 -0.227 1.00 31.12 H new ATOM 0 HB ILE A 84 0.604 -12.407 0.413 1.00 50.14 H new ATOM 0 HG12 ILE A 84 2.398 -11.466 -1.832 1.00 2.01 H new ATOM 0 HG13 ILE A 84 3.047 -11.819 -0.243 1.00 2.01 H new ATOM 0 HG21 ILE A 84 -0.282 -12.452 -1.886 1.00 41.14 H new ATOM 0 HG22 ILE A 84 -1.122 -11.247 -0.880 1.00 41.14 H new ATOM 0 HG23 ILE A 84 0.100 -10.723 -2.063 1.00 41.14 H new ATOM 0 HD11 ILE A 84 3.264 -13.751 -1.728 1.00 15.53 H new ATOM 0 HD12 ILE A 84 2.163 -14.120 -0.379 1.00 15.53 H new ATOM 0 HD13 ILE A 84 1.505 -13.761 -1.993 1.00 15.53 H new ATOM 1293 N VAL A 85 -0.782 -10.703 1.975 1.00 64.25 N ATOM 1294 CA VAL A 85 -2.062 -10.422 2.614 1.00 51.31 C ATOM 1295 C VAL A 85 -2.068 -9.034 3.245 1.00 23.34 C ATOM 1296 O VAL A 85 -3.120 -8.408 3.385 1.00 11.43 O ATOM 1297 CB VAL A 85 -2.390 -11.467 3.698 1.00 32.54 C ATOM 1298 CG1 VAL A 85 -1.342 -11.440 4.800 1.00 62.02 C ATOM 1299 CG2 VAL A 85 -3.780 -11.227 4.266 1.00 3.32 C ATOM 0 H VAL A 85 -0.328 -11.557 2.298 1.00 64.25 H new ATOM 0 HA VAL A 85 -2.822 -10.467 1.834 1.00 51.31 H new ATOM 0 HB VAL A 85 -2.376 -12.456 3.241 1.00 32.54 H new ATOM 0 HG11 VAL A 85 -1.590 -12.184 5.556 1.00 62.02 H new ATOM 0 HG12 VAL A 85 -0.363 -11.665 4.377 1.00 62.02 H new ATOM 0 HG13 VAL A 85 -1.321 -10.451 5.258 1.00 62.02 H new ATOM 0 HG21 VAL A 85 -3.995 -11.974 5.030 1.00 3.32 H new ATOM 0 HG22 VAL A 85 -3.825 -10.232 4.709 1.00 3.32 H new ATOM 0 HG23 VAL A 85 -4.518 -11.303 3.467 1.00 3.32 H new ATOM 1309 N THR A 86 -0.887 -8.556 3.623 1.00 41.04 N ATOM 1310 CA THR A 86 -0.755 -7.242 4.239 1.00 63.03 C ATOM 1311 C THR A 86 -1.017 -6.132 3.228 1.00 12.25 C ATOM 1312 O THR A 86 -1.813 -5.227 3.476 1.00 4.53 O ATOM 1313 CB THR A 86 0.644 -7.045 4.849 1.00 55.43 C ATOM 1314 OG1 THR A 86 0.879 -8.026 5.867 1.00 64.31 O ATOM 1315 CG2 THR A 86 0.786 -5.651 5.441 1.00 51.31 C ATOM 0 H THR A 86 -0.007 -9.060 3.513 1.00 41.04 H new ATOM 0 HA THR A 86 -1.500 -7.190 5.033 1.00 63.03 H new ATOM 0 HB THR A 86 1.381 -7.162 4.054 1.00 55.43 H new ATOM 0 HG1 THR A 86 1.110 -8.882 5.449 1.00 64.31 H new ATOM 0 HG21 THR A 86 1.783 -5.536 5.866 1.00 51.31 H new ATOM 0 HG22 THR A 86 0.637 -4.907 4.659 1.00 51.31 H new ATOM 0 HG23 THR A 86 0.040 -5.510 6.223 1.00 51.31 H new ATOM 1323 N LEU A 87 -0.342 -6.209 2.085 1.00 4.21 N ATOM 1324 CA LEU A 87 -0.503 -5.209 1.035 1.00 32.45 C ATOM 1325 C LEU A 87 -1.923 -5.229 0.476 1.00 13.51 C ATOM 1326 O LEU A 87 -2.406 -4.229 -0.055 1.00 0.42 O ATOM 1327 CB LEU A 87 0.503 -5.459 -0.091 1.00 2.12 C ATOM 1328 CG LEU A 87 1.857 -4.765 0.053 1.00 13.51 C ATOM 1329 CD1 LEU A 87 2.933 -5.531 -0.702 1.00 41.50 C ATOM 1330 CD2 LEU A 87 1.777 -3.328 -0.441 1.00 24.54 C ATOM 0 H LEU A 87 0.320 -6.952 1.863 1.00 4.21 H new ATOM 0 HA LEU A 87 -0.318 -4.227 1.470 1.00 32.45 H new ATOM 0 HB2 LEU A 87 0.674 -6.533 -0.167 1.00 2.12 H new ATOM 0 HB3 LEU A 87 0.052 -5.141 -1.031 1.00 2.12 H new ATOM 0 HG LEU A 87 2.124 -4.750 1.110 1.00 13.51 H new ATOM 0 HD11 LEU A 87 3.890 -5.022 -0.588 1.00 41.50 H new ATOM 0 HD12 LEU A 87 3.010 -6.542 -0.301 1.00 41.50 H new ATOM 0 HD13 LEU A 87 2.671 -5.579 -1.759 1.00 41.50 H new ATOM 0 HD21 LEU A 87 2.751 -2.850 -0.330 1.00 24.54 H new ATOM 0 HD22 LEU A 87 1.486 -3.320 -1.491 1.00 24.54 H new ATOM 0 HD23 LEU A 87 1.037 -2.783 0.145 1.00 24.54 H new ATOM 1342 N LYS A 88 -2.587 -6.372 0.604 1.00 32.43 N ATOM 1343 CA LYS A 88 -3.953 -6.521 0.116 1.00 74.41 C ATOM 1344 C LYS A 88 -4.930 -5.739 0.986 1.00 41.43 C ATOM 1345 O LYS A 88 -5.589 -4.810 0.517 1.00 54.21 O ATOM 1346 CB LYS A 88 -4.348 -8.000 0.090 1.00 11.33 C ATOM 1347 CG LYS A 88 -4.891 -8.461 -1.251 1.00 23.21 C ATOM 1348 CD LYS A 88 -4.426 -9.868 -1.588 1.00 73.24 C ATOM 1349 CE LYS A 88 -4.930 -10.310 -2.953 1.00 52.13 C ATOM 1350 NZ LYS A 88 -4.315 -11.597 -3.381 1.00 72.45 N ATOM 0 H LYS A 88 -2.202 -7.209 1.042 1.00 32.43 H new ATOM 0 HA LYS A 88 -3.996 -6.121 -0.897 1.00 74.41 H new ATOM 0 HB2 LYS A 88 -3.478 -8.604 0.347 1.00 11.33 H new ATOM 0 HB3 LYS A 88 -5.100 -8.180 0.858 1.00 11.33 H new ATOM 0 HG2 LYS A 88 -5.980 -8.432 -1.233 1.00 23.21 H new ATOM 0 HG3 LYS A 88 -4.567 -7.773 -2.032 1.00 23.21 H new ATOM 0 HD2 LYS A 88 -3.337 -9.906 -1.571 1.00 73.24 H new ATOM 0 HD3 LYS A 88 -4.781 -10.562 -0.826 1.00 73.24 H new ATOM 0 HE2 LYS A 88 -6.014 -10.418 -2.922 1.00 52.13 H new ATOM 0 HE3 LYS A 88 -4.707 -9.538 -3.690 1.00 52.13 H new ATOM 0 HZ1 LYS A 88 -3.896 -11.484 -4.326 1.00 72.45 H new ATOM 0 HZ2 LYS A 88 -3.574 -11.870 -2.704 1.00 72.45 H new ATOM 0 HZ3 LYS A 88 -5.045 -12.337 -3.412 1.00 72.45 H new ATOM 1364 N VAL A 89 -5.018 -6.118 2.257 1.00 64.13 N ATOM 1365 CA VAL A 89 -5.914 -5.450 3.193 1.00 43.14 C ATOM 1366 C VAL A 89 -5.695 -3.941 3.182 1.00 2.15 C ATOM 1367 O VAL A 89 -6.648 -3.164 3.248 1.00 22.23 O ATOM 1368 CB VAL A 89 -5.718 -5.974 4.629 1.00 1.42 C ATOM 1369 CG1 VAL A 89 -4.258 -5.869 5.041 1.00 41.01 C ATOM 1370 CG2 VAL A 89 -6.610 -5.215 5.600 1.00 22.25 C ATOM 0 H VAL A 89 -4.480 -6.884 2.662 1.00 64.13 H new ATOM 0 HA VAL A 89 -6.931 -5.670 2.868 1.00 43.14 H new ATOM 0 HB VAL A 89 -6.004 -7.026 4.655 1.00 1.42 H new ATOM 0 HG11 VAL A 89 -4.139 -6.244 6.058 1.00 41.01 H new ATOM 0 HG12 VAL A 89 -3.645 -6.461 4.362 1.00 41.01 H new ATOM 0 HG13 VAL A 89 -3.942 -4.827 4.999 1.00 41.01 H new ATOM 0 HG21 VAL A 89 -6.458 -5.598 6.609 1.00 22.25 H new ATOM 0 HG22 VAL A 89 -6.358 -4.155 5.573 1.00 22.25 H new ATOM 0 HG23 VAL A 89 -7.654 -5.347 5.315 1.00 22.25 H new ATOM 1380 N PHE A 90 -4.434 -3.533 3.095 1.00 4.12 N ATOM 1381 CA PHE A 90 -4.089 -2.116 3.074 1.00 41.45 C ATOM 1382 C PHE A 90 -4.586 -1.453 1.792 1.00 61.13 C ATOM 1383 O PHE A 90 -5.047 -0.313 1.809 1.00 53.41 O ATOM 1384 CB PHE A 90 -2.575 -1.935 3.200 1.00 73.00 C ATOM 1385 CG PHE A 90 -2.120 -0.519 2.995 1.00 72.02 C ATOM 1386 CD1 PHE A 90 -2.044 0.360 4.064 1.00 33.04 C ATOM 1387 CD2 PHE A 90 -1.770 -0.065 1.734 1.00 22.24 C ATOM 1388 CE1 PHE A 90 -1.625 1.664 3.879 1.00 35.11 C ATOM 1389 CE2 PHE A 90 -1.351 1.237 1.543 1.00 2.33 C ATOM 1390 CZ PHE A 90 -1.280 2.104 2.616 1.00 75.33 C ATOM 0 H PHE A 90 -3.634 -4.163 3.038 1.00 4.12 H new ATOM 0 HA PHE A 90 -4.577 -1.637 3.923 1.00 41.45 H new ATOM 0 HB2 PHE A 90 -2.258 -2.270 4.188 1.00 73.00 H new ATOM 0 HB3 PHE A 90 -2.079 -2.576 2.472 1.00 73.00 H new ATOM 0 HD1 PHE A 90 -2.315 0.022 5.053 1.00 33.04 H new ATOM 0 HD2 PHE A 90 -1.825 -0.737 0.890 1.00 22.24 H new ATOM 0 HE1 PHE A 90 -1.567 2.338 4.721 1.00 35.11 H new ATOM 0 HE2 PHE A 90 -1.079 1.577 0.555 1.00 2.33 H new ATOM 0 HZ PHE A 90 -0.956 3.123 2.468 1.00 75.33 H new ATOM 1400 N ALA A 91 -4.488 -2.178 0.682 1.00 55.23 N ATOM 1401 CA ALA A 91 -4.928 -1.663 -0.608 1.00 45.11 C ATOM 1402 C ALA A 91 -6.439 -1.459 -0.630 1.00 1.41 C ATOM 1403 O ALA A 91 -6.926 -0.393 -1.008 1.00 44.44 O ATOM 1404 CB ALA A 91 -4.505 -2.605 -1.724 1.00 11.24 C ATOM 0 H ALA A 91 -4.108 -3.124 0.651 1.00 55.23 H new ATOM 0 HA ALA A 91 -4.454 -0.694 -0.766 1.00 45.11 H new ATOM 0 HB1 ALA A 91 -4.840 -2.208 -2.682 1.00 11.24 H new ATOM 0 HB2 ALA A 91 -3.419 -2.698 -1.730 1.00 11.24 H new ATOM 0 HB3 ALA A 91 -4.952 -3.586 -1.561 1.00 11.24 H new ATOM 1410 N VAL A 92 -7.177 -2.487 -0.225 1.00 61.10 N ATOM 1411 CA VAL A 92 -8.634 -2.420 -0.198 1.00 35.25 C ATOM 1412 C VAL A 92 -9.120 -1.469 0.890 1.00 21.34 C ATOM 1413 O VAL A 92 -9.849 -0.516 0.614 1.00 52.44 O ATOM 1414 CB VAL A 92 -9.255 -3.810 0.034 1.00 53.35 C ATOM 1415 CG1 VAL A 92 -10.766 -3.755 -0.139 1.00 14.02 C ATOM 1416 CG2 VAL A 92 -8.638 -4.834 -0.906 1.00 23.11 C ATOM 0 H VAL A 92 -6.790 -3.377 0.089 1.00 61.10 H new ATOM 0 HA VAL A 92 -8.952 -2.046 -1.171 1.00 35.25 H new ATOM 0 HB VAL A 92 -9.042 -4.118 1.058 1.00 53.35 H new ATOM 0 HG11 VAL A 92 -11.188 -4.746 0.029 1.00 14.02 H new ATOM 0 HG12 VAL A 92 -11.189 -3.054 0.580 1.00 14.02 H new ATOM 0 HG13 VAL A 92 -11.005 -3.425 -1.150 1.00 14.02 H new ATOM 0 HG21 VAL A 92 -9.089 -5.810 -0.727 1.00 23.11 H new ATOM 0 HG22 VAL A 92 -8.818 -4.535 -1.939 1.00 23.11 H new ATOM 0 HG23 VAL A 92 -7.564 -4.892 -0.727 1.00 23.11 H new ATOM 1426 N ALA A 93 -8.712 -1.735 2.126 1.00 60.01 N ATOM 1427 CA ALA A 93 -9.104 -0.901 3.255 1.00 3.33 C ATOM 1428 C ALA A 93 -8.532 0.506 3.124 1.00 4.31 C ATOM 1429 O ALA A 93 -8.956 1.428 3.819 1.00 73.25 O ATOM 1430 CB ALA A 93 -8.653 -1.536 4.562 1.00 21.05 C ATOM 0 H ALA A 93 -8.110 -2.521 2.371 1.00 60.01 H new ATOM 0 HA ALA A 93 -10.191 -0.824 3.257 1.00 3.33 H new ATOM 0 HB1 ALA A 93 -8.952 -0.902 5.397 1.00 21.05 H new ATOM 0 HB2 ALA A 93 -9.115 -2.518 4.668 1.00 21.05 H new ATOM 0 HB3 ALA A 93 -7.568 -1.644 4.559 1.00 21.05 H new ATOM 1436 N GLY A 94 -7.563 0.665 2.226 1.00 43.11 N ATOM 1437 CA GLY A 94 -6.949 1.963 2.020 1.00 1.30 C ATOM 1438 C GLY A 94 -7.547 2.709 0.844 1.00 12.34 C ATOM 1439 O GLY A 94 -8.274 3.687 1.023 1.00 70.44 O ATOM 0 H GLY A 94 -7.193 -0.082 1.638 1.00 43.11 H new ATOM 0 HA2 GLY A 94 -7.064 2.563 2.923 1.00 1.30 H new ATOM 0 HA3 GLY A 94 -5.879 1.833 1.858 1.00 1.30 H new ATOM 1443 N LEU A 95 -7.240 2.249 -0.364 1.00 40.14 N ATOM 1444 CA LEU A 95 -7.751 2.880 -1.576 1.00 53.33 C ATOM 1445 C LEU A 95 -9.276 2.845 -1.607 1.00 54.12 C ATOM 1446 O LEU A 95 -9.923 3.838 -1.940 1.00 64.25 O ATOM 1447 CB LEU A 95 -7.189 2.180 -2.815 1.00 43.33 C ATOM 1448 CG LEU A 95 -5.727 2.480 -3.150 1.00 62.05 C ATOM 1449 CD1 LEU A 95 -5.497 3.981 -3.237 1.00 64.23 C ATOM 1450 CD2 LEU A 95 -4.804 1.857 -2.113 1.00 23.45 C ATOM 0 H LEU A 95 -6.640 1.441 -0.530 1.00 40.14 H new ATOM 0 HA LEU A 95 -7.429 3.921 -1.577 1.00 53.33 H new ATOM 0 HB2 LEU A 95 -7.297 1.104 -2.680 1.00 43.33 H new ATOM 0 HB3 LEU A 95 -7.802 2.456 -3.673 1.00 43.33 H new ATOM 0 HG LEU A 95 -5.499 2.041 -4.121 1.00 62.05 H new ATOM 0 HD11 LEU A 95 -4.452 4.176 -3.476 1.00 64.23 H new ATOM 0 HD12 LEU A 95 -6.132 4.402 -4.017 1.00 64.23 H new ATOM 0 HD13 LEU A 95 -5.743 4.443 -2.281 1.00 64.23 H new ATOM 0 HD21 LEU A 95 -3.768 2.080 -2.367 1.00 23.45 H new ATOM 0 HD22 LEU A 95 -5.033 2.267 -1.129 1.00 23.45 H new ATOM 0 HD23 LEU A 95 -4.949 0.777 -2.099 1.00 23.45 H new ATOM 1462 N LEU A 96 -9.843 1.696 -1.255 1.00 72.11 N ATOM 1463 CA LEU A 96 -11.292 1.532 -1.239 1.00 62.14 C ATOM 1464 C LEU A 96 -11.873 1.945 0.110 1.00 25.34 C ATOM 1465 O LEU A 96 -13.086 1.913 0.309 1.00 52.44 O ATOM 1466 CB LEU A 96 -11.664 0.080 -1.544 1.00 54.03 C ATOM 1467 CG LEU A 96 -12.626 -0.136 -2.713 1.00 13.11 C ATOM 1468 CD1 LEU A 96 -13.980 0.485 -2.411 1.00 25.14 C ATOM 1469 CD2 LEU A 96 -12.044 0.442 -3.995 1.00 61.14 C ATOM 0 H LEU A 96 -9.321 0.865 -0.977 1.00 72.11 H new ATOM 0 HA LEU A 96 -11.714 2.178 -2.008 1.00 62.14 H new ATOM 0 HB2 LEU A 96 -10.747 -0.474 -1.747 1.00 54.03 H new ATOM 0 HB3 LEU A 96 -12.108 -0.356 -0.649 1.00 54.03 H new ATOM 0 HG LEU A 96 -12.765 -1.208 -2.852 1.00 13.11 H new ATOM 0 HD11 LEU A 96 -14.651 0.321 -3.254 1.00 25.14 H new ATOM 0 HD12 LEU A 96 -14.401 0.024 -1.517 1.00 25.14 H new ATOM 0 HD13 LEU A 96 -13.860 1.556 -2.245 1.00 25.14 H new ATOM 0 HD21 LEU A 96 -12.741 0.280 -4.817 1.00 61.14 H new ATOM 0 HD22 LEU A 96 -11.875 1.511 -3.868 1.00 61.14 H new ATOM 0 HD23 LEU A 96 -11.098 -0.050 -4.219 1.00 61.14 H new ATOM 1481 N ASN A 97 -10.997 2.335 1.030 1.00 62.24 N ATOM 1482 CA ASN A 97 -11.423 2.756 2.360 1.00 2.50 C ATOM 1483 C ASN A 97 -12.343 1.717 2.992 1.00 31.21 C ATOM 1484 O ASN A 97 -13.213 2.049 3.797 1.00 15.40 O ATOM 1485 CB ASN A 97 -12.139 4.107 2.285 1.00 3.33 C ATOM 1486 CG ASN A 97 -11.225 5.219 1.808 1.00 1.31 C ATOM 1487 OD1 ASN A 97 -10.728 5.190 0.682 1.00 0.34 O ATOM 1488 ND2 ASN A 97 -10.999 6.208 2.665 1.00 42.21 N ATOM 0 H ASN A 97 -9.989 2.368 0.879 1.00 62.24 H new ATOM 0 HA ASN A 97 -10.534 2.856 2.983 1.00 2.50 H new ATOM 0 HB2 ASN A 97 -12.992 4.027 1.611 1.00 3.33 H new ATOM 0 HB3 ASN A 97 -12.534 4.361 3.269 1.00 3.33 H new ATOM 0 HD21 ASN A 97 -10.393 6.984 2.400 1.00 42.21 H new ATOM 0 HD22 ASN A 97 -11.432 6.191 3.588 1.00 42.21 H new ATOM 1495 N MET A 98 -12.144 0.456 2.621 1.00 14.11 N ATOM 1496 CA MET A 98 -12.954 -0.633 3.153 1.00 73.12 C ATOM 1497 C MET A 98 -12.648 -0.868 4.630 1.00 21.34 C ATOM 1498 O MET A 98 -11.547 -0.582 5.099 1.00 14.04 O ATOM 1499 CB MET A 98 -12.707 -1.917 2.359 1.00 14.25 C ATOM 1500 CG MET A 98 -13.925 -2.821 2.270 1.00 33.41 C ATOM 1501 SD MET A 98 -14.881 -2.551 0.766 1.00 21.51 S ATOM 1502 CE MET A 98 -16.548 -2.793 1.376 1.00 3.43 C ATOM 0 H MET A 98 -11.429 0.164 1.955 1.00 14.11 H new ATOM 0 HA MET A 98 -14.003 -0.352 3.058 1.00 73.12 H new ATOM 0 HB2 MET A 98 -12.385 -1.655 1.351 1.00 14.25 H new ATOM 0 HB3 MET A 98 -11.889 -2.469 2.822 1.00 14.25 H new ATOM 0 HG2 MET A 98 -13.604 -3.862 2.310 1.00 33.41 H new ATOM 0 HG3 MET A 98 -14.563 -2.651 3.137 1.00 33.41 H new ATOM 0 HE1 MET A 98 -17.257 -2.659 0.559 1.00 3.43 H new ATOM 0 HE2 MET A 98 -16.645 -3.801 1.779 1.00 3.43 H new ATOM 0 HE3 MET A 98 -16.757 -2.067 2.161 1.00 3.43 H new ATOM 1512 N THR A 99 -13.631 -1.389 5.357 1.00 73.24 N ATOM 1513 CA THR A 99 -13.467 -1.661 6.780 1.00 1.02 C ATOM 1514 C THR A 99 -13.205 -3.141 7.031 1.00 34.42 C ATOM 1515 O THR A 99 -13.931 -3.792 7.782 1.00 41.14 O ATOM 1516 CB THR A 99 -14.708 -1.228 7.581 1.00 61.23 C ATOM 1517 OG1 THR A 99 -15.266 -0.037 7.015 1.00 23.52 O ATOM 1518 CG2 THR A 99 -14.354 -0.983 9.040 1.00 13.04 C ATOM 0 H THR A 99 -14.549 -1.631 4.984 1.00 73.24 H new ATOM 0 HA THR A 99 -12.607 -1.081 7.115 1.00 1.02 H new ATOM 0 HB THR A 99 -15.442 -2.032 7.532 1.00 61.23 H new ATOM 0 HG1 THR A 99 -16.056 0.231 7.529 1.00 23.52 H new ATOM 0 HG21 THR A 99 -15.247 -0.678 9.585 1.00 13.04 H new ATOM 0 HG22 THR A 99 -13.957 -1.899 9.477 1.00 13.04 H new ATOM 0 HG23 THR A 99 -13.603 -0.196 9.105 1.00 13.04 H new ATOM 1526 N VAL A 100 -12.162 -3.669 6.398 1.00 73.51 N ATOM 1527 CA VAL A 100 -11.803 -5.074 6.554 1.00 61.03 C ATOM 1528 C VAL A 100 -11.693 -5.453 8.027 1.00 24.12 C ATOM 1529 O VAL A 100 -11.172 -4.688 8.837 1.00 10.43 O ATOM 1530 CB VAL A 100 -10.471 -5.394 5.851 1.00 53.44 C ATOM 1531 CG1 VAL A 100 -10.103 -6.857 6.047 1.00 51.41 C ATOM 1532 CG2 VAL A 100 -10.552 -5.049 4.372 1.00 60.32 C ATOM 0 H VAL A 100 -11.551 -3.145 5.772 1.00 73.51 H new ATOM 0 HA VAL A 100 -12.599 -5.658 6.091 1.00 61.03 H new ATOM 0 HB VAL A 100 -9.687 -4.783 6.299 1.00 53.44 H new ATOM 0 HG11 VAL A 100 -9.159 -7.065 5.543 1.00 51.41 H new ATOM 0 HG12 VAL A 100 -10.000 -7.067 7.112 1.00 51.41 H new ATOM 0 HG13 VAL A 100 -10.886 -7.489 5.626 1.00 51.41 H new ATOM 0 HG21 VAL A 100 -9.602 -5.282 3.892 1.00 60.32 H new ATOM 0 HG22 VAL A 100 -11.347 -5.631 3.906 1.00 60.32 H new ATOM 0 HG23 VAL A 100 -10.766 -3.986 4.257 1.00 60.32 H new ATOM 1542 N SER A 101 -12.188 -6.639 8.366 1.00 45.14 N ATOM 1543 CA SER A 101 -12.149 -7.118 9.742 1.00 55.11 C ATOM 1544 C SER A 101 -10.920 -7.992 9.978 1.00 41.14 C ATOM 1545 O SER A 101 -10.400 -8.067 11.092 1.00 63.14 O ATOM 1546 CB SER A 101 -13.418 -7.905 10.067 1.00 64.55 C ATOM 1547 OG SER A 101 -14.523 -7.423 9.321 1.00 51.45 O ATOM 0 H SER A 101 -12.621 -7.286 7.706 1.00 45.14 H new ATOM 0 HA SER A 101 -12.090 -6.251 10.401 1.00 55.11 H new ATOM 0 HB2 SER A 101 -13.261 -8.961 9.848 1.00 64.55 H new ATOM 0 HB3 SER A 101 -13.634 -7.829 11.133 1.00 64.55 H new ATOM 0 HG SER A 101 -15.322 -7.944 9.546 1.00 51.45 H new ATOM 1553 N THR A 102 -10.460 -8.653 8.920 1.00 62.24 N ATOM 1554 CA THR A 102 -9.295 -9.523 9.011 1.00 23.50 C ATOM 1555 C THR A 102 -8.504 -9.519 7.707 1.00 40.13 C ATOM 1556 O THR A 102 -9.080 -9.509 6.621 1.00 0.24 O ATOM 1557 CB THR A 102 -9.700 -10.971 9.347 1.00 50.01 C ATOM 1558 OG1 THR A 102 -10.396 -11.555 8.240 1.00 14.12 O ATOM 1559 CG2 THR A 102 -10.581 -11.013 10.586 1.00 61.31 C ATOM 0 H THR A 102 -10.877 -8.602 7.990 1.00 62.24 H new ATOM 0 HA THR A 102 -8.670 -9.132 9.814 1.00 23.50 H new ATOM 0 HB THR A 102 -8.793 -11.541 9.546 1.00 50.01 H new ATOM 0 HG1 THR A 102 -10.648 -12.476 8.461 1.00 14.12 H new ATOM 0 HG21 THR A 102 -10.854 -12.046 10.803 1.00 61.31 H new ATOM 0 HG22 THR A 102 -10.037 -10.595 11.433 1.00 61.31 H new ATOM 0 HG23 THR A 102 -11.484 -10.428 10.410 1.00 61.31 H new ATOM 1567 N ALA A 103 -7.180 -9.528 7.824 1.00 42.33 N ATOM 1568 CA ALA A 103 -6.310 -9.527 6.656 1.00 35.32 C ATOM 1569 C ALA A 103 -6.700 -10.632 5.681 1.00 35.35 C ATOM 1570 O ALA A 103 -6.573 -10.476 4.467 1.00 25.41 O ATOM 1571 CB ALA A 103 -4.856 -9.683 7.079 1.00 42.54 C ATOM 0 H ALA A 103 -6.687 -9.536 8.717 1.00 42.33 H new ATOM 0 HA ALA A 103 -6.428 -8.570 6.147 1.00 35.32 H new ATOM 0 HB1 ALA A 103 -4.218 -9.681 6.195 1.00 42.54 H new ATOM 0 HB2 ALA A 103 -4.576 -8.856 7.731 1.00 42.54 H new ATOM 0 HB3 ALA A 103 -4.732 -10.625 7.614 1.00 42.54 H new ATOM 1577 N ALA A 104 -7.173 -11.751 6.220 1.00 14.25 N ATOM 1578 CA ALA A 104 -7.582 -12.883 5.397 1.00 51.45 C ATOM 1579 C ALA A 104 -8.784 -12.525 4.530 1.00 14.22 C ATOM 1580 O ALA A 104 -8.763 -12.714 3.315 1.00 35.12 O ATOM 1581 CB ALA A 104 -7.900 -14.085 6.274 1.00 71.12 C ATOM 0 H ALA A 104 -7.282 -11.898 7.223 1.00 14.25 H new ATOM 0 HA ALA A 104 -6.754 -13.139 4.736 1.00 51.45 H new ATOM 0 HB1 ALA A 104 -8.204 -14.923 5.647 1.00 71.12 H new ATOM 0 HB2 ALA A 104 -7.015 -14.362 6.846 1.00 71.12 H new ATOM 0 HB3 ALA A 104 -8.710 -13.832 6.959 1.00 71.12 H new ATOM 1587 N ALA A 105 -9.830 -12.006 5.164 1.00 21.41 N ATOM 1588 CA ALA A 105 -11.041 -11.621 4.449 1.00 41.20 C ATOM 1589 C ALA A 105 -10.724 -10.655 3.312 1.00 75.23 C ATOM 1590 O ALA A 105 -11.315 -10.733 2.236 1.00 22.45 O ATOM 1591 CB ALA A 105 -12.044 -10.997 5.409 1.00 22.13 C ATOM 0 H ALA A 105 -9.864 -11.842 6.170 1.00 21.41 H new ATOM 0 HA ALA A 105 -11.479 -12.520 4.016 1.00 41.20 H new ATOM 0 HB1 ALA A 105 -12.943 -10.714 4.862 1.00 22.13 H new ATOM 0 HB2 ALA A 105 -12.302 -11.718 6.185 1.00 22.13 H new ATOM 0 HB3 ALA A 105 -11.605 -10.111 5.869 1.00 22.13 H new ATOM 1597 N ALA A 106 -9.787 -9.745 3.559 1.00 34.25 N ATOM 1598 CA ALA A 106 -9.390 -8.766 2.554 1.00 44.32 C ATOM 1599 C ALA A 106 -8.804 -9.448 1.323 1.00 15.53 C ATOM 1600 O ALA A 106 -9.247 -9.210 0.201 1.00 60.11 O ATOM 1601 CB ALA A 106 -8.389 -7.783 3.143 1.00 10.54 C ATOM 0 H ALA A 106 -9.289 -9.665 4.446 1.00 34.25 H new ATOM 0 HA ALA A 106 -10.280 -8.219 2.243 1.00 44.32 H new ATOM 0 HB1 ALA A 106 -8.101 -7.058 2.382 1.00 10.54 H new ATOM 0 HB2 ALA A 106 -8.843 -7.263 3.987 1.00 10.54 H new ATOM 0 HB3 ALA A 106 -7.505 -8.323 3.483 1.00 10.54 H new ATOM 1607 N GLU A 107 -7.804 -10.296 1.542 1.00 55.42 N ATOM 1608 CA GLU A 107 -7.157 -11.011 0.449 1.00 15.14 C ATOM 1609 C GLU A 107 -8.181 -11.776 -0.384 1.00 1.02 C ATOM 1610 O GLU A 107 -8.039 -11.902 -1.599 1.00 43.51 O ATOM 1611 CB GLU A 107 -6.104 -11.979 0.996 1.00 3.34 C ATOM 1612 CG GLU A 107 -5.537 -12.919 -0.056 1.00 4.42 C ATOM 1613 CD GLU A 107 -4.029 -13.055 0.036 1.00 41.13 C ATOM 1614 OE1 GLU A 107 -3.501 -13.034 1.168 1.00 55.11 O ATOM 1615 OE2 GLU A 107 -3.379 -13.183 -1.021 1.00 15.42 O ATOM 0 H GLU A 107 -7.425 -10.504 2.466 1.00 55.42 H new ATOM 0 HA GLU A 107 -6.669 -10.277 -0.192 1.00 15.14 H new ATOM 0 HB2 GLU A 107 -5.288 -11.405 1.436 1.00 3.34 H new ATOM 0 HB3 GLU A 107 -6.547 -12.569 1.798 1.00 3.34 H new ATOM 0 HG2 GLU A 107 -5.994 -13.902 0.056 1.00 4.42 H new ATOM 0 HG3 GLU A 107 -5.805 -12.554 -1.047 1.00 4.42 H new ATOM 1622 N ASN A 108 -9.215 -12.283 0.280 1.00 55.12 N ATOM 1623 CA ASN A 108 -10.264 -13.036 -0.398 1.00 34.14 C ATOM 1624 C ASN A 108 -11.111 -12.119 -1.275 1.00 41.34 C ATOM 1625 O ASN A 108 -11.555 -12.511 -2.353 1.00 11.43 O ATOM 1626 CB ASN A 108 -11.153 -13.746 0.624 1.00 75.01 C ATOM 1627 CG ASN A 108 -11.509 -15.157 0.198 1.00 71.32 C ATOM 1628 OD1 ASN A 108 -10.654 -16.043 0.164 1.00 50.35 O ATOM 1629 ND2 ASN A 108 -12.778 -15.373 -0.130 1.00 33.32 N ATOM 0 H ASN A 108 -9.349 -12.186 1.287 1.00 55.12 H new ATOM 0 HA ASN A 108 -9.788 -13.781 -1.035 1.00 34.14 H new ATOM 0 HB2 ASN A 108 -10.642 -13.778 1.586 1.00 75.01 H new ATOM 0 HB3 ASN A 108 -12.068 -13.171 0.768 1.00 75.01 H new ATOM 0 HD21 ASN A 108 -13.078 -16.302 -0.425 1.00 33.32 H new ATOM 0 HD22 ASN A 108 -13.453 -14.609 -0.087 1.00 33.32 H new ATOM 1636 N MET A 109 -11.331 -10.896 -0.802 1.00 25.33 N ATOM 1637 CA MET A 109 -12.124 -9.923 -1.544 1.00 5.04 C ATOM 1638 C MET A 109 -11.421 -9.520 -2.838 1.00 72.25 C ATOM 1639 O MET A 109 -12.029 -9.509 -3.908 1.00 11.12 O ATOM 1640 CB MET A 109 -12.384 -8.683 -0.685 1.00 72.02 C ATOM 1641 CG MET A 109 -13.831 -8.545 -0.241 1.00 71.51 C ATOM 1642 SD MET A 109 -14.393 -9.949 0.742 1.00 32.00 S ATOM 1643 CE MET A 109 -15.267 -9.110 2.061 1.00 72.34 C ATOM 0 H MET A 109 -10.972 -10.556 0.090 1.00 25.33 H new ATOM 0 HA MET A 109 -13.077 -10.387 -1.798 1.00 5.04 H new ATOM 0 HB2 MET A 109 -11.744 -8.721 0.196 1.00 72.02 H new ATOM 0 HB3 MET A 109 -12.099 -7.794 -1.248 1.00 72.02 H new ATOM 0 HG2 MET A 109 -13.943 -7.631 0.342 1.00 71.51 H new ATOM 0 HG3 MET A 109 -14.468 -8.443 -1.119 1.00 71.51 H new ATOM 0 HE1 MET A 109 -15.674 -9.847 2.754 1.00 72.34 H new ATOM 0 HE2 MET A 109 -14.579 -8.453 2.593 1.00 72.34 H new ATOM 0 HE3 MET A 109 -16.081 -8.519 1.640 1.00 72.34 H new ATOM 1653 N TYR A 110 -10.138 -9.191 -2.730 1.00 45.42 N ATOM 1654 CA TYR A 110 -9.354 -8.785 -3.890 1.00 20.20 C ATOM 1655 C TYR A 110 -9.278 -9.911 -4.917 1.00 23.12 C ATOM 1656 O TYR A 110 -9.469 -9.689 -6.113 1.00 61.03 O ATOM 1657 CB TYR A 110 -7.943 -8.376 -3.461 1.00 64.33 C ATOM 1658 CG TYR A 110 -7.495 -7.051 -4.037 1.00 72.34 C ATOM 1659 CD1 TYR A 110 -6.291 -6.942 -4.721 1.00 52.10 C ATOM 1660 CD2 TYR A 110 -8.276 -5.911 -3.896 1.00 22.34 C ATOM 1661 CE1 TYR A 110 -5.877 -5.734 -5.248 1.00 42.44 C ATOM 1662 CE2 TYR A 110 -7.871 -4.699 -4.421 1.00 30.13 C ATOM 1663 CZ TYR A 110 -6.670 -4.616 -5.096 1.00 24.14 C ATOM 1664 OH TYR A 110 -6.263 -3.410 -5.620 1.00 13.43 O ATOM 0 H TYR A 110 -9.620 -9.198 -1.852 1.00 45.42 H new ATOM 0 HA TYR A 110 -9.849 -7.930 -4.350 1.00 20.20 H new ATOM 0 HB2 TYR A 110 -7.905 -8.321 -2.373 1.00 64.33 H new ATOM 0 HB3 TYR A 110 -7.240 -9.151 -3.766 1.00 64.33 H new ATOM 0 HD1 TYR A 110 -5.668 -7.816 -4.843 1.00 52.10 H new ATOM 0 HD2 TYR A 110 -9.216 -5.973 -3.367 1.00 22.34 H new ATOM 0 HE1 TYR A 110 -4.937 -5.666 -5.776 1.00 42.44 H new ATOM 0 HE2 TYR A 110 -8.490 -3.822 -4.304 1.00 30.13 H new ATOM 0 HH TYR A 110 -5.284 -3.369 -5.624 1.00 13.43 H new ATOM 1674 N SER A 111 -8.999 -11.120 -4.441 1.00 63.01 N ATOM 1675 CA SER A 111 -8.895 -12.281 -5.316 1.00 42.11 C ATOM 1676 C SER A 111 -10.251 -12.626 -5.926 1.00 4.43 C ATOM 1677 O SER A 111 -10.361 -12.855 -7.130 1.00 62.13 O ATOM 1678 CB SER A 111 -8.352 -13.483 -4.542 1.00 71.52 C ATOM 1679 OG SER A 111 -8.976 -14.684 -4.960 1.00 61.41 O ATOM 0 H SER A 111 -8.841 -11.321 -3.454 1.00 63.01 H new ATOM 0 HA SER A 111 -8.205 -12.035 -6.123 1.00 42.11 H new ATOM 0 HB2 SER A 111 -7.275 -13.559 -4.691 1.00 71.52 H new ATOM 0 HB3 SER A 111 -8.517 -13.337 -3.475 1.00 71.52 H new ATOM 0 HG SER A 111 -8.610 -15.437 -4.451 1.00 61.41 H new ATOM 1685 N GLN A 112 -11.280 -12.657 -5.085 1.00 74.51 N ATOM 1686 CA GLN A 112 -12.628 -12.974 -5.541 1.00 71.34 C ATOM 1687 C GLN A 112 -13.139 -11.913 -6.509 1.00 2.12 C ATOM 1688 O GLN A 112 -13.912 -12.209 -7.419 1.00 72.51 O ATOM 1689 CB GLN A 112 -13.578 -13.093 -4.347 1.00 2.21 C ATOM 1690 CG GLN A 112 -14.992 -13.493 -4.733 1.00 44.13 C ATOM 1691 CD GLN A 112 -15.917 -13.598 -3.535 1.00 3.55 C ATOM 1692 OE1 GLN A 112 -15.478 -13.882 -2.420 1.00 11.25 O ATOM 1693 NE2 GLN A 112 -17.205 -13.366 -3.759 1.00 35.02 N ATOM 0 H GLN A 112 -11.206 -12.467 -4.086 1.00 74.51 H new ATOM 0 HA GLN A 112 -12.592 -13.929 -6.065 1.00 71.34 H new ATOM 0 HB2 GLN A 112 -13.179 -13.828 -3.648 1.00 2.21 H new ATOM 0 HB3 GLN A 112 -13.610 -12.138 -3.822 1.00 2.21 H new ATOM 0 HG2 GLN A 112 -15.394 -12.762 -5.434 1.00 44.13 H new ATOM 0 HG3 GLN A 112 -14.966 -14.451 -5.252 1.00 44.13 H new ATOM 0 HE21 GLN A 112 -17.525 -13.134 -4.699 1.00 35.02 H new ATOM 0 HE22 GLN A 112 -17.874 -13.420 -2.991 1.00 35.02 H new ATOM 1702 N MET A 113 -12.702 -10.674 -6.305 1.00 32.52 N ATOM 1703 CA MET A 113 -13.115 -9.568 -7.161 1.00 22.11 C ATOM 1704 C MET A 113 -12.603 -9.763 -8.586 1.00 44.44 C ATOM 1705 O MET A 113 -13.162 -9.217 -9.536 1.00 54.21 O ATOM 1706 CB MET A 113 -12.603 -8.241 -6.599 1.00 61.31 C ATOM 1707 CG MET A 113 -13.625 -7.506 -5.748 1.00 64.24 C ATOM 1708 SD MET A 113 -14.414 -6.144 -6.630 1.00 54.20 S ATOM 1709 CE MET A 113 -13.460 -4.753 -6.027 1.00 61.11 C ATOM 0 H MET A 113 -12.063 -10.411 -5.555 1.00 32.52 H new ATOM 0 HA MET A 113 -14.205 -9.547 -7.185 1.00 22.11 H new ATOM 0 HB2 MET A 113 -11.712 -8.429 -6.000 1.00 61.31 H new ATOM 0 HB3 MET A 113 -12.301 -7.598 -7.426 1.00 61.31 H new ATOM 0 HG2 MET A 113 -14.389 -8.209 -5.416 1.00 64.24 H new ATOM 0 HG3 MET A 113 -13.137 -7.120 -4.853 1.00 64.24 H new ATOM 0 HE1 MET A 113 -13.829 -3.834 -6.482 1.00 61.11 H new ATOM 0 HE2 MET A 113 -13.559 -4.686 -4.944 1.00 61.11 H new ATOM 0 HE3 MET A 113 -12.411 -4.891 -6.288 1.00 61.11 H new