USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 879 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00893 USER MOD Single : A 29 THR OG1 : rot -172:sc= -0.881 USER MOD Single : A 30 CYS SG : rot -52:sc= -0.568 USER MOD Single : A 31 THR OG1 : rot 126:sc= 1.35 USER MOD Single : A 32 THR OG1 : rot 13:sc= -0.255! USER MOD Single : A 35 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.6!) USER MOD Single : A 37 ASN : amide:sc= -0.0087 X(o=-0.0087,f=-0.41) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 53 SER OG : rot 150:sc= -0.126 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -6.55! C(o=-6.5!,f=-5!) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -0.159 (180deg=-1.45!) USER MOD Single : A 71 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.3!) USER MOD Single : A 73 HIS : no HE2:sc= -2.56 K(o=-2.6,f=-3.3!) USER MOD Single : A 75 MET CE :methyl 166:sc= 0 (180deg=-0.0792) USER MOD Single : A 81 MET CE :methyl -169:sc= -5.08! (180deg=-5.27) USER MOD Single : A 82 THR OG1 : rot 130:sc= -1.21 USER MOD Single : A 84 HIS : no HD1:sc= -1.28 K(o=-1.3,f=0.025) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 80:sc= -3.06! USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 96 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.31) USER MOD Single : A 101 TYR OH : rot 30:sc= -1.27 USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= -0.971! (180deg=-1.27!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.0126 X(o=0.013,f=-0.13) USER MOD Single : A 122 TYR OH : rot -64:sc= 0.563 USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 4.250 -3.448 -1.922 1.00 33.12 N ATOM 36 CA ARG A 3 5.471 -3.737 -2.664 1.00 54.24 C ATOM 37 C ARG A 3 5.983 -5.138 -2.344 1.00 41.04 C ATOM 38 O ARG A 3 7.007 -5.571 -2.871 1.00 50.15 O ATOM 39 CB ARG A 3 6.548 -2.701 -2.338 1.00 63.12 C ATOM 40 CG ARG A 3 7.407 -3.072 -1.140 1.00 34.10 C ATOM 41 CD ARG A 3 6.566 -3.249 0.115 1.00 55.44 C ATOM 42 NE ARG A 3 5.986 -1.987 0.567 1.00 4.33 N ATOM 43 CZ ARG A 3 5.441 -1.817 1.766 1.00 14.14 C ATOM 44 NH1 ARG A 3 5.400 -2.823 2.629 1.00 62.34 N ATOM 45 NH2 ARG A 3 4.934 -0.638 2.105 1.00 22.13 N ATOM 0 HA ARG A 3 5.240 -3.688 -3.728 1.00 54.24 H new ATOM 0 HB2 ARG A 3 7.191 -2.571 -3.209 1.00 63.12 H new ATOM 0 HB3 ARG A 3 6.070 -1.740 -2.148 1.00 63.12 H new ATOM 0 HG2 ARG A 3 7.948 -3.995 -1.350 1.00 34.10 H new ATOM 0 HG3 ARG A 3 8.154 -2.296 -0.972 1.00 34.10 H new ATOM 0 HD2 ARG A 3 5.768 -3.965 -0.081 1.00 55.44 H new ATOM 0 HD3 ARG A 3 7.183 -3.669 0.909 1.00 55.44 H new ATOM 0 HE ARG A 3 6.000 -1.193 -0.073 1.00 4.33 H new ATOM 0 HH11 ARG A 3 5.788 -3.731 2.373 1.00 62.34 H new ATOM 0 HH12 ARG A 3 4.981 -2.689 3.549 1.00 62.34 H new ATOM 0 HH21 ARG A 3 4.963 0.139 1.444 1.00 22.13 H new ATOM 0 HH22 ARG A 3 4.516 -0.509 3.026 1.00 22.13 H new ATOM 59 N GLY A 4 5.263 -5.842 -1.476 1.00 63.10 N ATOM 60 CA GLY A 4 5.661 -7.186 -1.100 1.00 60.12 C ATOM 61 C GLY A 4 4.494 -8.021 -0.613 1.00 33.31 C ATOM 62 O GLY A 4 3.983 -7.804 0.486 1.00 31.33 O ATOM 0 H GLY A 4 4.411 -5.506 -1.027 1.00 63.10 H new ATOM 0 HA2 GLY A 4 6.123 -7.678 -1.956 1.00 60.12 H new ATOM 0 HA3 GLY A 4 6.417 -7.132 -0.317 1.00 60.12 H new ATOM 66 N ILE A 5 4.070 -8.977 -1.432 1.00 74.43 N ATOM 67 CA ILE A 5 2.955 -9.847 -1.078 1.00 73.13 C ATOM 68 C ILE A 5 3.407 -10.972 -0.154 1.00 21.05 C ATOM 69 O ILE A 5 4.486 -11.539 -0.329 1.00 74.03 O ATOM 70 CB ILE A 5 2.299 -10.459 -2.330 1.00 72.31 C ATOM 71 CG1 ILE A 5 1.680 -9.361 -3.197 1.00 52.01 C ATOM 72 CG2 ILE A 5 1.246 -11.482 -1.930 1.00 30.12 C ATOM 73 CD1 ILE A 5 1.347 -9.815 -4.601 1.00 62.11 C ATOM 0 H ILE A 5 4.482 -9.169 -2.345 1.00 74.43 H new ATOM 0 HA ILE A 5 2.223 -9.227 -0.560 1.00 73.13 H new ATOM 0 HB ILE A 5 3.068 -10.966 -2.913 1.00 72.31 H new ATOM 0 HG12 ILE A 5 0.771 -8.999 -2.716 1.00 52.01 H new ATOM 0 HG13 ILE A 5 2.370 -8.519 -3.250 1.00 52.01 H new ATOM 0 HG21 ILE A 5 0.791 -11.906 -2.826 1.00 30.12 H new ATOM 0 HG22 ILE A 5 1.713 -12.277 -1.349 1.00 30.12 H new ATOM 0 HG23 ILE A 5 0.478 -10.997 -1.328 1.00 30.12 H new ATOM 0 HD11 ILE A 5 0.912 -8.985 -5.158 1.00 62.11 H new ATOM 0 HD12 ILE A 5 2.256 -10.150 -5.100 1.00 62.11 H new ATOM 0 HD13 ILE A 5 0.633 -10.637 -4.558 1.00 62.11 H new ATOM 85 N VAL A 6 2.574 -11.292 0.832 1.00 43.30 N ATOM 86 CA VAL A 6 2.887 -12.351 1.784 1.00 73.35 C ATOM 87 C VAL A 6 1.808 -13.429 1.779 1.00 25.04 C ATOM 88 O VAL A 6 0.661 -13.174 2.144 1.00 33.23 O ATOM 89 CB VAL A 6 3.037 -11.796 3.212 1.00 31.24 C ATOM 90 CG1 VAL A 6 3.652 -12.842 4.130 1.00 72.12 C ATOM 91 CG2 VAL A 6 3.872 -10.525 3.205 1.00 50.35 C ATOM 0 H VAL A 6 1.677 -10.833 0.992 1.00 43.30 H new ATOM 0 HA VAL A 6 3.835 -12.788 1.472 1.00 73.35 H new ATOM 0 HB VAL A 6 2.046 -11.550 3.593 1.00 31.24 H new ATOM 0 HG11 VAL A 6 3.750 -12.432 5.135 1.00 72.12 H new ATOM 0 HG12 VAL A 6 3.011 -13.723 4.159 1.00 72.12 H new ATOM 0 HG13 VAL A 6 4.636 -13.122 3.755 1.00 72.12 H new ATOM 0 HG21 VAL A 6 3.967 -10.147 4.223 1.00 50.35 H new ATOM 0 HG22 VAL A 6 4.862 -10.742 2.804 1.00 50.35 H new ATOM 0 HG23 VAL A 6 3.386 -9.774 2.583 1.00 50.35 H new ATOM 101 N TRP A 7 2.185 -14.633 1.365 1.00 23.21 N ATOM 102 CA TRP A 7 1.250 -15.751 1.314 1.00 31.10 C ATOM 103 C TRP A 7 1.447 -16.681 2.506 1.00 2.11 C ATOM 104 O TRP A 7 2.559 -16.827 3.015 1.00 52.32 O ATOM 105 CB TRP A 7 1.425 -16.530 0.009 1.00 30.04 C ATOM 106 CG TRP A 7 0.948 -15.781 -1.198 1.00 71.21 C ATOM 107 CD1 TRP A 7 0.330 -14.563 -1.216 1.00 64.21 C ATOM 108 CD2 TRP A 7 1.048 -16.203 -2.563 1.00 14.13 C ATOM 109 NE1 TRP A 7 0.040 -14.202 -2.510 1.00 23.32 N ATOM 110 CE2 TRP A 7 0.471 -15.191 -3.355 1.00 11.23 C ATOM 111 CE3 TRP A 7 1.570 -17.336 -3.193 1.00 13.32 C ATOM 112 CZ2 TRP A 7 0.402 -15.280 -4.742 1.00 71.54 C ATOM 113 CZ3 TRP A 7 1.500 -17.423 -4.570 1.00 62.31 C ATOM 114 CH2 TRP A 7 0.921 -16.401 -5.333 1.00 13.31 C ATOM 0 H TRP A 7 3.131 -14.860 1.060 1.00 23.21 H new ATOM 0 HA TRP A 7 0.238 -15.348 1.355 1.00 31.10 H new ATOM 0 HB2 TRP A 7 2.479 -16.778 -0.119 1.00 30.04 H new ATOM 0 HB3 TRP A 7 0.882 -17.472 0.081 1.00 30.04 H new ATOM 0 HD1 TRP A 7 0.103 -13.971 -0.342 1.00 64.21 H new ATOM 0 HE1 TRP A 7 -0.421 -13.338 -2.795 1.00 23.32 H new ATOM 0 HE3 TRP A 7 2.020 -18.129 -2.614 1.00 13.32 H new ATOM 0 HZ2 TRP A 7 -0.045 -14.493 -5.331 1.00 71.54 H new ATOM 0 HZ3 TRP A 7 1.899 -18.295 -5.067 1.00 62.31 H new ATOM 0 HH2 TRP A 7 0.883 -16.499 -6.408 1.00 13.31 H new ATOM 125 N VAL A 8 0.362 -17.309 2.948 1.00 51.42 N ATOM 126 CA VAL A 8 0.417 -18.226 4.080 1.00 53.12 C ATOM 127 C VAL A 8 -0.283 -19.541 3.756 1.00 62.13 C ATOM 128 O VAL A 8 -1.278 -19.566 3.031 1.00 0.44 O ATOM 129 CB VAL A 8 -0.230 -17.609 5.334 1.00 1.31 C ATOM 130 CG1 VAL A 8 -0.181 -18.588 6.497 1.00 4.32 C ATOM 131 CG2 VAL A 8 0.456 -16.301 5.698 1.00 43.30 C ATOM 0 H VAL A 8 -0.566 -17.199 2.539 1.00 51.42 H new ATOM 0 HA VAL A 8 1.471 -18.418 4.281 1.00 53.12 H new ATOM 0 HB VAL A 8 -1.276 -17.395 5.114 1.00 1.31 H new ATOM 0 HG11 VAL A 8 -0.643 -18.134 7.374 1.00 4.32 H new ATOM 0 HG12 VAL A 8 -0.722 -19.496 6.231 1.00 4.32 H new ATOM 0 HG13 VAL A 8 0.857 -18.836 6.721 1.00 4.32 H new ATOM 0 HG21 VAL A 8 -0.014 -15.879 6.586 1.00 43.30 H new ATOM 0 HG22 VAL A 8 1.511 -16.487 5.899 1.00 43.30 H new ATOM 0 HG23 VAL A 8 0.363 -15.599 4.870 1.00 43.30 H new ATOM 141 N VAL A 9 0.244 -20.635 4.298 1.00 43.44 N ATOM 142 CA VAL A 9 -0.330 -21.955 4.068 1.00 52.23 C ATOM 143 C VAL A 9 -0.247 -22.816 5.323 1.00 61.43 C ATOM 144 O VAL A 9 0.798 -22.891 5.969 1.00 43.50 O ATOM 145 CB VAL A 9 0.380 -22.682 2.911 1.00 70.32 C ATOM 146 CG1 VAL A 9 1.824 -22.988 3.278 1.00 1.32 C ATOM 147 CG2 VAL A 9 -0.367 -23.956 2.545 1.00 65.21 C ATOM 0 H VAL A 9 1.068 -20.633 4.900 1.00 43.44 H new ATOM 0 HA VAL A 9 -1.377 -21.804 3.804 1.00 52.23 H new ATOM 0 HB VAL A 9 0.383 -22.026 2.040 1.00 70.32 H new ATOM 0 HG11 VAL A 9 2.309 -23.502 2.448 1.00 1.32 H new ATOM 0 HG12 VAL A 9 2.351 -22.057 3.487 1.00 1.32 H new ATOM 0 HG13 VAL A 9 1.848 -23.625 4.162 1.00 1.32 H new ATOM 0 HG21 VAL A 9 0.148 -24.457 1.726 1.00 65.21 H new ATOM 0 HG22 VAL A 9 -0.403 -24.618 3.410 1.00 65.21 H new ATOM 0 HG23 VAL A 9 -1.382 -23.707 2.237 1.00 65.21 H new ATOM 157 N ASP A 10 -1.355 -23.466 5.662 1.00 63.53 N ATOM 158 CA ASP A 10 -1.407 -24.325 6.839 1.00 32.32 C ATOM 159 C ASP A 10 -2.565 -25.313 6.740 1.00 74.21 C ATOM 160 O ASP A 10 -3.181 -25.460 5.684 1.00 43.53 O ATOM 161 CB ASP A 10 -1.548 -23.481 8.107 1.00 51.13 C ATOM 162 CG ASP A 10 -2.847 -22.700 8.141 1.00 72.21 C ATOM 163 OD1 ASP A 10 -3.627 -22.802 7.170 1.00 21.24 O ATOM 164 OD2 ASP A 10 -3.085 -21.988 9.138 1.00 4.34 O ATOM 0 H ASP A 10 -2.229 -23.414 5.138 1.00 63.53 H new ATOM 0 HA ASP A 10 -0.475 -24.888 6.888 1.00 32.32 H new ATOM 0 HB2 ASP A 10 -1.495 -24.131 8.980 1.00 51.13 H new ATOM 0 HB3 ASP A 10 -0.709 -22.788 8.174 1.00 51.13 H new ATOM 169 N ASP A 11 -2.856 -25.989 7.846 1.00 62.31 N ATOM 170 CA ASP A 11 -3.940 -26.964 7.884 1.00 50.12 C ATOM 171 C ASP A 11 -5.023 -26.534 8.868 1.00 11.32 C ATOM 172 O ASP A 11 -6.101 -27.127 8.919 1.00 43.10 O ATOM 173 CB ASP A 11 -3.402 -28.343 8.269 1.00 42.31 C ATOM 174 CG ASP A 11 -3.717 -29.399 7.228 1.00 52.20 C ATOM 175 OD1 ASP A 11 -3.733 -29.061 6.026 1.00 4.42 O ATOM 176 OD2 ASP A 11 -3.950 -30.563 7.615 1.00 24.32 O ATOM 0 H ASP A 11 -2.356 -25.880 8.728 1.00 62.31 H new ATOM 0 HA ASP A 11 -4.380 -27.020 6.888 1.00 50.12 H new ATOM 0 HB2 ASP A 11 -2.322 -28.283 8.406 1.00 42.31 H new ATOM 0 HB3 ASP A 11 -3.829 -28.642 9.226 1.00 42.31 H new ATOM 181 N ASP A 12 -4.729 -25.500 9.649 1.00 41.01 N ATOM 182 CA ASP A 12 -5.677 -24.990 10.632 1.00 34.23 C ATOM 183 C ASP A 12 -6.197 -23.615 10.224 1.00 33.40 C ATOM 184 O ASP A 12 -5.475 -22.822 9.621 1.00 11.42 O ATOM 185 CB ASP A 12 -5.022 -24.912 12.012 1.00 62.10 C ATOM 186 CG ASP A 12 -5.386 -26.091 12.893 1.00 1.45 C ATOM 187 OD1 ASP A 12 -5.339 -27.237 12.400 1.00 5.34 O ATOM 188 OD2 ASP A 12 -5.719 -25.867 14.076 1.00 11.33 O ATOM 0 H ASP A 12 -3.841 -24.999 9.620 1.00 41.01 H new ATOM 0 HA ASP A 12 -6.521 -25.679 10.677 1.00 34.23 H new ATOM 0 HB2 ASP A 12 -3.939 -24.870 11.895 1.00 62.10 H new ATOM 0 HB3 ASP A 12 -5.326 -23.988 12.503 1.00 62.10 H new ATOM 193 N SER A 13 -7.455 -23.341 10.556 1.00 70.53 N ATOM 194 CA SER A 13 -8.073 -22.065 10.219 1.00 15.52 C ATOM 195 C SER A 13 -7.581 -20.960 11.150 1.00 63.35 C ATOM 196 O SER A 13 -7.116 -19.914 10.697 1.00 11.15 O ATOM 197 CB SER A 13 -9.597 -22.174 10.302 1.00 72.33 C ATOM 198 OG SER A 13 -10.215 -21.547 9.191 1.00 24.11 O ATOM 0 H SER A 13 -8.065 -23.986 11.058 1.00 70.53 H new ATOM 0 HA SER A 13 -7.788 -21.811 9.198 1.00 15.52 H new ATOM 0 HB2 SER A 13 -9.888 -23.224 10.339 1.00 72.33 H new ATOM 0 HB3 SER A 13 -9.948 -21.713 11.225 1.00 72.33 H new ATOM 0 HG SER A 13 -11.188 -21.632 9.267 1.00 24.11 H new ATOM 204 N SER A 14 -7.686 -21.202 12.452 1.00 20.13 N ATOM 205 CA SER A 14 -7.255 -20.228 13.448 1.00 50.41 C ATOM 206 C SER A 14 -5.767 -19.923 13.301 1.00 13.13 C ATOM 207 O SER A 14 -5.287 -18.885 13.759 1.00 73.23 O ATOM 208 CB SER A 14 -7.545 -20.745 14.858 1.00 63.40 C ATOM 209 OG SER A 14 -7.183 -22.110 14.985 1.00 52.25 O ATOM 0 H SER A 14 -8.066 -22.064 12.842 1.00 20.13 H new ATOM 0 HA SER A 14 -7.815 -19.307 13.285 1.00 50.41 H new ATOM 0 HB2 SER A 14 -6.995 -20.150 15.587 1.00 63.40 H new ATOM 0 HB3 SER A 14 -8.605 -20.624 15.082 1.00 63.40 H new ATOM 0 HG SER A 14 -7.376 -22.416 15.896 1.00 52.25 H new ATOM 215 N ILE A 15 -5.043 -20.835 12.661 1.00 55.43 N ATOM 216 CA ILE A 15 -3.611 -20.664 12.453 1.00 40.43 C ATOM 217 C ILE A 15 -3.333 -19.668 11.331 1.00 33.33 C ATOM 218 O ILE A 15 -2.421 -18.847 11.428 1.00 32.11 O ATOM 219 CB ILE A 15 -2.927 -22.002 12.117 1.00 72.12 C ATOM 220 CG1 ILE A 15 -2.921 -22.918 13.342 1.00 22.23 C ATOM 221 CG2 ILE A 15 -1.509 -21.763 11.620 1.00 12.43 C ATOM 222 CD1 ILE A 15 -2.222 -22.318 14.542 1.00 43.32 C ATOM 0 H ILE A 15 -5.425 -21.700 12.278 1.00 55.43 H new ATOM 0 HA ILE A 15 -3.201 -20.280 13.387 1.00 40.43 H new ATOM 0 HB ILE A 15 -3.491 -22.492 11.323 1.00 72.12 H new ATOM 0 HG12 ILE A 15 -3.950 -23.156 13.612 1.00 22.23 H new ATOM 0 HG13 ILE A 15 -2.434 -23.858 13.081 1.00 22.23 H new ATOM 0 HG21 ILE A 15 -1.039 -22.719 11.387 1.00 12.43 H new ATOM 0 HG22 ILE A 15 -1.537 -21.144 10.723 1.00 12.43 H new ATOM 0 HG23 ILE A 15 -0.933 -21.255 12.393 1.00 12.43 H new ATOM 0 HD11 ILE A 15 -2.256 -23.023 15.373 1.00 43.32 H new ATOM 0 HD12 ILE A 15 -1.183 -22.105 14.289 1.00 43.32 H new ATOM 0 HD13 ILE A 15 -2.722 -21.393 14.830 1.00 43.32 H new ATOM 234 N ARG A 16 -4.127 -19.746 10.268 1.00 31.32 N ATOM 235 CA ARG A 16 -3.967 -18.852 9.128 1.00 14.21 C ATOM 236 C ARG A 16 -4.606 -17.494 9.408 1.00 23.54 C ATOM 237 O ARG A 16 -4.230 -16.486 8.811 1.00 53.13 O ATOM 238 CB ARG A 16 -4.590 -19.471 7.876 1.00 60.34 C ATOM 239 CG ARG A 16 -6.090 -19.691 7.986 1.00 22.41 C ATOM 240 CD ARG A 16 -6.710 -19.996 6.631 1.00 4.52 C ATOM 241 NE ARG A 16 -7.722 -19.011 6.259 1.00 33.22 N ATOM 242 CZ ARG A 16 -8.673 -19.239 5.360 1.00 34.03 C ATOM 243 NH1 ARG A 16 -8.742 -20.412 4.745 1.00 4.41 N ATOM 244 NH2 ARG A 16 -9.559 -18.293 5.075 1.00 32.05 N ATOM 0 H ARG A 16 -4.887 -20.419 10.173 1.00 31.32 H new ATOM 0 HA ARG A 16 -2.900 -18.705 8.961 1.00 14.21 H new ATOM 0 HB2 ARG A 16 -4.388 -18.824 7.022 1.00 60.34 H new ATOM 0 HB3 ARG A 16 -4.105 -20.426 7.674 1.00 60.34 H new ATOM 0 HG2 ARG A 16 -6.289 -20.515 8.672 1.00 22.41 H new ATOM 0 HG3 ARG A 16 -6.559 -18.803 8.410 1.00 22.41 H new ATOM 0 HD2 ARG A 16 -5.929 -20.018 5.871 1.00 4.52 H new ATOM 0 HD3 ARG A 16 -7.161 -20.988 6.653 1.00 4.52 H new ATOM 0 HE ARG A 16 -7.697 -18.099 6.714 1.00 33.22 H new ATOM 0 HH11 ARG A 16 -8.064 -21.142 4.962 1.00 4.41 H new ATOM 0 HH12 ARG A 16 -9.473 -20.584 4.055 1.00 4.41 H new ATOM 0 HH21 ARG A 16 -9.510 -17.390 5.546 1.00 32.05 H new ATOM 0 HH22 ARG A 16 -10.289 -18.469 4.385 1.00 32.05 H new ATOM 258 N TRP A 17 -5.571 -17.478 10.320 1.00 54.12 N ATOM 259 CA TRP A 17 -6.262 -16.245 10.679 1.00 53.53 C ATOM 260 C TRP A 17 -5.295 -15.237 11.291 1.00 33.43 C ATOM 261 O TRP A 17 -5.194 -14.100 10.831 1.00 15.14 O ATOM 262 CB TRP A 17 -7.400 -16.539 11.658 1.00 25.32 C ATOM 263 CG TRP A 17 -7.881 -15.324 12.392 1.00 74.42 C ATOM 264 CD1 TRP A 17 -8.702 -14.346 11.907 1.00 32.32 C ATOM 265 CD2 TRP A 17 -7.570 -14.958 13.740 1.00 33.15 C ATOM 266 NE1 TRP A 17 -8.920 -13.394 12.874 1.00 51.05 N ATOM 267 CE2 TRP A 17 -8.238 -13.747 14.008 1.00 45.44 C ATOM 268 CE3 TRP A 17 -6.795 -15.537 14.749 1.00 51.50 C ATOM 269 CZ2 TRP A 17 -8.150 -13.105 15.240 1.00 33.33 C ATOM 270 CZ3 TRP A 17 -6.709 -14.899 15.972 1.00 52.42 C ATOM 271 CH2 TRP A 17 -7.384 -13.694 16.209 1.00 12.24 C ATOM 0 H TRP A 17 -5.893 -18.304 10.824 1.00 54.12 H new ATOM 0 HA TRP A 17 -6.679 -15.814 9.769 1.00 53.53 H new ATOM 0 HB2 TRP A 17 -8.235 -16.979 11.112 1.00 25.32 H new ATOM 0 HB3 TRP A 17 -7.065 -17.282 12.381 1.00 25.32 H new ATOM 0 HD1 TRP A 17 -9.118 -14.324 10.911 1.00 32.32 H new ATOM 0 HE1 TRP A 17 -9.496 -12.560 12.765 1.00 51.05 H new ATOM 0 HE3 TRP A 17 -6.273 -16.466 14.576 1.00 51.50 H new ATOM 0 HZ2 TRP A 17 -8.668 -12.175 15.424 1.00 33.33 H new ATOM 0 HZ3 TRP A 17 -6.112 -15.336 16.758 1.00 52.42 H new ATOM 0 HH2 TRP A 17 -7.298 -13.221 17.176 1.00 12.24 H new ATOM 282 N VAL A 18 -4.585 -15.662 12.332 1.00 72.44 N ATOM 283 CA VAL A 18 -3.625 -14.797 13.006 1.00 21.43 C ATOM 284 C VAL A 18 -2.666 -14.158 12.009 1.00 65.12 C ATOM 285 O VAL A 18 -2.232 -13.020 12.190 1.00 42.51 O ATOM 286 CB VAL A 18 -2.811 -15.575 14.058 1.00 15.11 C ATOM 287 CG1 VAL A 18 -3.739 -16.268 15.045 1.00 4.32 C ATOM 288 CG2 VAL A 18 -1.891 -16.580 13.383 1.00 70.32 C ATOM 0 H VAL A 18 -4.657 -16.600 12.726 1.00 72.44 H new ATOM 0 HA VAL A 18 -4.199 -14.016 13.505 1.00 21.43 H new ATOM 0 HB VAL A 18 -2.194 -14.867 14.611 1.00 15.11 H new ATOM 0 HG11 VAL A 18 -3.147 -16.812 15.780 1.00 4.32 H new ATOM 0 HG12 VAL A 18 -4.352 -15.523 15.552 1.00 4.32 H new ATOM 0 HG13 VAL A 18 -4.384 -16.965 14.510 1.00 4.32 H new ATOM 0 HG21 VAL A 18 -1.324 -17.120 14.141 1.00 70.32 H new ATOM 0 HG22 VAL A 18 -2.486 -17.286 12.803 1.00 70.32 H new ATOM 0 HG23 VAL A 18 -1.203 -16.055 12.720 1.00 70.32 H new ATOM 298 N LEU A 19 -2.338 -14.897 10.955 1.00 61.23 N ATOM 299 CA LEU A 19 -1.429 -14.403 9.926 1.00 14.51 C ATOM 300 C LEU A 19 -2.178 -13.564 8.895 1.00 35.04 C ATOM 301 O LEU A 19 -1.607 -12.665 8.279 1.00 21.24 O ATOM 302 CB LEU A 19 -0.725 -15.571 9.235 1.00 72.41 C ATOM 303 CG LEU A 19 0.539 -16.093 9.919 1.00 42.51 C ATOM 304 CD1 LEU A 19 0.907 -17.468 9.385 1.00 34.30 C ATOM 305 CD2 LEU A 19 1.691 -15.118 9.724 1.00 44.30 C ATOM 0 H LEU A 19 -2.688 -15.841 10.790 1.00 61.23 H new ATOM 0 HA LEU A 19 -0.683 -13.772 10.409 1.00 14.51 H new ATOM 0 HB2 LEU A 19 -1.433 -16.395 9.147 1.00 72.41 H new ATOM 0 HB3 LEU A 19 -0.465 -15.264 8.222 1.00 72.41 H new ATOM 0 HG LEU A 19 0.340 -16.182 10.987 1.00 42.51 H new ATOM 0 HD11 LEU A 19 1.809 -17.823 9.884 1.00 34.30 H new ATOM 0 HD12 LEU A 19 0.090 -18.163 9.576 1.00 34.30 H new ATOM 0 HD13 LEU A 19 1.087 -17.405 8.312 1.00 34.30 H new ATOM 0 HD21 LEU A 19 2.583 -15.505 10.217 1.00 44.30 H new ATOM 0 HD22 LEU A 19 1.889 -14.997 8.659 1.00 44.30 H new ATOM 0 HD23 LEU A 19 1.428 -14.153 10.156 1.00 44.30 H new ATOM 317 N GLU A 20 -3.461 -13.864 8.715 1.00 11.24 N ATOM 318 CA GLU A 20 -4.288 -13.136 7.760 1.00 12.11 C ATOM 319 C GLU A 20 -4.492 -11.691 8.207 1.00 62.12 C ATOM 320 O GLU A 20 -4.440 -10.766 7.396 1.00 72.43 O ATOM 321 CB GLU A 20 -5.644 -13.826 7.596 1.00 63.34 C ATOM 322 CG GLU A 20 -6.064 -14.006 6.146 1.00 5.53 C ATOM 323 CD GLU A 20 -7.130 -13.015 5.721 1.00 31.11 C ATOM 324 OE1 GLU A 20 -6.801 -11.820 5.566 1.00 71.34 O ATOM 325 OE2 GLU A 20 -8.293 -13.434 5.544 1.00 0.02 O ATOM 0 H GLU A 20 -3.949 -14.605 9.217 1.00 11.24 H new ATOM 0 HA GLU A 20 -3.771 -13.132 6.800 1.00 12.11 H new ATOM 0 HB2 GLU A 20 -5.606 -14.803 8.078 1.00 63.34 H new ATOM 0 HB3 GLU A 20 -6.404 -13.243 8.116 1.00 63.34 H new ATOM 0 HG2 GLU A 20 -5.192 -13.894 5.502 1.00 5.53 H new ATOM 0 HG3 GLU A 20 -6.438 -15.020 6.003 1.00 5.53 H new ATOM 332 N ARG A 21 -4.724 -11.506 9.502 1.00 2.52 N ATOM 333 CA ARG A 21 -4.937 -10.174 10.057 1.00 32.41 C ATOM 334 C ARG A 21 -3.678 -9.322 9.925 1.00 75.02 C ATOM 335 O ARG A 21 -3.753 -8.128 9.638 1.00 10.43 O ATOM 336 CB ARG A 21 -5.348 -10.271 11.528 1.00 71.45 C ATOM 337 CG ARG A 21 -6.694 -10.945 11.741 1.00 41.04 C ATOM 338 CD ARG A 21 -7.116 -10.896 13.201 1.00 71.43 C ATOM 339 NE ARG A 21 -6.907 -9.575 13.787 1.00 32.32 N ATOM 340 CZ ARG A 21 -5.808 -9.230 14.448 1.00 43.03 C ATOM 341 NH1 ARG A 21 -4.823 -10.103 14.605 1.00 64.55 N ATOM 342 NH2 ARG A 21 -5.692 -8.008 14.953 1.00 63.44 N ATOM 0 H ARG A 21 -4.769 -12.261 10.187 1.00 2.52 H new ATOM 0 HA ARG A 21 -5.739 -9.697 9.493 1.00 32.41 H new ATOM 0 HB2 ARG A 21 -4.584 -10.824 12.074 1.00 71.45 H new ATOM 0 HB3 ARG A 21 -5.382 -9.268 11.954 1.00 71.45 H new ATOM 0 HG2 ARG A 21 -7.449 -10.455 11.126 1.00 41.04 H new ATOM 0 HG3 ARG A 21 -6.639 -11.983 11.412 1.00 41.04 H new ATOM 0 HD2 ARG A 21 -8.169 -11.167 13.283 1.00 71.43 H new ATOM 0 HD3 ARG A 21 -6.551 -11.637 13.767 1.00 71.43 H new ATOM 0 HE ARG A 21 -7.645 -8.879 13.683 1.00 32.32 H new ATOM 0 HH11 ARG A 21 -4.908 -11.043 14.218 1.00 64.55 H new ATOM 0 HH12 ARG A 21 -3.980 -9.835 15.113 1.00 64.55 H new ATOM 0 HH21 ARG A 21 -6.447 -7.333 14.834 1.00 63.44 H new ATOM 0 HH22 ARG A 21 -4.848 -7.744 15.461 1.00 63.44 H new ATOM 356 N ALA A 22 -2.524 -9.945 10.136 1.00 4.32 N ATOM 357 CA ALA A 22 -1.249 -9.244 10.039 1.00 30.12 C ATOM 358 C ALA A 22 -1.163 -8.438 8.748 1.00 64.03 C ATOM 359 O ALA A 22 -0.814 -7.257 8.763 1.00 4.21 O ATOM 360 CB ALA A 22 -0.096 -10.233 10.125 1.00 44.42 C ATOM 0 H ALA A 22 -2.445 -10.933 10.375 1.00 4.32 H new ATOM 0 HA ALA A 22 -1.180 -8.548 10.875 1.00 30.12 H new ATOM 0 HB1 ALA A 22 0.850 -9.696 10.051 1.00 44.42 H new ATOM 0 HB2 ALA A 22 -0.140 -10.761 11.077 1.00 44.42 H new ATOM 0 HB3 ALA A 22 -0.171 -10.951 9.308 1.00 44.42 H new ATOM 366 N LEU A 23 -1.482 -9.083 7.631 1.00 44.10 N ATOM 367 CA LEU A 23 -1.439 -8.426 6.329 1.00 14.42 C ATOM 368 C LEU A 23 -2.736 -7.668 6.059 1.00 24.33 C ATOM 369 O LEU A 23 -2.722 -6.579 5.486 1.00 20.33 O ATOM 370 CB LEU A 23 -1.197 -9.455 5.224 1.00 51.11 C ATOM 371 CG LEU A 23 -0.242 -10.598 5.569 1.00 60.12 C ATOM 372 CD1 LEU A 23 -0.310 -11.688 4.511 1.00 61.14 C ATOM 373 CD2 LEU A 23 1.181 -10.079 5.712 1.00 23.00 C ATOM 0 H LEU A 23 -1.773 -10.060 7.601 1.00 44.10 H new ATOM 0 HA LEU A 23 -0.616 -7.711 6.337 1.00 14.42 H new ATOM 0 HB2 LEU A 23 -2.157 -9.884 4.938 1.00 51.11 H new ATOM 0 HB3 LEU A 23 -0.808 -8.934 4.349 1.00 51.11 H new ATOM 0 HG LEU A 23 -0.549 -11.027 6.523 1.00 60.12 H new ATOM 0 HD11 LEU A 23 0.376 -12.493 4.773 1.00 61.14 H new ATOM 0 HD12 LEU A 23 -1.326 -12.080 4.457 1.00 61.14 H new ATOM 0 HD13 LEU A 23 -0.030 -11.273 3.543 1.00 61.14 H new ATOM 0 HD21 LEU A 23 1.847 -10.906 5.958 1.00 23.00 H new ATOM 0 HD22 LEU A 23 1.498 -9.624 4.774 1.00 23.00 H new ATOM 0 HD23 LEU A 23 1.219 -9.335 6.507 1.00 23.00 H new ATOM 385 N ALA A 24 -3.854 -8.252 6.478 1.00 1.42 N ATOM 386 CA ALA A 24 -5.158 -7.630 6.286 1.00 51.14 C ATOM 387 C ALA A 24 -5.145 -6.175 6.741 1.00 53.30 C ATOM 388 O ALA A 24 -5.686 -5.299 6.068 1.00 54.42 O ATOM 389 CB ALA A 24 -6.230 -8.409 7.033 1.00 61.50 C ATOM 0 H ALA A 24 -3.883 -9.155 6.952 1.00 1.42 H new ATOM 0 HA ALA A 24 -5.388 -7.648 5.221 1.00 51.14 H new ATOM 0 HB1 ALA A 24 -7.199 -7.933 6.881 1.00 61.50 H new ATOM 0 HB2 ALA A 24 -6.265 -9.432 6.657 1.00 61.50 H new ATOM 0 HB3 ALA A 24 -5.995 -8.422 8.097 1.00 61.50 H new ATOM 395 N GLY A 25 -4.524 -5.924 7.890 1.00 70.14 N ATOM 396 CA GLY A 25 -4.453 -4.573 8.416 1.00 75.45 C ATOM 397 C GLY A 25 -3.276 -3.796 7.862 1.00 64.41 C ATOM 398 O GLY A 25 -3.223 -2.572 7.975 1.00 61.14 O ATOM 0 H GLY A 25 -4.069 -6.632 8.466 1.00 70.14 H new ATOM 0 HA2 GLY A 25 -5.377 -4.045 8.179 1.00 75.45 H new ATOM 0 HA3 GLY A 25 -4.379 -4.613 9.503 1.00 75.45 H new ATOM 402 N ALA A 26 -2.327 -4.509 7.263 1.00 32.42 N ATOM 403 CA ALA A 26 -1.145 -3.879 6.690 1.00 44.11 C ATOM 404 C ALA A 26 -1.340 -3.594 5.205 1.00 51.33 C ATOM 405 O ALA A 26 -2.375 -3.927 4.630 1.00 71.35 O ATOM 406 CB ALA A 26 0.078 -4.758 6.904 1.00 65.21 C ATOM 0 H ALA A 26 -2.355 -5.524 7.162 1.00 32.42 H new ATOM 0 HA ALA A 26 -0.989 -2.928 7.198 1.00 44.11 H new ATOM 0 HB1 ALA A 26 0.954 -4.275 6.471 1.00 65.21 H new ATOM 0 HB2 ALA A 26 0.237 -4.907 7.972 1.00 65.21 H new ATOM 0 HB3 ALA A 26 -0.079 -5.723 6.423 1.00 65.21 H new ATOM 412 N GLY A 27 -0.338 -2.973 4.589 1.00 72.11 N ATOM 413 CA GLY A 27 -0.421 -2.653 3.176 1.00 44.31 C ATOM 414 C GLY A 27 0.153 -3.748 2.299 1.00 42.43 C ATOM 415 O GLY A 27 0.830 -3.469 1.308 1.00 24.12 O ATOM 0 H GLY A 27 0.529 -2.686 5.043 1.00 72.11 H new ATOM 0 HA2 GLY A 27 -1.463 -2.484 2.906 1.00 44.31 H new ATOM 0 HA3 GLY A 27 0.113 -1.722 2.985 1.00 44.31 H new ATOM 419 N LEU A 28 -0.116 -4.997 2.662 1.00 4.45 N ATOM 420 CA LEU A 28 0.380 -6.139 1.902 1.00 2.40 C ATOM 421 C LEU A 28 -0.721 -7.174 1.694 1.00 5.13 C ATOM 422 O LEU A 28 -1.486 -7.476 2.611 1.00 43.31 O ATOM 423 CB LEU A 28 1.569 -6.778 2.622 1.00 73.51 C ATOM 424 CG LEU A 28 2.097 -6.026 3.844 1.00 64.52 C ATOM 425 CD1 LEU A 28 2.999 -6.926 4.675 1.00 0.21 C ATOM 426 CD2 LEU A 28 2.842 -4.770 3.416 1.00 61.31 C ATOM 0 H LEU A 28 -0.675 -5.245 3.478 1.00 4.45 H new ATOM 0 HA LEU A 28 0.705 -5.781 0.925 1.00 2.40 H new ATOM 0 HB2 LEU A 28 1.282 -7.782 2.934 1.00 73.51 H new ATOM 0 HB3 LEU A 28 2.385 -6.887 1.907 1.00 73.51 H new ATOM 0 HG LEU A 28 1.248 -5.729 4.459 1.00 64.52 H new ATOM 0 HD11 LEU A 28 3.366 -6.374 5.541 1.00 0.21 H new ATOM 0 HD12 LEU A 28 2.435 -7.796 5.011 1.00 0.21 H new ATOM 0 HD13 LEU A 28 3.844 -7.254 4.069 1.00 0.21 H new ATOM 0 HD21 LEU A 28 3.211 -4.247 4.298 1.00 61.31 H new ATOM 0 HD22 LEU A 28 3.683 -5.045 2.779 1.00 61.31 H new ATOM 0 HD23 LEU A 28 2.167 -4.117 2.863 1.00 61.31 H new ATOM 438 N THR A 29 -0.794 -7.717 0.483 1.00 21.32 N ATOM 439 CA THR A 29 -1.800 -8.720 0.155 1.00 43.41 C ATOM 440 C THR A 29 -1.798 -9.854 1.173 1.00 13.02 C ATOM 441 O THR A 29 -0.814 -10.061 1.884 1.00 32.41 O ATOM 442 CB THR A 29 -1.570 -9.306 -1.251 1.00 32.43 C ATOM 443 OG1 THR A 29 -1.288 -8.255 -2.180 1.00 44.35 O ATOM 444 CG2 THR A 29 -2.789 -10.088 -1.717 1.00 14.15 C ATOM 0 H THR A 29 -0.169 -7.479 -0.287 1.00 21.32 H new ATOM 0 HA THR A 29 -2.767 -8.218 0.178 1.00 43.41 H new ATOM 0 HB THR A 29 -0.719 -9.985 -1.203 1.00 32.43 H new ATOM 0 HG1 THR A 29 -1.268 -8.619 -3.090 1.00 44.35 H new ATOM 0 HG21 THR A 29 -2.603 -10.492 -2.712 1.00 14.15 H new ATOM 0 HG22 THR A 29 -2.983 -10.906 -1.023 1.00 14.15 H new ATOM 0 HG23 THR A 29 -3.655 -9.427 -1.750 1.00 14.15 H new ATOM 452 N CYS A 30 -2.905 -10.586 1.238 1.00 11.41 N ATOM 453 CA CYS A 30 -3.031 -11.700 2.171 1.00 73.14 C ATOM 454 C CYS A 30 -3.696 -12.898 1.500 1.00 53.42 C ATOM 455 O CYS A 30 -4.879 -12.855 1.160 1.00 72.45 O ATOM 456 CB CYS A 30 -3.837 -11.276 3.399 1.00 13.31 C ATOM 457 SG CYS A 30 -4.405 -9.560 3.352 1.00 14.24 S ATOM 0 H CYS A 30 -3.728 -10.428 0.656 1.00 11.41 H new ATOM 0 HA CYS A 30 -2.029 -11.992 2.487 1.00 73.14 H new ATOM 0 HB2 CYS A 30 -4.702 -11.931 3.496 1.00 13.31 H new ATOM 0 HB3 CYS A 30 -3.225 -11.421 4.290 1.00 13.31 H new ATOM 0 HG CYS A 30 -3.396 -8.775 3.114 1.00 14.24 H new ATOM 463 N THR A 31 -2.928 -13.966 1.310 1.00 3.34 N ATOM 464 CA THR A 31 -3.441 -15.174 0.678 1.00 62.14 C ATOM 465 C THR A 31 -3.188 -16.400 1.548 1.00 70.15 C ATOM 466 O THR A 31 -2.045 -16.822 1.729 1.00 51.45 O ATOM 467 CB THR A 31 -2.801 -15.399 -0.705 1.00 61.23 C ATOM 468 OG1 THR A 31 -2.752 -14.165 -1.429 1.00 43.32 O ATOM 469 CG2 THR A 31 -3.585 -16.430 -1.503 1.00 53.23 C ATOM 0 H THR A 31 -1.947 -14.018 1.585 1.00 3.34 H new ATOM 0 HA THR A 31 -4.515 -15.035 0.555 1.00 62.14 H new ATOM 0 HB THR A 31 -1.788 -15.772 -0.555 1.00 61.23 H new ATOM 0 HG1 THR A 31 -1.834 -13.998 -1.728 1.00 43.32 H new ATOM 0 HG21 THR A 31 -3.114 -16.572 -2.476 1.00 53.23 H new ATOM 0 HG22 THR A 31 -3.595 -17.377 -0.963 1.00 53.23 H new ATOM 0 HG23 THR A 31 -4.608 -16.081 -1.643 1.00 53.23 H new ATOM 477 N THR A 32 -4.262 -16.971 2.085 1.00 50.33 N ATOM 478 CA THR A 32 -4.156 -18.149 2.936 1.00 14.44 C ATOM 479 C THR A 32 -4.604 -19.404 2.196 1.00 2.04 C ATOM 480 O THR A 32 -5.688 -19.440 1.614 1.00 30.42 O ATOM 481 CB THR A 32 -4.999 -17.994 4.217 1.00 43.53 C ATOM 482 OG1 THR A 32 -6.387 -18.170 3.914 1.00 11.01 O ATOM 483 CG2 THR A 32 -4.781 -16.625 4.845 1.00 33.30 C ATOM 0 H THR A 32 -5.215 -16.636 1.945 1.00 50.33 H new ATOM 0 HA THR A 32 -3.106 -18.247 3.210 1.00 14.44 H new ATOM 0 HB THR A 32 -4.684 -18.757 4.928 1.00 43.53 H new ATOM 0 HG1 THR A 32 -6.480 -18.555 3.017 1.00 11.01 H new ATOM 0 HG21 THR A 32 -5.386 -16.538 5.748 1.00 33.30 H new ATOM 0 HG22 THR A 32 -3.728 -16.506 5.101 1.00 33.30 H new ATOM 0 HG23 THR A 32 -5.072 -15.849 4.137 1.00 33.30 H new ATOM 491 N PHE A 33 -3.763 -20.432 2.223 1.00 25.41 N ATOM 492 CA PHE A 33 -4.072 -21.691 1.554 1.00 42.40 C ATOM 493 C PHE A 33 -4.284 -22.809 2.570 1.00 14.00 C ATOM 494 O PHE A 33 -4.311 -22.568 3.776 1.00 23.14 O ATOM 495 CB PHE A 33 -2.946 -22.070 0.589 1.00 13.23 C ATOM 496 CG PHE A 33 -2.760 -21.086 -0.530 1.00 65.23 C ATOM 497 CD1 PHE A 33 -1.959 -19.968 -0.361 1.00 41.03 C ATOM 498 CD2 PHE A 33 -3.384 -21.280 -1.752 1.00 30.02 C ATOM 499 CE1 PHE A 33 -1.786 -19.061 -1.390 1.00 32.03 C ATOM 500 CE2 PHE A 33 -3.215 -20.377 -2.784 1.00 44.41 C ATOM 501 CZ PHE A 33 -2.414 -19.266 -2.603 1.00 23.10 C ATOM 0 H PHE A 33 -2.862 -20.419 2.701 1.00 25.41 H new ATOM 0 HA PHE A 33 -4.995 -21.557 0.990 1.00 42.40 H new ATOM 0 HB2 PHE A 33 -2.013 -22.155 1.147 1.00 13.23 H new ATOM 0 HB3 PHE A 33 -3.155 -23.053 0.167 1.00 13.23 H new ATOM 0 HD1 PHE A 33 -1.464 -19.803 0.585 1.00 41.03 H new ATOM 0 HD2 PHE A 33 -4.010 -22.148 -1.899 1.00 30.02 H new ATOM 0 HE1 PHE A 33 -1.160 -18.193 -1.245 1.00 32.03 H new ATOM 0 HE2 PHE A 33 -3.708 -20.539 -3.731 1.00 44.41 H new ATOM 0 HZ PHE A 33 -2.279 -18.559 -3.408 1.00 23.10 H new ATOM 511 N GLU A 34 -4.436 -24.032 2.072 1.00 72.11 N ATOM 512 CA GLU A 34 -4.648 -25.187 2.936 1.00 31.31 C ATOM 513 C GLU A 34 -3.623 -26.280 2.645 1.00 52.21 C ATOM 514 O GLU A 34 -3.115 -26.928 3.559 1.00 72.24 O ATOM 515 CB GLU A 34 -6.064 -25.738 2.751 1.00 65.13 C ATOM 516 CG GLU A 34 -6.357 -26.197 1.332 1.00 13.42 C ATOM 517 CD GLU A 34 -7.843 -26.281 1.042 1.00 14.53 C ATOM 518 OE1 GLU A 34 -8.622 -25.589 1.732 1.00 43.32 O ATOM 519 OE2 GLU A 34 -8.228 -27.038 0.127 1.00 40.52 O ATOM 0 H GLU A 34 -4.416 -24.248 1.075 1.00 72.11 H new ATOM 0 HA GLU A 34 -4.524 -24.863 3.969 1.00 31.31 H new ATOM 0 HB2 GLU A 34 -6.211 -26.576 3.433 1.00 65.13 H new ATOM 0 HB3 GLU A 34 -6.784 -24.969 3.031 1.00 65.13 H new ATOM 0 HG2 GLU A 34 -5.891 -25.508 0.628 1.00 13.42 H new ATOM 0 HG3 GLU A 34 -5.903 -27.174 1.169 1.00 13.42 H new ATOM 526 N ASN A 35 -3.325 -26.478 1.365 1.00 54.42 N ATOM 527 CA ASN A 35 -2.362 -27.492 0.952 1.00 34.10 C ATOM 528 C ASN A 35 -1.196 -26.860 0.198 1.00 31.33 C ATOM 529 O ASN A 35 -1.391 -26.164 -0.797 1.00 62.11 O ATOM 530 CB ASN A 35 -3.043 -28.543 0.073 1.00 62.31 C ATOM 531 CG ASN A 35 -3.212 -29.871 0.785 1.00 21.34 C ATOM 532 OD1 ASN A 35 -2.413 -30.230 1.651 1.00 73.11 O ATOM 533 ND2 ASN A 35 -4.256 -30.608 0.423 1.00 24.22 N ATOM 0 H ASN A 35 -3.737 -25.949 0.596 1.00 54.42 H new ATOM 0 HA ASN A 35 -1.973 -27.974 1.848 1.00 34.10 H new ATOM 0 HB2 ASN A 35 -4.020 -28.174 -0.239 1.00 62.31 H new ATOM 0 HB3 ASN A 35 -2.455 -28.692 -0.833 1.00 62.31 H new ATOM 0 HD21 ASN A 35 -4.421 -31.511 0.867 1.00 24.22 H new ATOM 0 HD22 ASN A 35 -4.892 -30.271 -0.299 1.00 24.22 H new ATOM 540 N GLY A 36 0.018 -27.109 0.681 1.00 72.23 N ATOM 541 CA GLY A 36 1.198 -26.558 0.040 1.00 32.14 C ATOM 542 C GLY A 36 1.243 -26.854 -1.446 1.00 13.04 C ATOM 543 O GLY A 36 1.705 -26.032 -2.235 1.00 43.30 O ATOM 0 H GLY A 36 0.205 -27.682 1.504 1.00 72.23 H new ATOM 0 HA2 GLY A 36 1.220 -25.479 0.193 1.00 32.14 H new ATOM 0 HA3 GLY A 36 2.090 -26.966 0.516 1.00 32.14 H new ATOM 547 N ASN A 37 0.762 -28.033 -1.827 1.00 41.25 N ATOM 548 CA ASN A 37 0.751 -28.436 -3.229 1.00 25.10 C ATOM 549 C ASN A 37 -0.015 -27.428 -4.079 1.00 41.35 C ATOM 550 O ASN A 37 0.222 -27.308 -5.281 1.00 4.41 O ATOM 551 CB ASN A 37 0.126 -29.825 -3.377 1.00 1.41 C ATOM 552 CG ASN A 37 0.442 -30.461 -4.717 1.00 30.34 C ATOM 553 OD1 ASN A 37 1.582 -30.428 -5.179 1.00 5.41 O ATOM 554 ND2 ASN A 37 -0.570 -31.046 -5.347 1.00 52.41 N ATOM 0 H ASN A 37 0.375 -28.725 -1.186 1.00 41.25 H new ATOM 0 HA ASN A 37 1.783 -28.470 -3.580 1.00 25.10 H new ATOM 0 HB2 ASN A 37 0.488 -30.471 -2.577 1.00 1.41 H new ATOM 0 HB3 ASN A 37 -0.955 -29.748 -3.260 1.00 1.41 H new ATOM 0 HD21 ASN A 37 -0.418 -31.492 -6.252 1.00 52.41 H new ATOM 0 HD22 ASN A 37 -1.499 -31.049 -4.926 1.00 52.41 H new ATOM 561 N GLU A 38 -0.934 -26.705 -3.447 1.00 20.24 N ATOM 562 CA GLU A 38 -1.735 -25.707 -4.146 1.00 20.41 C ATOM 563 C GLU A 38 -1.051 -24.343 -4.117 1.00 73.42 C ATOM 564 O GLU A 38 -1.425 -23.433 -4.857 1.00 61.44 O ATOM 565 CB GLU A 38 -3.126 -25.606 -3.517 1.00 73.02 C ATOM 566 CG GLU A 38 -3.650 -26.928 -2.981 1.00 3.10 C ATOM 567 CD GLU A 38 -5.140 -27.097 -3.201 1.00 34.43 C ATOM 568 OE1 GLU A 38 -5.536 -27.459 -4.329 1.00 2.21 O ATOM 569 OE2 GLU A 38 -5.911 -26.869 -2.245 1.00 53.54 O ATOM 0 H GLU A 38 -1.142 -26.792 -2.452 1.00 20.24 H new ATOM 0 HA GLU A 38 -1.836 -26.021 -5.185 1.00 20.41 H new ATOM 0 HB2 GLU A 38 -3.096 -24.880 -2.704 1.00 73.02 H new ATOM 0 HB3 GLU A 38 -3.825 -25.223 -4.261 1.00 73.02 H new ATOM 0 HG2 GLU A 38 -3.120 -27.748 -3.465 1.00 3.10 H new ATOM 0 HG3 GLU A 38 -3.434 -26.995 -1.915 1.00 3.10 H new ATOM 576 N VAL A 39 -0.047 -24.209 -3.256 1.00 75.12 N ATOM 577 CA VAL A 39 0.689 -22.957 -3.130 1.00 65.43 C ATOM 578 C VAL A 39 1.844 -22.897 -4.124 1.00 24.24 C ATOM 579 O VAL A 39 2.096 -21.860 -4.738 1.00 3.43 O ATOM 580 CB VAL A 39 1.243 -22.773 -1.705 1.00 13.23 C ATOM 581 CG1 VAL A 39 1.665 -21.329 -1.479 1.00 22.25 C ATOM 582 CG2 VAL A 39 0.211 -23.203 -0.673 1.00 54.23 C ATOM 0 H VAL A 39 0.275 -24.952 -2.636 1.00 75.12 H new ATOM 0 HA VAL A 39 -0.014 -22.153 -3.345 1.00 65.43 H new ATOM 0 HB VAL A 39 2.123 -23.406 -1.591 1.00 13.23 H new ATOM 0 HG11 VAL A 39 2.054 -21.218 -0.467 1.00 22.25 H new ATOM 0 HG12 VAL A 39 2.440 -21.060 -2.197 1.00 22.25 H new ATOM 0 HG13 VAL A 39 0.804 -20.673 -1.611 1.00 22.25 H new ATOM 0 HG21 VAL A 39 0.619 -23.066 0.328 1.00 54.23 H new ATOM 0 HG22 VAL A 39 -0.689 -22.598 -0.784 1.00 54.23 H new ATOM 0 HG23 VAL A 39 -0.038 -24.254 -0.823 1.00 54.23 H new ATOM 592 N LEU A 40 2.544 -24.016 -4.278 1.00 34.13 N ATOM 593 CA LEU A 40 3.673 -24.092 -5.198 1.00 1.11 C ATOM 594 C LEU A 40 3.287 -23.571 -6.578 1.00 75.15 C ATOM 595 O LEU A 40 4.043 -22.832 -7.208 1.00 71.31 O ATOM 596 CB LEU A 40 4.173 -25.534 -5.306 1.00 14.34 C ATOM 597 CG LEU A 40 4.806 -25.927 -6.641 1.00 2.43 C ATOM 598 CD1 LEU A 40 5.956 -24.992 -6.981 1.00 42.54 C ATOM 599 CD2 LEU A 40 5.285 -27.371 -6.600 1.00 13.55 C ATOM 0 H LEU A 40 2.349 -24.883 -3.777 1.00 34.13 H new ATOM 0 HA LEU A 40 4.473 -23.465 -4.804 1.00 1.11 H new ATOM 0 HB2 LEU A 40 4.905 -25.704 -4.516 1.00 14.34 H new ATOM 0 HB3 LEU A 40 3.335 -26.203 -5.113 1.00 14.34 H new ATOM 0 HG LEU A 40 4.049 -25.838 -7.420 1.00 2.43 H new ATOM 0 HD11 LEU A 40 6.395 -25.287 -7.934 1.00 42.54 H new ATOM 0 HD12 LEU A 40 5.585 -23.970 -7.053 1.00 42.54 H new ATOM 0 HD13 LEU A 40 6.714 -25.049 -6.200 1.00 42.54 H new ATOM 0 HD21 LEU A 40 5.733 -27.633 -7.559 1.00 13.55 H new ATOM 0 HD22 LEU A 40 6.027 -27.486 -5.810 1.00 13.55 H new ATOM 0 HD23 LEU A 40 4.439 -28.029 -6.402 1.00 13.55 H new ATOM 611 N ALA A 41 2.103 -23.960 -7.042 1.00 2.01 N ATOM 612 CA ALA A 41 1.614 -23.529 -8.346 1.00 3.03 C ATOM 613 C ALA A 41 1.176 -22.069 -8.312 1.00 42.34 C ATOM 614 O ALA A 41 1.200 -21.380 -9.332 1.00 64.31 O ATOM 615 CB ALA A 41 0.464 -24.417 -8.798 1.00 45.21 C ATOM 0 H ALA A 41 1.465 -24.573 -6.534 1.00 2.01 H new ATOM 0 HA ALA A 41 2.431 -23.619 -9.062 1.00 3.03 H new ATOM 0 HB1 ALA A 41 0.109 -24.084 -9.773 1.00 45.21 H new ATOM 0 HB2 ALA A 41 0.808 -25.449 -8.870 1.00 45.21 H new ATOM 0 HB3 ALA A 41 -0.349 -24.355 -8.075 1.00 45.21 H new ATOM 621 N ALA A 42 0.775 -21.603 -7.134 1.00 44.31 N ATOM 622 CA ALA A 42 0.333 -20.224 -6.968 1.00 40.23 C ATOM 623 C ALA A 42 1.446 -19.244 -7.324 1.00 11.21 C ATOM 624 O ALA A 42 1.195 -18.188 -7.906 1.00 53.31 O ATOM 625 CB ALA A 42 -0.143 -19.990 -5.542 1.00 70.12 C ATOM 0 H ALA A 42 0.747 -22.160 -6.280 1.00 44.31 H new ATOM 0 HA ALA A 42 -0.500 -20.051 -7.650 1.00 40.23 H new ATOM 0 HB1 ALA A 42 -0.470 -18.956 -5.433 1.00 70.12 H new ATOM 0 HB2 ALA A 42 -0.975 -20.659 -5.322 1.00 70.12 H new ATOM 0 HB3 ALA A 42 0.675 -20.187 -4.849 1.00 70.12 H new ATOM 631 N LEU A 43 2.676 -19.599 -6.970 1.00 20.11 N ATOM 632 CA LEU A 43 3.828 -18.750 -7.251 1.00 65.03 C ATOM 633 C LEU A 43 3.950 -18.475 -8.747 1.00 22.23 C ATOM 634 O LEU A 43 4.323 -17.377 -9.158 1.00 4.14 O ATOM 635 CB LEU A 43 5.110 -19.408 -6.736 1.00 74.22 C ATOM 636 CG LEU A 43 4.990 -20.165 -5.413 1.00 60.30 C ATOM 637 CD1 LEU A 43 6.367 -20.525 -4.878 1.00 22.33 C ATOM 638 CD2 LEU A 43 4.219 -19.339 -4.394 1.00 33.51 C ATOM 0 H LEU A 43 2.901 -20.469 -6.488 1.00 20.11 H new ATOM 0 HA LEU A 43 3.682 -17.800 -6.736 1.00 65.03 H new ATOM 0 HB2 LEU A 43 5.470 -20.101 -7.497 1.00 74.22 H new ATOM 0 HB3 LEU A 43 5.871 -18.636 -6.622 1.00 74.22 H new ATOM 0 HG LEU A 43 4.440 -21.089 -5.593 1.00 60.30 H new ATOM 0 HD11 LEU A 43 6.262 -21.063 -3.936 1.00 22.33 H new ATOM 0 HD12 LEU A 43 6.885 -21.156 -5.601 1.00 22.33 H new ATOM 0 HD13 LEU A 43 6.943 -19.614 -4.713 1.00 22.33 H new ATOM 0 HD21 LEU A 43 4.143 -19.893 -3.459 1.00 33.51 H new ATOM 0 HD22 LEU A 43 4.742 -18.399 -4.217 1.00 33.51 H new ATOM 0 HD23 LEU A 43 3.219 -19.132 -4.775 1.00 33.51 H new ATOM 650 N ALA A 44 3.631 -19.480 -9.556 1.00 33.03 N ATOM 651 CA ALA A 44 3.700 -19.345 -11.005 1.00 61.34 C ATOM 652 C ALA A 44 2.686 -18.325 -11.511 1.00 71.11 C ATOM 653 O ALA A 44 2.733 -17.911 -12.669 1.00 55.13 O ATOM 654 CB ALA A 44 3.473 -20.694 -11.672 1.00 54.12 C ATOM 0 H ALA A 44 3.322 -20.397 -9.232 1.00 33.03 H new ATOM 0 HA ALA A 44 4.696 -18.987 -11.264 1.00 61.34 H new ATOM 0 HB1 ALA A 44 3.527 -20.578 -12.754 1.00 54.12 H new ATOM 0 HB2 ALA A 44 4.239 -21.396 -11.343 1.00 54.12 H new ATOM 0 HB3 ALA A 44 2.490 -21.075 -11.397 1.00 54.12 H new ATOM 660 N SER A 45 1.770 -17.924 -10.636 1.00 35.44 N ATOM 661 CA SER A 45 0.741 -16.956 -10.995 1.00 53.43 C ATOM 662 C SER A 45 1.312 -15.541 -11.024 1.00 64.53 C ATOM 663 O SER A 45 1.478 -14.948 -12.090 1.00 4.41 O ATOM 664 CB SER A 45 -0.425 -17.027 -10.006 1.00 44.35 C ATOM 665 OG SER A 45 -0.901 -18.355 -9.874 1.00 41.32 O ATOM 0 H SER A 45 1.719 -18.255 -9.672 1.00 35.44 H new ATOM 0 HA SER A 45 0.378 -17.203 -11.992 1.00 53.43 H new ATOM 0 HB2 SER A 45 -0.104 -16.654 -9.033 1.00 44.35 H new ATOM 0 HB3 SER A 45 -1.234 -16.379 -10.345 1.00 44.35 H new ATOM 0 HG SER A 45 -1.644 -18.374 -9.236 1.00 41.32 H new ATOM 671 N LYS A 46 1.612 -15.007 -9.845 1.00 61.03 N ATOM 672 CA LYS A 46 2.167 -13.663 -9.733 1.00 34.35 C ATOM 673 C LYS A 46 3.491 -13.683 -8.977 1.00 4.03 C ATOM 674 O LYS A 46 4.215 -12.687 -8.944 1.00 61.04 O ATOM 675 CB LYS A 46 1.176 -12.738 -9.022 1.00 73.41 C ATOM 676 CG LYS A 46 0.682 -13.282 -7.692 1.00 61.05 C ATOM 677 CD LYS A 46 -0.619 -12.621 -7.268 1.00 25.00 C ATOM 678 CE LYS A 46 -0.408 -11.159 -6.906 1.00 54.32 C ATOM 679 NZ LYS A 46 -0.978 -10.245 -7.935 1.00 73.30 N ATOM 0 H LYS A 46 1.480 -15.484 -8.953 1.00 61.03 H new ATOM 0 HA LYS A 46 2.349 -13.287 -10.740 1.00 34.35 H new ATOM 0 HB2 LYS A 46 1.650 -11.771 -8.856 1.00 73.41 H new ATOM 0 HB3 LYS A 46 0.320 -12.566 -9.675 1.00 73.41 H new ATOM 0 HG2 LYS A 46 0.535 -14.359 -7.770 1.00 61.05 H new ATOM 0 HG3 LYS A 46 1.441 -13.119 -6.927 1.00 61.05 H new ATOM 0 HD2 LYS A 46 -1.347 -12.696 -8.076 1.00 25.00 H new ATOM 0 HD3 LYS A 46 -1.037 -13.152 -6.413 1.00 25.00 H new ATOM 0 HE2 LYS A 46 -0.871 -10.953 -5.941 1.00 54.32 H new ATOM 0 HE3 LYS A 46 0.658 -10.962 -6.796 1.00 54.32 H new ATOM 0 HZ1 LYS A 46 -0.814 -9.258 -7.652 1.00 73.30 H new ATOM 0 HZ2 LYS A 46 -0.518 -10.423 -8.851 1.00 73.30 H new ATOM 0 HZ3 LYS A 46 -2.000 -10.415 -8.022 1.00 73.30 H new ATOM 693 N THR A 47 3.805 -14.824 -8.370 1.00 53.22 N ATOM 694 CA THR A 47 5.042 -14.973 -7.615 1.00 64.22 C ATOM 695 C THR A 47 5.120 -13.958 -6.481 1.00 5.21 C ATOM 696 O THR A 47 5.385 -12.774 -6.692 1.00 55.03 O ATOM 697 CB THR A 47 6.277 -14.809 -8.522 1.00 32.01 C ATOM 698 OG1 THR A 47 5.870 -14.713 -9.891 1.00 75.34 O ATOM 699 CG2 THR A 47 7.232 -15.981 -8.352 1.00 43.54 C ATOM 0 H THR A 47 3.219 -15.658 -8.387 1.00 53.22 H new ATOM 0 HA THR A 47 5.038 -15.980 -7.198 1.00 64.22 H new ATOM 0 HB THR A 47 6.794 -13.894 -8.233 1.00 32.01 H new ATOM 0 HG1 THR A 47 6.660 -14.607 -10.461 1.00 75.34 H new ATOM 0 HG21 THR A 47 8.096 -15.843 -9.002 1.00 43.54 H new ATOM 0 HG22 THR A 47 7.563 -16.033 -7.315 1.00 43.54 H new ATOM 0 HG23 THR A 47 6.722 -16.907 -8.617 1.00 43.54 H new ATOM 707 N PRO A 48 4.886 -14.429 -5.247 1.00 45.30 N ATOM 708 CA PRO A 48 4.926 -13.578 -4.054 1.00 41.52 C ATOM 709 C PRO A 48 6.340 -13.118 -3.717 1.00 3.13 C ATOM 710 O PRO A 48 7.294 -13.444 -4.423 1.00 24.40 O ATOM 711 CB PRO A 48 4.382 -14.488 -2.950 1.00 40.05 C ATOM 712 CG PRO A 48 4.674 -15.871 -3.422 1.00 12.30 C ATOM 713 CD PRO A 48 4.566 -15.828 -4.921 1.00 72.52 C ATOM 0 HA PRO A 48 4.354 -12.660 -4.189 1.00 41.52 H new ATOM 0 HB2 PRO A 48 4.866 -14.285 -1.995 1.00 40.05 H new ATOM 0 HB3 PRO A 48 3.312 -14.337 -2.803 1.00 40.05 H new ATOM 0 HG2 PRO A 48 5.670 -16.187 -3.111 1.00 12.30 H new ATOM 0 HG3 PRO A 48 3.967 -16.585 -3.000 1.00 12.30 H new ATOM 0 HD2 PRO A 48 5.263 -16.520 -5.394 1.00 72.52 H new ATOM 0 HD3 PRO A 48 3.567 -16.101 -5.260 1.00 72.52 H new ATOM 721 N ASP A 49 6.468 -12.360 -2.634 1.00 2.54 N ATOM 722 CA ASP A 49 7.767 -11.856 -2.202 1.00 31.35 C ATOM 723 C ASP A 49 8.239 -12.579 -0.944 1.00 60.50 C ATOM 724 O ASP A 49 9.393 -12.449 -0.537 1.00 25.33 O ATOM 725 CB ASP A 49 7.694 -10.351 -1.942 1.00 13.20 C ATOM 726 CG ASP A 49 8.952 -9.626 -2.377 1.00 64.41 C ATOM 727 OD1 ASP A 49 10.057 -10.132 -2.090 1.00 21.34 O ATOM 728 OD2 ASP A 49 8.833 -8.553 -3.004 1.00 52.14 O ATOM 0 H ASP A 49 5.688 -12.081 -2.039 1.00 2.54 H new ATOM 0 HA ASP A 49 8.485 -12.044 -3.000 1.00 31.35 H new ATOM 0 HB2 ASP A 49 6.837 -9.935 -2.472 1.00 13.20 H new ATOM 0 HB3 ASP A 49 7.527 -10.177 -0.879 1.00 13.20 H new ATOM 733 N VAL A 50 7.338 -13.341 -0.332 1.00 71.41 N ATOM 734 CA VAL A 50 7.662 -14.085 0.879 1.00 32.42 C ATOM 735 C VAL A 50 6.490 -14.955 1.320 1.00 71.33 C ATOM 736 O VAL A 50 5.328 -14.582 1.152 1.00 30.24 O ATOM 737 CB VAL A 50 8.047 -13.140 2.032 1.00 22.04 C ATOM 738 CG1 VAL A 50 6.855 -12.291 2.448 1.00 23.44 C ATOM 739 CG2 VAL A 50 8.586 -13.933 3.214 1.00 73.14 C ATOM 0 H VAL A 50 6.378 -13.459 -0.655 1.00 71.41 H new ATOM 0 HA VAL A 50 8.514 -14.722 0.641 1.00 32.42 H new ATOM 0 HB VAL A 50 8.834 -12.472 1.683 1.00 22.04 H new ATOM 0 HG11 VAL A 50 7.146 -11.630 3.264 1.00 23.44 H new ATOM 0 HG12 VAL A 50 6.519 -11.695 1.600 1.00 23.44 H new ATOM 0 HG13 VAL A 50 6.044 -12.940 2.779 1.00 23.44 H new ATOM 0 HG21 VAL A 50 8.853 -13.249 4.020 1.00 73.14 H new ATOM 0 HG22 VAL A 50 7.822 -14.627 3.565 1.00 73.14 H new ATOM 0 HG23 VAL A 50 9.469 -14.492 2.905 1.00 73.14 H new ATOM 749 N LEU A 51 6.802 -16.117 1.884 1.00 12.31 N ATOM 750 CA LEU A 51 5.774 -17.041 2.350 1.00 22.33 C ATOM 751 C LEU A 51 6.098 -17.554 3.750 1.00 73.31 C ATOM 752 O LEU A 51 7.228 -17.427 4.224 1.00 54.13 O ATOM 753 CB LEU A 51 5.641 -18.218 1.382 1.00 43.34 C ATOM 754 CG LEU A 51 4.219 -18.572 0.947 1.00 13.10 C ATOM 755 CD1 LEU A 51 4.164 -18.817 -0.553 1.00 23.32 C ATOM 756 CD2 LEU A 51 3.717 -19.791 1.707 1.00 13.33 C ATOM 0 H LEU A 51 7.758 -16.441 2.030 1.00 12.31 H new ATOM 0 HA LEU A 51 4.827 -16.502 2.390 1.00 22.33 H new ATOM 0 HB2 LEU A 51 6.228 -17.997 0.490 1.00 43.34 H new ATOM 0 HB3 LEU A 51 6.087 -19.097 1.847 1.00 43.34 H new ATOM 0 HG LEU A 51 3.568 -17.729 1.180 1.00 13.10 H new ATOM 0 HD11 LEU A 51 3.144 -19.068 -0.844 1.00 23.32 H new ATOM 0 HD12 LEU A 51 4.481 -17.917 -1.080 1.00 23.32 H new ATOM 0 HD13 LEU A 51 4.828 -19.642 -0.812 1.00 23.32 H new ATOM 0 HD21 LEU A 51 2.703 -20.029 1.385 1.00 13.33 H new ATOM 0 HD22 LEU A 51 4.370 -20.640 1.505 1.00 13.33 H new ATOM 0 HD23 LEU A 51 3.717 -19.579 2.776 1.00 13.33 H new ATOM 768 N LEU A 52 5.100 -18.136 4.406 1.00 21.32 N ATOM 769 CA LEU A 52 5.279 -18.671 5.751 1.00 35.55 C ATOM 770 C LEU A 52 4.596 -20.028 5.893 1.00 54.01 C ATOM 771 O LEU A 52 3.525 -20.136 6.491 1.00 2.11 O ATOM 772 CB LEU A 52 4.719 -17.696 6.788 1.00 2.42 C ATOM 773 CG LEU A 52 4.871 -16.210 6.462 1.00 43.53 C ATOM 774 CD1 LEU A 52 3.701 -15.726 5.619 1.00 3.43 C ATOM 775 CD2 LEU A 52 4.985 -15.392 7.740 1.00 50.41 C ATOM 0 H LEU A 52 4.159 -18.249 4.029 1.00 21.32 H new ATOM 0 HA LEU A 52 6.347 -18.802 5.923 1.00 35.55 H new ATOM 0 HB2 LEU A 52 3.659 -17.911 6.925 1.00 2.42 H new ATOM 0 HB3 LEU A 52 5.209 -17.890 7.742 1.00 2.42 H new ATOM 0 HG LEU A 52 5.787 -16.076 5.886 1.00 43.53 H new ATOM 0 HD11 LEU A 52 3.826 -14.666 5.397 1.00 3.43 H new ATOM 0 HD12 LEU A 52 3.666 -16.290 4.687 1.00 3.43 H new ATOM 0 HD13 LEU A 52 2.771 -15.874 6.168 1.00 3.43 H new ATOM 0 HD21 LEU A 52 5.093 -14.337 7.488 1.00 50.41 H new ATOM 0 HD22 LEU A 52 4.088 -15.532 8.343 1.00 50.41 H new ATOM 0 HD23 LEU A 52 5.857 -15.721 8.306 1.00 50.41 H new ATOM 787 N SER A 53 5.223 -21.061 5.340 1.00 21.21 N ATOM 788 CA SER A 53 4.675 -22.411 5.403 1.00 22.12 C ATOM 789 C SER A 53 4.550 -22.880 6.850 1.00 44.33 C ATOM 790 O SER A 53 5.466 -22.702 7.653 1.00 44.52 O ATOM 791 CB SER A 53 5.559 -23.380 4.616 1.00 70.23 C ATOM 792 OG SER A 53 6.604 -23.890 5.425 1.00 4.23 O ATOM 0 H SER A 53 6.111 -20.989 4.843 1.00 21.21 H new ATOM 0 HA SER A 53 3.680 -22.394 4.958 1.00 22.12 H new ATOM 0 HB2 SER A 53 4.953 -24.203 4.237 1.00 70.23 H new ATOM 0 HB3 SER A 53 5.981 -22.870 3.750 1.00 70.23 H new ATOM 0 HG SER A 53 6.841 -24.792 5.123 1.00 4.23 H new ATOM 798 N ASP A 54 3.410 -23.479 7.174 1.00 23.32 N ATOM 799 CA ASP A 54 3.164 -23.975 8.523 1.00 23.24 C ATOM 800 C ASP A 54 3.139 -25.500 8.546 1.00 71.34 C ATOM 801 O ASP A 54 2.138 -26.119 8.183 1.00 61.41 O ATOM 802 CB ASP A 54 1.843 -23.423 9.060 1.00 54.14 C ATOM 803 CG ASP A 54 1.824 -23.333 10.573 1.00 61.21 C ATOM 804 OD1 ASP A 54 2.393 -24.232 11.228 1.00 50.21 O ATOM 805 OD2 ASP A 54 1.241 -22.364 11.102 1.00 24.12 O ATOM 0 H ASP A 54 2.642 -23.633 6.521 1.00 23.32 H new ATOM 0 HA ASP A 54 3.978 -23.633 9.162 1.00 23.24 H new ATOM 0 HB2 ASP A 54 1.668 -22.433 8.638 1.00 54.14 H new ATOM 0 HB3 ASP A 54 1.024 -24.061 8.727 1.00 54.14 H new ATOM 810 N ILE A 55 4.246 -26.099 8.972 1.00 34.21 N ATOM 811 CA ILE A 55 4.350 -27.551 9.041 1.00 33.52 C ATOM 812 C ILE A 55 3.540 -28.106 10.209 1.00 41.33 C ATOM 813 O ILE A 55 3.902 -27.922 11.371 1.00 41.11 O ATOM 814 CB ILE A 55 5.814 -28.005 9.186 1.00 44.31 C ATOM 815 CG1 ILE A 55 6.669 -27.408 8.066 1.00 52.23 C ATOM 816 CG2 ILE A 55 5.903 -29.523 9.175 1.00 75.53 C ATOM 817 CD1 ILE A 55 8.127 -27.252 8.436 1.00 63.24 C ATOM 0 H ILE A 55 5.083 -25.601 9.274 1.00 34.21 H new ATOM 0 HA ILE A 55 3.948 -27.940 8.105 1.00 33.52 H new ATOM 0 HB ILE A 55 6.197 -27.646 10.141 1.00 44.31 H new ATOM 0 HG12 ILE A 55 6.593 -28.043 7.184 1.00 52.23 H new ATOM 0 HG13 ILE A 55 6.266 -26.433 7.793 1.00 52.23 H new ATOM 0 HG21 ILE A 55 6.945 -29.827 9.278 1.00 75.53 H new ATOM 0 HG22 ILE A 55 5.323 -29.928 10.004 1.00 75.53 H new ATOM 0 HG23 ILE A 55 5.505 -29.904 8.234 1.00 75.53 H new ATOM 0 HD11 ILE A 55 8.672 -26.823 7.595 1.00 63.24 H new ATOM 0 HD12 ILE A 55 8.215 -26.592 9.299 1.00 63.24 H new ATOM 0 HD13 ILE A 55 8.547 -28.228 8.681 1.00 63.24 H new ATOM 920 N GLY A 62 5.193 -30.797 4.982 1.00 60.42 N ATOM 921 CA GLY A 62 5.230 -29.354 5.127 1.00 11.01 C ATOM 922 C GLY A 62 6.400 -28.727 4.395 1.00 23.44 C ATOM 923 O GLY A 62 6.218 -27.834 3.568 1.00 41.45 O ATOM 0 HA2 GLY A 62 4.300 -28.930 4.749 1.00 11.01 H new ATOM 0 HA3 GLY A 62 5.289 -29.100 6.185 1.00 11.01 H new ATOM 927 N LEU A 63 7.606 -29.195 4.701 1.00 14.42 N ATOM 928 CA LEU A 63 8.812 -28.673 4.068 1.00 73.04 C ATOM 929 C LEU A 63 9.038 -29.325 2.707 1.00 31.24 C ATOM 930 O LEU A 63 9.840 -28.849 1.905 1.00 2.42 O ATOM 931 CB LEU A 63 10.026 -28.908 4.967 1.00 25.21 C ATOM 932 CG LEU A 63 10.037 -30.221 5.751 1.00 61.11 C ATOM 933 CD1 LEU A 63 9.818 -31.402 4.818 1.00 43.33 C ATOM 934 CD2 LEU A 63 11.345 -30.377 6.513 1.00 0.51 C ATOM 0 H LEU A 63 7.774 -29.934 5.383 1.00 14.42 H new ATOM 0 HA LEU A 63 8.680 -27.601 3.919 1.00 73.04 H new ATOM 0 HB2 LEU A 63 10.923 -28.869 4.349 1.00 25.21 H new ATOM 0 HB3 LEU A 63 10.092 -28.084 5.677 1.00 25.21 H new ATOM 0 HG LEU A 63 9.220 -30.197 6.472 1.00 61.11 H new ATOM 0 HD11 LEU A 63 9.829 -32.327 5.394 1.00 43.33 H new ATOM 0 HD12 LEU A 63 8.855 -31.297 4.318 1.00 43.33 H new ATOM 0 HD13 LEU A 63 10.613 -31.429 4.073 1.00 43.33 H new ATOM 0 HD21 LEU A 63 11.335 -31.317 7.065 1.00 0.51 H new ATOM 0 HD22 LEU A 63 12.178 -30.378 5.810 1.00 0.51 H new ATOM 0 HD23 LEU A 63 11.461 -29.548 7.211 1.00 0.51 H new ATOM 946 N ALA A 64 8.324 -30.417 2.454 1.00 14.04 N ATOM 947 CA ALA A 64 8.443 -31.132 1.190 1.00 62.02 C ATOM 948 C ALA A 64 8.406 -30.168 0.009 1.00 62.34 C ATOM 949 O ALA A 64 9.206 -30.279 -0.922 1.00 20.04 O ATOM 950 CB ALA A 64 7.337 -32.168 1.063 1.00 75.42 C ATOM 0 H ALA A 64 7.657 -30.826 3.108 1.00 14.04 H new ATOM 0 HA ALA A 64 9.406 -31.642 1.179 1.00 62.02 H new ATOM 0 HB1 ALA A 64 7.439 -32.694 0.114 1.00 75.42 H new ATOM 0 HB2 ALA A 64 7.411 -32.882 1.883 1.00 75.42 H new ATOM 0 HB3 ALA A 64 6.367 -31.672 1.101 1.00 75.42 H new ATOM 956 N LEU A 65 7.473 -29.224 0.051 1.00 40.21 N ATOM 957 CA LEU A 65 7.331 -28.240 -1.017 1.00 62.10 C ATOM 958 C LEU A 65 8.291 -27.073 -0.813 1.00 3.41 C ATOM 959 O LEU A 65 8.649 -26.375 -1.763 1.00 71.44 O ATOM 960 CB LEU A 65 5.891 -27.727 -1.076 1.00 44.24 C ATOM 961 CG LEU A 65 5.630 -26.382 -0.397 1.00 34.32 C ATOM 962 CD1 LEU A 65 4.216 -25.903 -0.688 1.00 32.42 C ATOM 963 CD2 LEU A 65 5.860 -26.489 1.104 1.00 61.34 C ATOM 0 H LEU A 65 6.803 -29.119 0.813 1.00 40.21 H new ATOM 0 HA LEU A 65 7.576 -28.727 -1.961 1.00 62.10 H new ATOM 0 HB2 LEU A 65 5.598 -27.646 -2.123 1.00 44.24 H new ATOM 0 HB3 LEU A 65 5.241 -28.474 -0.620 1.00 44.24 H new ATOM 0 HG LEU A 65 6.330 -25.651 -0.801 1.00 34.32 H new ATOM 0 HD11 LEU A 65 4.048 -24.945 -0.197 1.00 32.42 H new ATOM 0 HD12 LEU A 65 4.085 -25.787 -1.764 1.00 32.42 H new ATOM 0 HD13 LEU A 65 3.500 -26.634 -0.312 1.00 32.42 H new ATOM 0 HD21 LEU A 65 5.670 -25.523 1.571 1.00 61.34 H new ATOM 0 HD22 LEU A 65 5.184 -27.234 1.523 1.00 61.34 H new ATOM 0 HD23 LEU A 65 6.891 -26.787 1.294 1.00 61.34 H new ATOM 975 N LEU A 66 8.707 -26.866 0.432 1.00 61.03 N ATOM 976 CA LEU A 66 9.629 -25.784 0.761 1.00 75.01 C ATOM 977 C LEU A 66 11.022 -26.070 0.212 1.00 45.24 C ATOM 978 O LEU A 66 11.811 -25.153 -0.019 1.00 50.22 O ATOM 979 CB LEU A 66 9.695 -25.588 2.277 1.00 65.15 C ATOM 980 CG LEU A 66 9.750 -24.140 2.764 1.00 12.04 C ATOM 981 CD1 LEU A 66 10.826 -23.366 2.019 1.00 11.32 C ATOM 982 CD2 LEU A 66 8.394 -23.469 2.596 1.00 23.30 C ATOM 0 H LEU A 66 8.421 -27.433 1.230 1.00 61.03 H new ATOM 0 HA LEU A 66 9.258 -24.869 0.298 1.00 75.01 H new ATOM 0 HB2 LEU A 66 8.824 -26.068 2.724 1.00 65.15 H new ATOM 0 HB3 LEU A 66 10.575 -26.111 2.653 1.00 65.15 H new ATOM 0 HG LEU A 66 10.003 -24.143 3.824 1.00 12.04 H new ATOM 0 HD11 LEU A 66 10.850 -22.338 2.379 1.00 11.32 H new ATOM 0 HD12 LEU A 66 11.796 -23.833 2.191 1.00 11.32 H new ATOM 0 HD13 LEU A 66 10.605 -23.371 0.952 1.00 11.32 H new ATOM 0 HD21 LEU A 66 8.452 -22.439 2.948 1.00 23.30 H new ATOM 0 HD22 LEU A 66 8.112 -23.478 1.543 1.00 23.30 H new ATOM 0 HD23 LEU A 66 7.646 -24.009 3.177 1.00 23.30 H new ATOM 994 N LYS A 67 11.320 -27.348 0.002 1.00 14.21 N ATOM 995 CA LYS A 67 12.617 -27.756 -0.524 1.00 11.12 C ATOM 996 C LYS A 67 12.779 -27.314 -1.975 1.00 4.24 C ATOM 997 O LYS A 67 13.894 -27.077 -2.439 1.00 2.44 O ATOM 998 CB LYS A 67 12.777 -29.274 -0.421 1.00 71.53 C ATOM 999 CG LYS A 67 12.875 -29.781 1.007 1.00 10.33 C ATOM 1000 CD LYS A 67 14.130 -29.270 1.695 1.00 20.00 C ATOM 1001 CE LYS A 67 15.388 -29.757 0.992 1.00 10.30 C ATOM 1002 NZ LYS A 67 16.312 -30.454 1.929 1.00 44.33 N ATOM 0 H LYS A 67 10.680 -28.120 0.188 1.00 14.21 H new ATOM 0 HA LYS A 67 13.391 -27.274 0.073 1.00 11.12 H new ATOM 0 HB2 LYS A 67 11.930 -29.754 -0.910 1.00 71.53 H new ATOM 0 HB3 LYS A 67 13.672 -29.574 -0.966 1.00 71.53 H new ATOM 0 HG2 LYS A 67 11.996 -29.463 1.568 1.00 10.33 H new ATOM 0 HG3 LYS A 67 12.877 -30.871 1.008 1.00 10.33 H new ATOM 0 HD2 LYS A 67 14.119 -28.180 1.711 1.00 20.00 H new ATOM 0 HD3 LYS A 67 14.139 -29.604 2.733 1.00 20.00 H new ATOM 0 HE2 LYS A 67 15.113 -30.433 0.183 1.00 10.30 H new ATOM 0 HE3 LYS A 67 15.902 -28.909 0.538 1.00 10.30 H new ATOM 0 HZ1 LYS A 67 17.157 -30.771 1.412 1.00 44.33 H new ATOM 0 HZ2 LYS A 67 16.595 -29.801 2.688 1.00 44.33 H new ATOM 0 HZ3 LYS A 67 15.831 -31.278 2.343 1.00 44.33 H new ATOM 1016 N GLN A 68 11.661 -27.204 -2.684 1.00 32.11 N ATOM 1017 CA GLN A 68 11.681 -26.789 -4.082 1.00 32.43 C ATOM 1018 C GLN A 68 11.642 -25.269 -4.199 1.00 71.31 C ATOM 1019 O GLN A 68 12.067 -24.704 -5.207 1.00 74.13 O ATOM 1020 CB GLN A 68 10.498 -27.401 -4.834 1.00 71.31 C ATOM 1021 CG GLN A 68 9.235 -26.557 -4.772 1.00 30.43 C ATOM 1022 CD GLN A 68 7.974 -27.397 -4.728 1.00 34.23 C ATOM 1023 OE1 GLN A 68 7.911 -28.476 -5.318 1.00 41.24 O ATOM 1024 NE2 GLN A 68 6.959 -26.906 -4.025 1.00 63.03 N ATOM 0 H GLN A 68 10.730 -27.396 -2.314 1.00 32.11 H new ATOM 0 HA GLN A 68 12.610 -27.146 -4.528 1.00 32.43 H new ATOM 0 HB2 GLN A 68 10.777 -27.546 -5.878 1.00 71.31 H new ATOM 0 HB3 GLN A 68 10.287 -28.387 -4.421 1.00 71.31 H new ATOM 0 HG2 GLN A 68 9.272 -25.918 -3.890 1.00 30.43 H new ATOM 0 HG3 GLN A 68 9.199 -25.899 -5.641 1.00 30.43 H new ATOM 0 HE21 GLN A 68 7.054 -26.008 -3.551 1.00 63.03 H new ATOM 0 HE22 GLN A 68 6.085 -27.428 -3.959 1.00 63.03 H new ATOM 1033 N ILE A 69 11.130 -24.614 -3.163 1.00 1.31 N ATOM 1034 CA ILE A 69 11.037 -23.159 -3.150 1.00 72.23 C ATOM 1035 C ILE A 69 12.416 -22.519 -3.266 1.00 11.25 C ATOM 1036 O ILE A 69 12.556 -21.407 -3.776 1.00 62.44 O ATOM 1037 CB ILE A 69 10.352 -22.650 -1.868 1.00 42.01 C ATOM 1038 CG1 ILE A 69 8.874 -23.045 -1.862 1.00 21.24 C ATOM 1039 CG2 ILE A 69 10.503 -21.141 -1.751 1.00 1.32 C ATOM 1040 CD1 ILE A 69 8.165 -22.712 -0.568 1.00 22.04 C ATOM 0 H ILE A 69 10.773 -25.067 -2.322 1.00 1.31 H new ATOM 0 HA ILE A 69 10.434 -22.873 -4.012 1.00 72.23 H new ATOM 0 HB ILE A 69 10.835 -23.112 -1.007 1.00 42.01 H new ATOM 0 HG12 ILE A 69 8.368 -22.540 -2.685 1.00 21.24 H new ATOM 0 HG13 ILE A 69 8.792 -24.116 -2.047 1.00 21.24 H new ATOM 0 HG21 ILE A 69 10.014 -20.796 -0.840 1.00 1.32 H new ATOM 0 HG22 ILE A 69 11.561 -20.883 -1.715 1.00 1.32 H new ATOM 0 HG23 ILE A 69 10.042 -20.661 -2.614 1.00 1.32 H new ATOM 0 HD11 ILE A 69 7.122 -23.020 -0.635 1.00 22.04 H new ATOM 0 HD12 ILE A 69 8.646 -23.238 0.256 1.00 22.04 H new ATOM 0 HD13 ILE A 69 8.216 -21.638 -0.391 1.00 22.04 H new ATOM 1052 N LYS A 70 13.433 -23.228 -2.789 1.00 22.23 N ATOM 1053 CA LYS A 70 14.803 -22.732 -2.840 1.00 63.12 C ATOM 1054 C LYS A 70 15.415 -22.966 -4.218 1.00 2.23 C ATOM 1055 O LYS A 70 16.348 -22.270 -4.618 1.00 11.11 O ATOM 1056 CB LYS A 70 15.656 -23.416 -1.769 1.00 72.21 C ATOM 1057 CG LYS A 70 15.168 -23.167 -0.352 1.00 51.25 C ATOM 1058 CD LYS A 70 15.450 -21.741 0.092 1.00 63.43 C ATOM 1059 CE LYS A 70 14.369 -21.225 1.029 1.00 63.11 C ATOM 1060 NZ LYS A 70 14.383 -19.739 1.127 1.00 61.25 N ATOM 0 H LYS A 70 13.334 -24.149 -2.362 1.00 22.23 H new ATOM 0 HA LYS A 70 14.782 -21.659 -2.648 1.00 63.12 H new ATOM 0 HB2 LYS A 70 15.668 -24.490 -1.957 1.00 72.21 H new ATOM 0 HB3 LYS A 70 16.684 -23.066 -1.857 1.00 72.21 H new ATOM 0 HG2 LYS A 70 14.097 -23.362 -0.295 1.00 51.25 H new ATOM 0 HG3 LYS A 70 15.655 -23.864 0.329 1.00 51.25 H new ATOM 0 HD2 LYS A 70 16.417 -21.699 0.593 1.00 63.43 H new ATOM 0 HD3 LYS A 70 15.515 -21.093 -0.782 1.00 63.43 H new ATOM 0 HE2 LYS A 70 13.393 -21.556 0.675 1.00 63.11 H new ATOM 0 HE3 LYS A 70 14.512 -21.656 2.020 1.00 63.11 H new ATOM 0 HZ1 LYS A 70 14.030 -19.449 2.061 1.00 61.25 H new ATOM 0 HZ2 LYS A 70 15.355 -19.392 1.002 1.00 61.25 H new ATOM 0 HZ3 LYS A 70 13.774 -19.337 0.387 1.00 61.25 H new ATOM 1074 N GLN A 71 14.883 -23.948 -4.938 1.00 12.11 N ATOM 1075 CA GLN A 71 15.377 -24.271 -6.271 1.00 21.40 C ATOM 1076 C GLN A 71 14.640 -23.465 -7.335 1.00 61.33 C ATOM 1077 O GLN A 71 15.216 -23.100 -8.360 1.00 52.43 O ATOM 1078 CB GLN A 71 15.219 -25.768 -6.547 1.00 41.42 C ATOM 1079 CG GLN A 71 15.614 -26.171 -7.959 1.00 2.23 C ATOM 1080 CD GLN A 71 16.640 -27.287 -7.981 1.00 53.04 C ATOM 1081 OE1 GLN A 71 16.732 -28.080 -7.044 1.00 75.53 O ATOM 1082 NE2 GLN A 71 17.418 -27.354 -9.055 1.00 62.31 N ATOM 0 H GLN A 71 14.110 -24.533 -4.621 1.00 12.11 H new ATOM 0 HA GLN A 71 16.435 -24.010 -6.312 1.00 21.40 H new ATOM 0 HB2 GLN A 71 15.827 -26.326 -5.835 1.00 41.42 H new ATOM 0 HB3 GLN A 71 14.182 -26.054 -6.373 1.00 41.42 H new ATOM 0 HG2 GLN A 71 14.725 -26.489 -8.504 1.00 2.23 H new ATOM 0 HG3 GLN A 71 16.015 -25.303 -8.482 1.00 2.23 H new ATOM 0 HE21 GLN A 71 17.307 -26.675 -9.808 1.00 62.31 H new ATOM 0 HE22 GLN A 71 18.127 -28.084 -9.127 1.00 62.31 H new ATOM 1091 N ARG A 72 13.364 -23.192 -7.085 1.00 53.04 N ATOM 1092 CA ARG A 72 12.548 -22.430 -8.023 1.00 74.42 C ATOM 1093 C ARG A 72 12.596 -20.940 -7.700 1.00 14.12 C ATOM 1094 O ARG A 72 12.639 -20.100 -8.599 1.00 40.21 O ATOM 1095 CB ARG A 72 11.100 -22.924 -7.990 1.00 40.01 C ATOM 1096 CG ARG A 72 10.666 -23.624 -9.267 1.00 60.34 C ATOM 1097 CD ARG A 72 9.240 -23.257 -9.647 1.00 42.34 C ATOM 1098 NE ARG A 72 8.729 -24.094 -10.729 1.00 32.30 N ATOM 1099 CZ ARG A 72 9.015 -23.895 -12.011 1.00 22.42 C ATOM 1100 NH1 ARG A 72 9.805 -22.893 -12.369 1.00 42.31 N ATOM 1101 NH2 ARG A 72 8.511 -24.701 -12.937 1.00 43.32 N ATOM 0 H ARG A 72 12.873 -23.487 -6.241 1.00 53.04 H new ATOM 0 HA ARG A 72 12.953 -22.580 -9.024 1.00 74.42 H new ATOM 0 HB2 ARG A 72 10.978 -23.609 -7.151 1.00 40.01 H new ATOM 0 HB3 ARG A 72 10.440 -22.076 -7.808 1.00 40.01 H new ATOM 0 HG2 ARG A 72 11.341 -23.353 -10.079 1.00 60.34 H new ATOM 0 HG3 ARG A 72 10.742 -24.703 -9.135 1.00 60.34 H new ATOM 0 HD2 ARG A 72 8.595 -23.359 -8.774 1.00 42.34 H new ATOM 0 HD3 ARG A 72 9.204 -22.211 -9.950 1.00 42.34 H new ATOM 0 HE ARG A 72 8.119 -24.875 -10.487 1.00 32.30 H new ATOM 0 HH11 ARG A 72 10.195 -22.272 -11.660 1.00 42.31 H new ATOM 0 HH12 ARG A 72 10.023 -22.742 -13.354 1.00 42.31 H new ATOM 0 HH21 ARG A 72 7.904 -25.474 -12.665 1.00 43.32 H new ATOM 0 HH22 ARG A 72 8.731 -24.548 -13.921 1.00 43.32 H new ATOM 1115 N HIS A 73 12.587 -20.619 -6.410 1.00 11.12 N ATOM 1116 CA HIS A 73 12.630 -19.230 -5.967 1.00 55.34 C ATOM 1117 C HIS A 73 13.698 -19.033 -4.896 1.00 32.31 C ATOM 1118 O HIS A 73 13.404 -18.921 -3.706 1.00 2.24 O ATOM 1119 CB HIS A 73 11.264 -18.802 -5.428 1.00 24.24 C ATOM 1120 CG HIS A 73 10.114 -19.286 -6.256 1.00 24.20 C ATOM 1121 ND1 HIS A 73 9.620 -18.589 -7.338 1.00 11.42 N ATOM 1122 CD2 HIS A 73 9.362 -20.407 -6.157 1.00 52.10 C ATOM 1123 CE1 HIS A 73 8.612 -19.258 -7.867 1.00 72.43 C ATOM 1124 NE2 HIS A 73 8.435 -20.366 -7.170 1.00 1.15 N ATOM 0 H HIS A 73 12.550 -21.302 -5.653 1.00 11.12 H new ATOM 0 HA HIS A 73 12.884 -18.609 -6.826 1.00 55.34 H new ATOM 0 HB2 HIS A 73 11.151 -19.176 -4.410 1.00 24.24 H new ATOM 0 HB3 HIS A 73 11.229 -17.714 -5.373 1.00 24.24 H new ATOM 0 HD1 HIS A 73 9.977 -17.696 -7.677 1.00 11.42 H new ATOM 0 HD2 HIS A 73 9.471 -21.188 -5.419 1.00 52.10 H new ATOM 0 HE1 HIS A 73 8.031 -18.951 -8.724 1.00 72.43 H new ATOM 1132 N PRO A 74 14.968 -18.992 -5.326 1.00 54.50 N ATOM 1133 CA PRO A 74 16.105 -18.809 -4.419 1.00 71.03 C ATOM 1134 C PRO A 74 16.156 -17.404 -3.829 1.00 33.13 C ATOM 1135 O PRO A 74 16.411 -17.231 -2.637 1.00 53.43 O ATOM 1136 CB PRO A 74 17.319 -19.055 -5.319 1.00 33.11 C ATOM 1137 CG PRO A 74 16.843 -18.732 -6.693 1.00 44.03 C ATOM 1138 CD PRO A 74 15.391 -19.119 -6.731 1.00 12.23 C ATOM 0 HA PRO A 74 16.052 -19.476 -3.559 1.00 71.03 H new ATOM 0 HB2 PRO A 74 18.159 -18.423 -5.032 1.00 33.11 H new ATOM 0 HB3 PRO A 74 17.660 -20.088 -5.251 1.00 33.11 H new ATOM 0 HG2 PRO A 74 16.970 -17.671 -6.910 1.00 44.03 H new ATOM 0 HG3 PRO A 74 17.413 -19.281 -7.442 1.00 44.03 H new ATOM 0 HD2 PRO A 74 14.817 -18.462 -7.385 1.00 12.23 H new ATOM 0 HD3 PRO A 74 15.255 -20.135 -7.101 1.00 12.23 H new ATOM 1146 N MET A 75 15.911 -16.404 -4.670 1.00 31.55 N ATOM 1147 CA MET A 75 15.927 -15.014 -4.229 1.00 24.41 C ATOM 1148 C MET A 75 14.675 -14.685 -3.423 1.00 10.30 C ATOM 1149 O MET A 75 14.554 -13.594 -2.863 1.00 20.31 O ATOM 1150 CB MET A 75 16.035 -14.077 -5.433 1.00 12.30 C ATOM 1151 CG MET A 75 16.516 -12.680 -5.074 1.00 53.14 C ATOM 1152 SD MET A 75 15.841 -11.412 -6.165 1.00 25.02 S ATOM 1153 CE MET A 75 14.163 -11.295 -5.551 1.00 1.34 C ATOM 0 H MET A 75 15.699 -16.530 -5.660 1.00 31.55 H new ATOM 0 HA MET A 75 16.797 -14.871 -3.588 1.00 24.41 H new ATOM 0 HB2 MET A 75 16.719 -14.512 -6.162 1.00 12.30 H new ATOM 0 HB3 MET A 75 15.060 -14.004 -5.915 1.00 12.30 H new ATOM 0 HG2 MET A 75 16.234 -12.456 -4.045 1.00 53.14 H new ATOM 0 HG3 MET A 75 17.605 -12.652 -5.120 1.00 53.14 H new ATOM 0 HE1 MET A 75 13.693 -10.394 -5.946 1.00 1.34 H new ATOM 0 HE2 MET A 75 13.597 -12.170 -5.871 1.00 1.34 H new ATOM 0 HE3 MET A 75 14.176 -11.250 -4.462 1.00 1.34 H new ATOM 1163 N LEU A 76 13.746 -15.632 -3.368 1.00 74.35 N ATOM 1164 CA LEU A 76 12.501 -15.442 -2.631 1.00 25.23 C ATOM 1165 C LEU A 76 12.642 -15.929 -1.192 1.00 73.10 C ATOM 1166 O LEU A 76 12.848 -17.114 -0.929 1.00 43.00 O ATOM 1167 CB LEU A 76 11.357 -16.184 -3.323 1.00 13.00 C ATOM 1168 CG LEU A 76 9.991 -16.097 -2.641 1.00 51.51 C ATOM 1169 CD1 LEU A 76 9.367 -14.728 -2.868 1.00 65.13 C ATOM 1170 CD2 LEU A 76 9.069 -17.196 -3.150 1.00 4.42 C ATOM 0 H LEU A 76 13.831 -16.540 -3.825 1.00 74.35 H new ATOM 0 HA LEU A 76 12.276 -14.376 -2.615 1.00 25.23 H new ATOM 0 HB2 LEU A 76 11.260 -15.796 -4.337 1.00 13.00 H new ATOM 0 HB3 LEU A 76 11.632 -17.235 -3.409 1.00 13.00 H new ATOM 0 HG LEU A 76 10.132 -16.236 -1.569 1.00 51.51 H new ATOM 0 HD11 LEU A 76 8.396 -14.685 -2.375 1.00 65.13 H new ATOM 0 HD12 LEU A 76 10.018 -13.958 -2.454 1.00 65.13 H new ATOM 0 HD13 LEU A 76 9.240 -14.559 -3.937 1.00 65.13 H new ATOM 0 HD21 LEU A 76 8.102 -17.118 -2.654 1.00 4.42 H new ATOM 0 HD22 LEU A 76 8.934 -17.088 -4.226 1.00 4.42 H new ATOM 0 HD23 LEU A 76 9.510 -18.169 -2.935 1.00 4.42 H new ATOM 1182 N PRO A 77 12.525 -14.995 -0.237 1.00 11.32 N ATOM 1183 CA PRO A 77 12.632 -15.305 1.192 1.00 64.42 C ATOM 1184 C PRO A 77 11.444 -16.114 1.700 1.00 12.13 C ATOM 1185 O PRO A 77 10.308 -15.901 1.276 1.00 11.51 O ATOM 1186 CB PRO A 77 12.663 -13.925 1.854 1.00 71.45 C ATOM 1187 CG PRO A 77 11.963 -13.029 0.892 1.00 52.42 C ATOM 1188 CD PRO A 77 12.278 -13.563 -0.478 1.00 24.12 C ATOM 0 HA PRO A 77 13.507 -15.917 1.412 1.00 64.42 H new ATOM 0 HB2 PRO A 77 12.160 -13.938 2.821 1.00 71.45 H new ATOM 0 HB3 PRO A 77 13.686 -13.594 2.031 1.00 71.45 H new ATOM 0 HG2 PRO A 77 10.888 -13.027 1.072 1.00 52.42 H new ATOM 0 HG3 PRO A 77 12.306 -12.000 0.998 1.00 52.42 H new ATOM 0 HD2 PRO A 77 11.450 -13.409 -1.170 1.00 24.12 H new ATOM 0 HD3 PRO A 77 13.150 -13.072 -0.910 1.00 24.12 H new ATOM 1196 N VAL A 78 11.712 -17.043 2.612 1.00 4.12 N ATOM 1197 CA VAL A 78 10.664 -17.883 3.180 1.00 44.40 C ATOM 1198 C VAL A 78 10.856 -18.060 4.682 1.00 14.10 C ATOM 1199 O VAL A 78 11.947 -17.842 5.209 1.00 51.50 O ATOM 1200 CB VAL A 78 10.632 -19.269 2.510 1.00 32.34 C ATOM 1201 CG1 VAL A 78 9.332 -19.989 2.836 1.00 23.42 C ATOM 1202 CG2 VAL A 78 10.816 -19.139 1.006 1.00 12.50 C ATOM 0 H VAL A 78 12.647 -17.233 2.974 1.00 4.12 H new ATOM 0 HA VAL A 78 9.717 -17.377 2.995 1.00 44.40 H new ATOM 0 HB VAL A 78 11.457 -19.862 2.903 1.00 32.34 H new ATOM 0 HG11 VAL A 78 9.327 -20.967 2.354 1.00 23.42 H new ATOM 0 HG12 VAL A 78 9.247 -20.116 3.915 1.00 23.42 H new ATOM 0 HG13 VAL A 78 8.489 -19.401 2.472 1.00 23.42 H new ATOM 0 HG21 VAL A 78 10.791 -20.128 0.549 1.00 12.50 H new ATOM 0 HG22 VAL A 78 10.013 -18.528 0.593 1.00 12.50 H new ATOM 0 HG23 VAL A 78 11.776 -18.667 0.796 1.00 12.50 H new ATOM 1212 N ILE A 79 9.788 -18.458 5.366 1.00 41.41 N ATOM 1213 CA ILE A 79 9.839 -18.666 6.808 1.00 61.04 C ATOM 1214 C ILE A 79 9.116 -19.949 7.203 1.00 1.05 C ATOM 1215 O ILE A 79 7.958 -20.158 6.841 1.00 40.22 O ATOM 1216 CB ILE A 79 9.215 -17.482 7.570 1.00 60.21 C ATOM 1217 CG1 ILE A 79 9.699 -16.156 6.981 1.00 50.24 C ATOM 1218 CG2 ILE A 79 9.556 -17.566 9.050 1.00 25.41 C ATOM 1219 CD1 ILE A 79 8.987 -14.947 7.547 1.00 73.43 C ATOM 0 H ILE A 79 8.878 -18.643 4.945 1.00 41.41 H new ATOM 0 HA ILE A 79 10.892 -18.747 7.079 1.00 61.04 H new ATOM 0 HB ILE A 79 8.131 -17.531 7.463 1.00 60.21 H new ATOM 0 HG12 ILE A 79 10.769 -16.056 7.164 1.00 50.24 H new ATOM 0 HG13 ILE A 79 9.561 -16.176 5.900 1.00 50.24 H new ATOM 0 HG21 ILE A 79 9.108 -16.722 9.575 1.00 25.41 H new ATOM 0 HG22 ILE A 79 9.166 -18.497 9.461 1.00 25.41 H new ATOM 0 HG23 ILE A 79 10.638 -17.538 9.176 1.00 25.41 H new ATOM 0 HD11 ILE A 79 9.381 -14.043 7.084 1.00 73.43 H new ATOM 0 HD12 ILE A 79 7.919 -15.024 7.341 1.00 73.43 H new ATOM 0 HD13 ILE A 79 9.147 -14.902 8.624 1.00 73.43 H new ATOM 1231 N ILE A 80 9.806 -20.804 7.951 1.00 42.04 N ATOM 1232 CA ILE A 80 9.229 -22.065 8.398 1.00 32.24 C ATOM 1233 C ILE A 80 8.484 -21.891 9.718 1.00 71.05 C ATOM 1234 O ILE A 80 8.977 -21.242 10.639 1.00 23.35 O ATOM 1235 CB ILE A 80 10.309 -23.149 8.571 1.00 61.20 C ATOM 1236 CG1 ILE A 80 10.759 -23.674 7.206 1.00 51.32 C ATOM 1237 CG2 ILE A 80 9.785 -24.286 9.435 1.00 71.40 C ATOM 1238 CD1 ILE A 80 9.809 -24.685 6.604 1.00 32.42 C ATOM 0 H ILE A 80 10.765 -20.646 8.260 1.00 42.04 H new ATOM 0 HA ILE A 80 8.528 -22.382 7.626 1.00 32.24 H new ATOM 0 HB ILE A 80 11.170 -22.706 9.071 1.00 61.20 H new ATOM 0 HG12 ILE A 80 10.865 -22.834 6.520 1.00 51.32 H new ATOM 0 HG13 ILE A 80 11.744 -24.129 7.308 1.00 51.32 H new ATOM 0 HG21 ILE A 80 10.560 -25.044 9.548 1.00 71.40 H new ATOM 0 HG22 ILE A 80 9.509 -23.900 10.416 1.00 71.40 H new ATOM 0 HG23 ILE A 80 8.910 -24.730 8.961 1.00 71.40 H new ATOM 0 HD11 ILE A 80 10.192 -25.013 5.638 1.00 32.42 H new ATOM 0 HD12 ILE A 80 9.721 -25.543 7.270 1.00 32.42 H new ATOM 0 HD13 ILE A 80 8.829 -24.228 6.470 1.00 32.42 H new ATOM 1250 N MET A 81 7.294 -22.477 9.800 1.00 13.54 N ATOM 1251 CA MET A 81 6.482 -22.389 11.009 1.00 53.44 C ATOM 1252 C MET A 81 6.196 -23.776 11.574 1.00 73.34 C ATOM 1253 O MET A 81 5.634 -24.633 10.890 1.00 13.02 O ATOM 1254 CB MET A 81 5.167 -21.664 10.713 1.00 32.44 C ATOM 1255 CG MET A 81 5.192 -20.188 11.073 1.00 44.43 C ATOM 1256 SD MET A 81 4.208 -19.181 9.946 1.00 32.51 S ATOM 1257 CE MET A 81 2.771 -20.228 9.726 1.00 52.32 C ATOM 0 H MET A 81 6.871 -23.017 9.045 1.00 13.54 H new ATOM 0 HA MET A 81 7.042 -21.822 11.753 1.00 53.44 H new ATOM 0 HB2 MET A 81 4.936 -21.767 9.653 1.00 32.44 H new ATOM 0 HB3 MET A 81 4.362 -22.150 11.264 1.00 32.44 H new ATOM 0 HG2 MET A 81 4.819 -20.059 12.089 1.00 44.43 H new ATOM 0 HG3 MET A 81 6.223 -19.833 11.065 1.00 44.43 H new ATOM 0 HE1 MET A 81 2.160 -19.841 8.910 1.00 52.32 H new ATOM 0 HE2 MET A 81 3.093 -21.242 9.489 1.00 52.32 H new ATOM 0 HE3 MET A 81 2.184 -20.239 10.645 1.00 52.32 H new ATOM 1267 N THR A 82 6.586 -23.993 12.826 1.00 42.31 N ATOM 1268 CA THR A 82 6.373 -25.277 13.482 1.00 42.41 C ATOM 1269 C THR A 82 6.915 -25.263 14.907 1.00 42.34 C ATOM 1270 O THR A 82 6.187 -25.534 15.861 1.00 54.35 O ATOM 1271 CB THR A 82 7.042 -26.424 12.701 1.00 12.05 C ATOM 1272 OG1 THR A 82 7.164 -27.579 13.538 1.00 24.44 O ATOM 1273 CG2 THR A 82 8.416 -26.008 12.199 1.00 52.35 C ATOM 0 H THR A 82 7.052 -23.295 13.406 1.00 42.31 H new ATOM 0 HA THR A 82 5.296 -25.444 13.508 1.00 42.41 H new ATOM 0 HB THR A 82 6.416 -26.663 11.841 1.00 12.05 H new ATOM 0 HG1 THR A 82 6.811 -28.363 13.067 1.00 24.44 H new ATOM 0 HG21 THR A 82 8.869 -26.834 11.651 1.00 52.35 H new ATOM 0 HG22 THR A 82 8.317 -25.146 11.539 1.00 52.35 H new ATOM 0 HG23 THR A 82 9.049 -25.745 13.047 1.00 52.35 H new ATOM 1281 N ALA A 83 8.198 -24.945 15.043 1.00 2.45 N ATOM 1282 CA ALA A 83 8.837 -24.893 16.353 1.00 51.33 C ATOM 1283 C ALA A 83 9.145 -26.294 16.869 1.00 33.13 C ATOM 1284 O ALA A 83 10.308 -26.680 16.992 1.00 73.02 O ATOM 1285 CB ALA A 83 7.954 -24.146 17.341 1.00 10.24 C ATOM 0 H ALA A 83 8.815 -24.720 14.263 1.00 2.45 H new ATOM 0 HA ALA A 83 9.781 -24.357 16.249 1.00 51.33 H new ATOM 0 HB1 ALA A 83 8.443 -24.115 18.315 1.00 10.24 H new ATOM 0 HB2 ALA A 83 7.789 -23.129 16.985 1.00 10.24 H new ATOM 0 HB3 ALA A 83 6.996 -24.658 17.432 1.00 10.24 H new ATOM 1291 N HIS A 84 8.095 -27.052 17.172 1.00 64.12 N ATOM 1292 CA HIS A 84 8.254 -28.412 17.676 1.00 42.43 C ATOM 1293 C HIS A 84 8.340 -29.411 16.526 1.00 51.32 C ATOM 1294 O HIS A 84 7.698 -29.236 15.490 1.00 20.20 O ATOM 1295 CB HIS A 84 7.090 -28.776 18.597 1.00 11.34 C ATOM 1296 CG HIS A 84 5.812 -29.051 17.867 1.00 34.43 C ATOM 1297 ND1 HIS A 84 4.954 -30.075 18.211 1.00 21.13 N ATOM 1298 CD2 HIS A 84 5.246 -28.429 16.807 1.00 72.02 C ATOM 1299 CE1 HIS A 84 3.917 -30.071 17.393 1.00 21.50 C ATOM 1300 NE2 HIS A 84 4.070 -29.082 16.532 1.00 55.05 N ATOM 0 H HIS A 84 7.126 -26.748 17.077 1.00 64.12 H new ATOM 0 HA HIS A 84 9.184 -28.457 18.243 1.00 42.43 H new ATOM 0 HB2 HIS A 84 7.361 -29.655 19.182 1.00 11.34 H new ATOM 0 HB3 HIS A 84 6.928 -27.961 19.303 1.00 11.34 H new ATOM 0 HD2 HIS A 84 5.645 -27.577 16.276 1.00 72.02 H new ATOM 0 HE1 HIS A 84 3.086 -30.760 17.423 1.00 21.50 H new ATOM 0 HE2 HIS A 84 3.420 -28.842 15.784 1.00 55.05 H new ATOM 1308 N SER A 85 9.137 -30.457 16.715 1.00 23.15 N ATOM 1309 CA SER A 85 9.310 -31.482 15.692 1.00 4.44 C ATOM 1310 C SER A 85 9.502 -30.849 14.317 1.00 25.13 C ATOM 1311 O SER A 85 8.603 -30.878 13.477 1.00 31.24 O ATOM 1312 CB SER A 85 8.102 -32.420 15.670 1.00 2.25 C ATOM 1313 OG SER A 85 8.322 -33.554 16.491 1.00 2.11 O ATOM 0 H SER A 85 9.674 -30.617 17.567 1.00 23.15 H new ATOM 0 HA SER A 85 10.203 -32.058 15.936 1.00 4.44 H new ATOM 0 HB2 SER A 85 7.216 -31.885 16.013 1.00 2.25 H new ATOM 0 HB3 SER A 85 7.905 -32.740 14.647 1.00 2.25 H new ATOM 0 HG SER A 85 7.535 -34.137 16.461 1.00 2.11 H new ATOM 1319 N ASP A 86 10.681 -30.278 14.095 1.00 22.24 N ATOM 1320 CA ASP A 86 10.994 -29.639 12.822 1.00 15.14 C ATOM 1321 C ASP A 86 12.261 -28.797 12.934 1.00 52.04 C ATOM 1322 O ASP A 86 13.240 -29.033 12.224 1.00 10.15 O ATOM 1323 CB ASP A 86 9.824 -28.765 12.366 1.00 63.13 C ATOM 1324 CG ASP A 86 9.071 -29.370 11.197 1.00 20.34 C ATOM 1325 OD1 ASP A 86 9.707 -29.642 10.157 1.00 2.24 O ATOM 1326 OD2 ASP A 86 7.845 -29.573 11.323 1.00 25.24 O ATOM 0 H ASP A 86 11.436 -30.245 14.780 1.00 22.24 H new ATOM 0 HA ASP A 86 11.164 -30.421 12.082 1.00 15.14 H new ATOM 0 HB2 ASP A 86 9.137 -28.618 13.200 1.00 63.13 H new ATOM 0 HB3 ASP A 86 10.198 -27.781 12.084 1.00 63.13 H new ATOM 1331 N LEU A 87 12.235 -27.814 13.827 1.00 42.13 N ATOM 1332 CA LEU A 87 13.382 -26.935 14.030 1.00 32.35 C ATOM 1333 C LEU A 87 14.680 -27.735 14.071 1.00 1.13 C ATOM 1334 O LEU A 87 15.678 -27.348 13.463 1.00 23.34 O ATOM 1335 CB LEU A 87 13.217 -26.142 15.328 1.00 41.11 C ATOM 1336 CG LEU A 87 12.625 -24.739 15.186 1.00 32.33 C ATOM 1337 CD1 LEU A 87 11.379 -24.771 14.314 1.00 65.30 C ATOM 1338 CD2 LEU A 87 12.305 -24.155 16.554 1.00 0.24 C ATOM 0 H LEU A 87 11.433 -27.605 14.422 1.00 42.13 H new ATOM 0 HA LEU A 87 13.431 -26.241 13.191 1.00 32.35 H new ATOM 0 HB2 LEU A 87 12.582 -26.716 16.003 1.00 41.11 H new ATOM 0 HB3 LEU A 87 14.193 -26.056 15.805 1.00 41.11 H new ATOM 0 HG LEU A 87 13.365 -24.100 14.704 1.00 32.33 H new ATOM 0 HD11 LEU A 87 10.972 -23.764 14.224 1.00 65.30 H new ATOM 0 HD12 LEU A 87 11.637 -25.147 13.324 1.00 65.30 H new ATOM 0 HD13 LEU A 87 10.634 -25.425 14.768 1.00 65.30 H new ATOM 0 HD21 LEU A 87 11.885 -23.156 16.434 1.00 0.24 H new ATOM 0 HD22 LEU A 87 11.583 -24.794 17.063 1.00 0.24 H new ATOM 0 HD23 LEU A 87 13.218 -24.096 17.147 1.00 0.24 H new ATOM 1350 N ASP A 88 14.658 -28.852 14.790 1.00 63.01 N ATOM 1351 CA ASP A 88 15.833 -29.709 14.907 1.00 14.44 C ATOM 1352 C ASP A 88 16.497 -29.909 13.549 1.00 3.10 C ATOM 1353 O ASP A 88 17.715 -29.788 13.419 1.00 70.00 O ATOM 1354 CB ASP A 88 15.445 -31.062 15.504 1.00 21.51 C ATOM 1355 CG ASP A 88 15.592 -31.094 17.013 1.00 41.33 C ATOM 1356 OD1 ASP A 88 16.736 -31.230 17.495 1.00 2.31 O ATOM 1357 OD2 ASP A 88 14.563 -30.981 17.711 1.00 22.21 O ATOM 0 H ASP A 88 13.840 -29.185 15.300 1.00 63.01 H new ATOM 0 HA ASP A 88 16.546 -29.219 15.570 1.00 14.44 H new ATOM 0 HB2 ASP A 88 14.413 -31.291 15.238 1.00 21.51 H new ATOM 0 HB3 ASP A 88 16.068 -31.841 15.065 1.00 21.51 H new ATOM 1362 N ALA A 89 15.689 -30.217 12.540 1.00 11.11 N ATOM 1363 CA ALA A 89 16.198 -30.433 11.192 1.00 64.14 C ATOM 1364 C ALA A 89 16.268 -29.123 10.414 1.00 33.03 C ATOM 1365 O ALA A 89 17.279 -28.818 9.783 1.00 72.04 O ATOM 1366 CB ALA A 89 15.329 -31.441 10.454 1.00 22.14 C ATOM 0 H ALA A 89 14.679 -30.323 12.631 1.00 11.11 H new ATOM 0 HA ALA A 89 17.209 -30.832 11.273 1.00 64.14 H new ATOM 0 HB1 ALA A 89 15.721 -31.592 9.448 1.00 22.14 H new ATOM 0 HB2 ALA A 89 15.334 -32.389 10.992 1.00 22.14 H new ATOM 0 HB3 ALA A 89 14.308 -31.065 10.392 1.00 22.14 H new ATOM 1372 N ALA A 90 15.186 -28.353 10.465 1.00 40.53 N ATOM 1373 CA ALA A 90 15.125 -27.075 9.766 1.00 2.31 C ATOM 1374 C ALA A 90 16.375 -26.242 10.034 1.00 35.43 C ATOM 1375 O ALA A 90 16.838 -25.503 9.166 1.00 25.21 O ATOM 1376 CB ALA A 90 13.878 -26.306 10.179 1.00 64.53 C ATOM 0 H ALA A 90 14.340 -28.592 10.983 1.00 40.53 H new ATOM 0 HA ALA A 90 15.077 -27.277 8.696 1.00 2.31 H new ATOM 0 HB1 ALA A 90 13.846 -25.354 9.649 1.00 64.53 H new ATOM 0 HB2 ALA A 90 12.992 -26.890 9.931 1.00 64.53 H new ATOM 0 HB3 ALA A 90 13.903 -26.123 11.253 1.00 64.53 H new ATOM 1382 N VAL A 91 16.915 -26.367 11.242 1.00 10.04 N ATOM 1383 CA VAL A 91 18.111 -25.626 11.625 1.00 62.42 C ATOM 1384 C VAL A 91 19.208 -25.775 10.576 1.00 1.14 C ATOM 1385 O VAL A 91 19.729 -24.785 10.064 1.00 43.51 O ATOM 1386 CB VAL A 91 18.652 -26.098 12.988 1.00 73.22 C ATOM 1387 CG1 VAL A 91 20.086 -25.632 13.184 1.00 63.22 C ATOM 1388 CG2 VAL A 91 17.761 -25.598 14.115 1.00 23.54 C ATOM 0 H VAL A 91 16.543 -26.974 11.972 1.00 10.04 H new ATOM 0 HA VAL A 91 17.823 -24.577 11.701 1.00 62.42 H new ATOM 0 HB VAL A 91 18.645 -27.188 13.005 1.00 73.22 H new ATOM 0 HG11 VAL A 91 20.451 -25.975 14.152 1.00 63.22 H new ATOM 0 HG12 VAL A 91 20.714 -26.043 12.393 1.00 63.22 H new ATOM 0 HG13 VAL A 91 20.123 -24.543 13.147 1.00 63.22 H new ATOM 0 HG21 VAL A 91 18.157 -25.940 15.071 1.00 23.54 H new ATOM 0 HG22 VAL A 91 17.735 -24.508 14.102 1.00 23.54 H new ATOM 0 HG23 VAL A 91 16.752 -25.987 13.981 1.00 23.54 H new ATOM 1398 N SER A 92 19.554 -27.019 10.262 1.00 73.23 N ATOM 1399 CA SER A 92 20.592 -27.298 9.276 1.00 35.21 C ATOM 1400 C SER A 92 20.004 -27.350 7.869 1.00 64.51 C ATOM 1401 O SER A 92 20.561 -26.780 6.931 1.00 74.21 O ATOM 1402 CB SER A 92 21.289 -28.621 9.599 1.00 2.24 C ATOM 1403 OG SER A 92 22.085 -29.057 8.511 1.00 74.22 O ATOM 0 H SER A 92 19.131 -27.850 10.676 1.00 73.23 H new ATOM 0 HA SER A 92 21.324 -26.491 9.316 1.00 35.21 H new ATOM 0 HB2 SER A 92 21.913 -28.500 10.485 1.00 2.24 H new ATOM 0 HB3 SER A 92 20.543 -29.380 9.835 1.00 2.24 H new ATOM 0 HG SER A 92 22.521 -29.903 8.743 1.00 74.22 H new ATOM 1409 N ALA A 93 18.876 -28.039 7.730 1.00 23.35 N ATOM 1410 CA ALA A 93 18.212 -28.165 6.439 1.00 33.34 C ATOM 1411 C ALA A 93 17.830 -26.798 5.883 1.00 41.14 C ATOM 1412 O ALA A 93 18.325 -26.384 4.834 1.00 2.42 O ATOM 1413 CB ALA A 93 16.980 -29.049 6.564 1.00 35.11 C ATOM 0 H ALA A 93 18.403 -28.518 8.496 1.00 23.35 H new ATOM 0 HA ALA A 93 18.910 -28.629 5.742 1.00 33.34 H new ATOM 0 HB1 ALA A 93 16.494 -29.135 5.592 1.00 35.11 H new ATOM 0 HB2 ALA A 93 17.276 -30.039 6.910 1.00 35.11 H new ATOM 0 HB3 ALA A 93 16.286 -28.607 7.279 1.00 35.11 H new ATOM 1419 N TYR A 94 16.947 -26.102 6.590 1.00 41.11 N ATOM 1420 CA TYR A 94 16.497 -24.782 6.164 1.00 33.13 C ATOM 1421 C TYR A 94 17.682 -23.845 5.949 1.00 35.33 C ATOM 1422 O TYR A 94 17.574 -22.845 5.241 1.00 41.31 O ATOM 1423 CB TYR A 94 15.543 -24.187 7.201 1.00 0.44 C ATOM 1424 CG TYR A 94 14.547 -23.210 6.618 1.00 72.32 C ATOM 1425 CD1 TYR A 94 13.861 -23.505 5.446 1.00 72.02 C ATOM 1426 CD2 TYR A 94 14.292 -21.993 7.237 1.00 21.23 C ATOM 1427 CE1 TYR A 94 12.950 -22.616 4.908 1.00 2.04 C ATOM 1428 CE2 TYR A 94 13.382 -21.099 6.708 1.00 41.20 C ATOM 1429 CZ TYR A 94 12.714 -21.415 5.543 1.00 11.53 C ATOM 1430 OH TYR A 94 11.808 -20.526 5.012 1.00 12.40 O ATOM 0 H TYR A 94 16.529 -26.430 7.461 1.00 41.11 H new ATOM 0 HA TYR A 94 15.970 -24.894 5.217 1.00 33.13 H new ATOM 0 HB2 TYR A 94 15.001 -24.996 7.690 1.00 0.44 H new ATOM 0 HB3 TYR A 94 16.126 -23.682 7.971 1.00 0.44 H new ATOM 0 HD1 TYR A 94 14.043 -24.445 4.947 1.00 72.02 H new ATOM 0 HD2 TYR A 94 14.815 -21.741 8.148 1.00 21.23 H new ATOM 0 HE1 TYR A 94 12.426 -22.860 3.996 1.00 2.04 H new ATOM 0 HE2 TYR A 94 13.194 -20.158 7.203 1.00 41.20 H new ATOM 0 HH TYR A 94 10.899 -20.804 5.250 1.00 12.40 H new ATOM 1440 N GLN A 95 18.811 -24.179 6.566 1.00 53.20 N ATOM 1441 CA GLN A 95 20.016 -23.368 6.443 1.00 42.14 C ATOM 1442 C GLN A 95 20.609 -23.483 5.042 1.00 13.00 C ATOM 1443 O GLN A 95 21.650 -22.896 4.749 1.00 20.30 O ATOM 1444 CB GLN A 95 21.052 -23.795 7.484 1.00 1.41 C ATOM 1445 CG GLN A 95 21.189 -22.819 8.642 1.00 52.45 C ATOM 1446 CD GLN A 95 22.019 -21.602 8.284 1.00 44.11 C ATOM 1447 OE1 GLN A 95 21.537 -20.677 7.630 1.00 12.20 O ATOM 1448 NE2 GLN A 95 23.276 -21.596 8.712 1.00 23.12 N ATOM 0 H GLN A 95 18.916 -25.005 7.155 1.00 53.20 H new ATOM 0 HA GLN A 95 19.743 -22.327 6.618 1.00 42.14 H new ATOM 0 HB2 GLN A 95 20.779 -24.775 7.876 1.00 1.41 H new ATOM 0 HB3 GLN A 95 22.021 -23.906 6.996 1.00 1.41 H new ATOM 0 HG2 GLN A 95 20.197 -22.497 8.960 1.00 52.45 H new ATOM 0 HG3 GLN A 95 21.646 -23.329 9.490 1.00 52.45 H new ATOM 0 HE21 GLN A 95 23.635 -22.384 9.251 1.00 23.12 H new ATOM 0 HE22 GLN A 95 23.883 -20.804 8.501 1.00 23.12 H new ATOM 1457 N GLN A 96 19.938 -24.243 4.182 1.00 43.32 N ATOM 1458 CA GLN A 96 20.400 -24.435 2.812 1.00 21.12 C ATOM 1459 C GLN A 96 20.128 -23.195 1.967 1.00 64.01 C ATOM 1460 O GLN A 96 19.959 -23.285 0.752 1.00 42.33 O ATOM 1461 CB GLN A 96 19.717 -25.653 2.187 1.00 14.54 C ATOM 1462 CG GLN A 96 20.361 -26.975 2.570 1.00 33.13 C ATOM 1463 CD GLN A 96 21.734 -27.155 1.954 1.00 22.25 C ATOM 1464 OE1 GLN A 96 21.927 -26.924 0.760 1.00 21.15 O ATOM 1465 NE2 GLN A 96 22.698 -27.570 2.768 1.00 3.10 N ATOM 0 H GLN A 96 19.074 -24.735 4.409 1.00 43.32 H new ATOM 0 HA GLN A 96 21.476 -24.605 2.839 1.00 21.12 H new ATOM 0 HB2 GLN A 96 18.670 -25.667 2.490 1.00 14.54 H new ATOM 0 HB3 GLN A 96 19.733 -25.551 1.102 1.00 14.54 H new ATOM 0 HG2 GLN A 96 20.443 -27.034 3.655 1.00 33.13 H new ATOM 0 HG3 GLN A 96 19.715 -27.794 2.254 1.00 33.13 H new ATOM 0 HE21 GLN A 96 22.493 -27.749 3.751 1.00 3.10 H new ATOM 0 HE22 GLN A 96 23.643 -27.709 2.410 1.00 3.10 H new ATOM 1474 N GLY A 97 20.088 -22.037 2.619 1.00 33.14 N ATOM 1475 CA GLY A 97 19.836 -20.795 1.912 1.00 74.42 C ATOM 1476 C GLY A 97 18.459 -20.232 2.202 1.00 13.01 C ATOM 1477 O GLY A 97 17.838 -19.614 1.337 1.00 24.50 O ATOM 0 H GLY A 97 20.226 -21.937 3.625 1.00 33.14 H new ATOM 0 HA2 GLY A 97 20.592 -20.061 2.192 1.00 74.42 H new ATOM 0 HA3 GLY A 97 19.938 -20.964 0.840 1.00 74.42 H new ATOM 1481 N ALA A 98 17.979 -20.446 3.423 1.00 74.23 N ATOM 1482 CA ALA A 98 16.666 -19.955 3.825 1.00 45.14 C ATOM 1483 C ALA A 98 16.786 -18.910 4.929 1.00 21.53 C ATOM 1484 O ALA A 98 17.737 -18.925 5.711 1.00 21.31 O ATOM 1485 CB ALA A 98 15.787 -21.110 4.281 1.00 44.03 C ATOM 0 H ALA A 98 18.480 -20.956 4.151 1.00 74.23 H new ATOM 0 HA ALA A 98 16.202 -19.480 2.960 1.00 45.14 H new ATOM 0 HB1 ALA A 98 14.810 -20.729 4.578 1.00 44.03 H new ATOM 0 HB2 ALA A 98 15.666 -21.820 3.463 1.00 44.03 H new ATOM 0 HB3 ALA A 98 16.254 -21.610 5.129 1.00 44.03 H new ATOM 1491 N PHE A 99 15.816 -18.004 4.988 1.00 61.12 N ATOM 1492 CA PHE A 99 15.814 -16.951 5.996 1.00 11.41 C ATOM 1493 C PHE A 99 15.383 -17.498 7.354 1.00 64.22 C ATOM 1494 O PHE A 99 14.617 -18.459 7.433 1.00 2.42 O ATOM 1495 CB PHE A 99 14.882 -15.813 5.574 1.00 71.03 C ATOM 1496 CG PHE A 99 14.548 -14.866 6.690 1.00 10.34 C ATOM 1497 CD1 PHE A 99 15.389 -13.807 6.993 1.00 11.21 C ATOM 1498 CD2 PHE A 99 13.393 -15.034 7.437 1.00 10.30 C ATOM 1499 CE1 PHE A 99 15.084 -12.934 8.021 1.00 62.34 C ATOM 1500 CE2 PHE A 99 13.083 -14.164 8.466 1.00 52.14 C ATOM 1501 CZ PHE A 99 13.929 -13.112 8.757 1.00 62.20 C ATOM 0 H PHE A 99 15.021 -17.978 4.349 1.00 61.12 H new ATOM 0 HA PHE A 99 16.830 -16.566 6.084 1.00 11.41 H new ATOM 0 HB2 PHE A 99 15.348 -15.255 4.762 1.00 71.03 H new ATOM 0 HB3 PHE A 99 13.959 -16.238 5.180 1.00 71.03 H new ATOM 0 HD1 PHE A 99 16.293 -13.662 6.420 1.00 11.21 H new ATOM 0 HD2 PHE A 99 12.727 -15.854 7.213 1.00 10.30 H new ATOM 0 HE1 PHE A 99 15.749 -12.114 8.248 1.00 62.34 H new ATOM 0 HE2 PHE A 99 12.180 -14.307 9.041 1.00 52.14 H new ATOM 0 HZ PHE A 99 13.688 -12.430 9.559 1.00 62.20 H new ATOM 1511 N ASP A 100 15.882 -16.881 8.419 1.00 44.11 N ATOM 1512 CA ASP A 100 15.550 -17.305 9.774 1.00 31.00 C ATOM 1513 C ASP A 100 14.060 -17.606 9.899 1.00 14.21 C ATOM 1514 O ASP A 100 13.227 -16.700 9.856 1.00 3.53 O ATOM 1515 CB ASP A 100 15.952 -16.227 10.782 1.00 54.22 C ATOM 1516 CG ASP A 100 15.890 -16.721 12.214 1.00 50.03 C ATOM 1517 OD1 ASP A 100 15.226 -17.750 12.459 1.00 62.35 O ATOM 1518 OD2 ASP A 100 16.506 -16.079 13.089 1.00 2.14 O ATOM 0 H ASP A 100 16.518 -16.085 8.370 1.00 44.11 H new ATOM 0 HA ASP A 100 16.106 -18.217 9.989 1.00 31.00 H new ATOM 0 HB2 ASP A 100 16.964 -15.887 10.562 1.00 54.22 H new ATOM 0 HB3 ASP A 100 15.294 -15.365 10.669 1.00 54.22 H new ATOM 1523 N TYR A 101 13.730 -18.883 10.053 1.00 62.55 N ATOM 1524 CA TYR A 101 12.340 -19.304 10.180 1.00 20.31 C ATOM 1525 C TYR A 101 11.703 -18.707 11.431 1.00 33.41 C ATOM 1526 O TYR A 101 12.338 -17.949 12.165 1.00 62.02 O ATOM 1527 CB TYR A 101 12.250 -20.831 10.227 1.00 54.42 C ATOM 1528 CG TYR A 101 13.249 -21.468 11.165 1.00 65.02 C ATOM 1529 CD1 TYR A 101 13.311 -21.098 12.503 1.00 40.15 C ATOM 1530 CD2 TYR A 101 14.132 -22.441 10.713 1.00 23.53 C ATOM 1531 CE1 TYR A 101 14.224 -21.677 13.363 1.00 75.13 C ATOM 1532 CE2 TYR A 101 15.047 -23.027 11.567 1.00 62.33 C ATOM 1533 CZ TYR A 101 15.089 -22.641 12.890 1.00 23.43 C ATOM 1534 OH TYR A 101 15.999 -23.222 13.744 1.00 12.13 O ATOM 0 H TYR A 101 14.407 -19.645 10.093 1.00 62.55 H new ATOM 0 HA TYR A 101 11.795 -18.941 9.308 1.00 20.31 H new ATOM 0 HB2 TYR A 101 11.244 -21.118 10.532 1.00 54.42 H new ATOM 0 HB3 TYR A 101 12.404 -21.227 9.223 1.00 54.42 H new ATOM 0 HD1 TYR A 101 12.634 -20.345 12.877 1.00 40.15 H new ATOM 0 HD2 TYR A 101 14.103 -22.744 9.677 1.00 23.53 H new ATOM 0 HE1 TYR A 101 14.260 -21.376 14.400 1.00 75.13 H new ATOM 0 HE2 TYR A 101 15.725 -23.783 11.200 1.00 62.33 H new ATOM 0 HH TYR A 101 15.632 -23.236 14.653 1.00 12.13 H new ATOM 1544 N LEU A 102 10.443 -19.055 11.669 1.00 71.54 N ATOM 1545 CA LEU A 102 9.717 -18.556 12.831 1.00 3.34 C ATOM 1546 C LEU A 102 8.864 -19.655 13.454 1.00 34.45 C ATOM 1547 O LEU A 102 7.862 -20.094 12.888 1.00 1.22 O ATOM 1548 CB LEU A 102 8.834 -17.371 12.435 1.00 20.25 C ATOM 1549 CG LEU A 102 7.671 -17.057 13.377 1.00 3.34 C ATOM 1550 CD1 LEU A 102 8.181 -16.421 14.661 1.00 4.42 C ATOM 1551 CD2 LEU A 102 6.662 -16.146 12.693 1.00 20.13 C ATOM 0 H LEU A 102 9.903 -19.681 11.072 1.00 71.54 H new ATOM 0 HA LEU A 102 10.447 -18.226 13.570 1.00 3.34 H new ATOM 0 HB2 LEU A 102 9.463 -16.484 12.359 1.00 20.25 H new ATOM 0 HB3 LEU A 102 8.429 -17.561 11.441 1.00 20.25 H new ATOM 0 HG LEU A 102 7.172 -17.992 13.632 1.00 3.34 H new ATOM 0 HD11 LEU A 102 7.339 -16.205 15.319 1.00 4.42 H new ATOM 0 HD12 LEU A 102 8.865 -17.107 15.160 1.00 4.42 H new ATOM 0 HD13 LEU A 102 8.705 -15.495 14.425 1.00 4.42 H new ATOM 0 HD21 LEU A 102 5.841 -15.933 13.378 1.00 20.13 H new ATOM 0 HD22 LEU A 102 7.149 -15.213 12.408 1.00 20.13 H new ATOM 0 HD23 LEU A 102 6.272 -16.639 11.802 1.00 20.13 H new ATOM 1563 N PRO A 103 9.266 -20.112 14.650 1.00 41.41 N ATOM 1564 CA PRO A 103 8.550 -21.164 15.378 1.00 43.24 C ATOM 1565 C PRO A 103 7.200 -20.689 15.904 1.00 61.23 C ATOM 1566 O PRO A 103 7.067 -19.558 16.372 1.00 61.31 O ATOM 1567 CB PRO A 103 9.491 -21.494 16.539 1.00 32.32 C ATOM 1568 CG PRO A 103 10.290 -20.254 16.744 1.00 13.25 C ATOM 1569 CD PRO A 103 10.450 -19.635 15.384 1.00 45.15 C ATOM 0 HA PRO A 103 8.321 -22.018 14.741 1.00 43.24 H new ATOM 0 HB2 PRO A 103 8.933 -21.759 17.437 1.00 32.32 H new ATOM 0 HB3 PRO A 103 10.132 -22.343 16.300 1.00 32.32 H new ATOM 0 HG2 PRO A 103 9.783 -19.572 17.426 1.00 13.25 H new ATOM 0 HG3 PRO A 103 11.260 -20.483 17.185 1.00 13.25 H new ATOM 0 HD2 PRO A 103 10.477 -18.547 15.439 1.00 45.15 H new ATOM 0 HD3 PRO A 103 11.375 -19.953 14.904 1.00 45.15 H new ATOM 1577 N LYS A 104 6.200 -21.560 15.824 1.00 20.34 N ATOM 1578 CA LYS A 104 4.859 -21.232 16.294 1.00 4.31 C ATOM 1579 C LYS A 104 4.564 -21.922 17.622 1.00 74.02 C ATOM 1580 O LYS A 104 5.066 -23.009 17.909 1.00 13.23 O ATOM 1581 CB LYS A 104 3.817 -21.641 15.251 1.00 12.42 C ATOM 1582 CG LYS A 104 3.261 -20.472 14.456 1.00 45.04 C ATOM 1583 CD LYS A 104 2.192 -20.923 13.475 1.00 15.14 C ATOM 1584 CE LYS A 104 1.006 -21.549 14.194 1.00 53.43 C ATOM 1585 NZ LYS A 104 0.801 -22.968 13.793 1.00 20.34 N ATOM 0 H LYS A 104 6.293 -22.499 15.438 1.00 20.34 H new ATOM 0 HA LYS A 104 4.808 -20.154 16.446 1.00 4.31 H new ATOM 0 HB2 LYS A 104 4.266 -22.357 14.563 1.00 12.42 H new ATOM 0 HB3 LYS A 104 2.995 -22.153 15.752 1.00 12.42 H new ATOM 0 HG2 LYS A 104 2.841 -19.733 15.139 1.00 45.04 H new ATOM 0 HG3 LYS A 104 4.070 -19.982 13.914 1.00 45.04 H new ATOM 0 HD2 LYS A 104 1.854 -20.070 12.886 1.00 15.14 H new ATOM 0 HD3 LYS A 104 2.618 -21.644 12.777 1.00 15.14 H new ATOM 0 HE2 LYS A 104 1.165 -21.495 15.271 1.00 53.43 H new ATOM 0 HE3 LYS A 104 0.105 -20.976 13.975 1.00 53.43 H new ATOM 0 HZ1 LYS A 104 0.074 -23.399 14.399 1.00 20.34 H new ATOM 0 HZ2 LYS A 104 0.492 -23.007 12.801 1.00 20.34 H new ATOM 0 HZ3 LYS A 104 1.694 -23.491 13.898 1.00 20.34 H new ATOM 1599 N PRO A 105 3.728 -21.279 18.451 1.00 41.11 N ATOM 1600 CA PRO A 105 3.125 -19.985 18.120 1.00 51.43 C ATOM 1601 C PRO A 105 4.147 -18.853 18.114 1.00 20.11 C ATOM 1602 O PRO A 105 5.328 -19.068 18.388 1.00 31.41 O ATOM 1603 CB PRO A 105 2.100 -19.774 19.238 1.00 65.35 C ATOM 1604 CG PRO A 105 2.619 -20.575 20.382 1.00 0.41 C ATOM 1605 CD PRO A 105 3.309 -21.766 19.776 1.00 54.51 C ATOM 0 HA PRO A 105 2.692 -19.982 17.120 1.00 51.43 H new ATOM 0 HB2 PRO A 105 2.011 -18.720 19.500 1.00 65.35 H new ATOM 0 HB3 PRO A 105 1.109 -20.112 18.935 1.00 65.35 H new ATOM 0 HG2 PRO A 105 3.311 -19.989 20.986 1.00 0.41 H new ATOM 0 HG3 PRO A 105 1.808 -20.887 21.040 1.00 0.41 H new ATOM 0 HD2 PRO A 105 4.162 -22.084 20.375 1.00 54.51 H new ATOM 0 HD3 PRO A 105 2.638 -22.622 19.696 1.00 54.51 H new ATOM 1613 N PHE A 106 3.686 -17.647 17.801 1.00 52.22 N ATOM 1614 CA PHE A 106 4.561 -16.481 17.759 1.00 14.12 C ATOM 1615 C PHE A 106 3.770 -15.198 18.000 1.00 34.50 C ATOM 1616 O PHE A 106 2.544 -15.224 18.112 1.00 72.23 O ATOM 1617 CB PHE A 106 5.280 -16.404 16.411 1.00 73.32 C ATOM 1618 CG PHE A 106 4.347 -16.409 15.233 1.00 25.31 C ATOM 1619 CD1 PHE A 106 3.513 -15.330 14.989 1.00 63.34 C ATOM 1620 CD2 PHE A 106 4.306 -17.493 14.370 1.00 13.44 C ATOM 1621 CE1 PHE A 106 2.654 -15.333 13.906 1.00 0.21 C ATOM 1622 CE2 PHE A 106 3.449 -17.501 13.286 1.00 53.41 C ATOM 1623 CZ PHE A 106 2.623 -16.419 13.053 1.00 14.30 C ATOM 0 H PHE A 106 2.711 -17.451 17.573 1.00 52.22 H new ATOM 0 HA PHE A 106 5.301 -16.585 18.552 1.00 14.12 H new ATOM 0 HB2 PHE A 106 5.884 -15.497 16.382 1.00 73.32 H new ATOM 0 HB3 PHE A 106 5.966 -17.247 16.325 1.00 73.32 H new ATOM 0 HD1 PHE A 106 3.534 -14.478 15.652 1.00 63.34 H new ATOM 0 HD2 PHE A 106 4.951 -18.341 14.547 1.00 13.44 H new ATOM 0 HE1 PHE A 106 2.007 -14.487 13.727 1.00 0.21 H new ATOM 0 HE2 PHE A 106 3.425 -18.352 12.622 1.00 53.41 H new ATOM 0 HZ PHE A 106 1.954 -16.422 12.205 1.00 14.30 H new ATOM 1633 N ASP A 107 4.480 -14.079 18.079 1.00 12.34 N ATOM 1634 CA ASP A 107 3.845 -12.785 18.307 1.00 64.45 C ATOM 1635 C ASP A 107 3.629 -12.047 16.989 1.00 21.41 C ATOM 1636 O ASP A 107 4.587 -11.649 16.325 1.00 13.02 O ATOM 1637 CB ASP A 107 4.698 -11.934 19.249 1.00 53.34 C ATOM 1638 CG ASP A 107 4.681 -12.453 20.673 1.00 40.31 C ATOM 1639 OD1 ASP A 107 4.500 -13.674 20.857 1.00 65.44 O ATOM 1640 OD2 ASP A 107 4.848 -11.637 21.604 1.00 14.10 O ATOM 0 H ASP A 107 5.495 -14.041 17.989 1.00 12.34 H new ATOM 0 HA ASP A 107 2.873 -12.960 18.768 1.00 64.45 H new ATOM 0 HB2 ASP A 107 5.725 -11.913 18.885 1.00 53.34 H new ATOM 0 HB3 ASP A 107 4.334 -10.907 19.235 1.00 53.34 H new ATOM 1645 N ILE A 108 2.366 -11.870 16.617 1.00 41.03 N ATOM 1646 CA ILE A 108 2.025 -11.180 15.379 1.00 71.12 C ATOM 1647 C ILE A 108 2.823 -9.890 15.231 1.00 44.54 C ATOM 1648 O ILE A 108 3.195 -9.501 14.123 1.00 23.30 O ATOM 1649 CB ILE A 108 0.522 -10.851 15.314 1.00 52.13 C ATOM 1650 CG1 ILE A 108 -0.283 -12.107 14.974 1.00 54.34 C ATOM 1651 CG2 ILE A 108 0.263 -9.756 14.290 1.00 43.14 C ATOM 1652 CD1 ILE A 108 -1.690 -12.091 15.529 1.00 33.31 C ATOM 0 H ILE A 108 1.562 -12.195 17.155 1.00 41.03 H new ATOM 0 HA ILE A 108 2.277 -11.856 14.561 1.00 71.12 H new ATOM 0 HB ILE A 108 0.202 -10.490 16.291 1.00 52.13 H new ATOM 0 HG12 ILE A 108 -0.330 -12.217 13.891 1.00 54.34 H new ATOM 0 HG13 ILE A 108 0.242 -12.981 15.361 1.00 54.34 H new ATOM 0 HG21 ILE A 108 -0.804 -9.535 14.256 1.00 43.14 H new ATOM 0 HG22 ILE A 108 0.811 -8.857 14.572 1.00 43.14 H new ATOM 0 HG23 ILE A 108 0.596 -10.091 13.307 1.00 43.14 H new ATOM 0 HD11 ILE A 108 -2.202 -13.012 15.249 1.00 33.31 H new ATOM 0 HD12 ILE A 108 -1.652 -12.013 16.616 1.00 33.31 H new ATOM 0 HD13 ILE A 108 -2.232 -11.237 15.123 1.00 33.31 H new ATOM 1664 N ASP A 109 3.085 -9.230 16.354 1.00 61.13 N ATOM 1665 CA ASP A 109 3.843 -7.984 16.350 1.00 54.01 C ATOM 1666 C ASP A 109 5.224 -8.190 15.736 1.00 52.45 C ATOM 1667 O ASP A 109 5.691 -7.368 14.947 1.00 34.40 O ATOM 1668 CB ASP A 109 3.980 -7.441 17.773 1.00 35.22 C ATOM 1669 CG ASP A 109 4.231 -5.946 17.801 1.00 21.41 C ATOM 1670 OD1 ASP A 109 3.777 -5.250 16.869 1.00 74.42 O ATOM 1671 OD2 ASP A 109 4.882 -5.472 18.756 1.00 72.45 O ATOM 0 H ASP A 109 2.784 -9.537 17.279 1.00 61.13 H new ATOM 0 HA ASP A 109 3.300 -7.259 15.744 1.00 54.01 H new ATOM 0 HB2 ASP A 109 3.072 -7.664 18.333 1.00 35.22 H new ATOM 0 HB3 ASP A 109 4.799 -7.953 18.277 1.00 35.22 H new ATOM 1676 N GLU A 110 5.872 -9.290 16.104 1.00 71.33 N ATOM 1677 CA GLU A 110 7.200 -9.602 15.590 1.00 44.23 C ATOM 1678 C GLU A 110 7.115 -10.205 14.191 1.00 51.14 C ATOM 1679 O GLU A 110 8.031 -10.057 13.382 1.00 20.14 O ATOM 1680 CB GLU A 110 7.922 -10.569 16.531 1.00 52.13 C ATOM 1681 CG GLU A 110 9.383 -10.220 16.759 1.00 12.44 C ATOM 1682 CD GLU A 110 10.323 -11.067 15.925 1.00 71.44 C ATOM 1683 OE1 GLU A 110 10.075 -12.286 15.807 1.00 41.14 O ATOM 1684 OE2 GLU A 110 11.306 -10.513 15.390 1.00 73.22 O ATOM 0 H GLU A 110 5.499 -9.980 16.756 1.00 71.33 H new ATOM 0 HA GLU A 110 7.766 -8.672 15.532 1.00 44.23 H new ATOM 0 HB2 GLU A 110 7.406 -10.581 17.491 1.00 52.13 H new ATOM 0 HB3 GLU A 110 7.858 -11.577 16.122 1.00 52.13 H new ATOM 0 HG2 GLU A 110 9.542 -9.168 16.523 1.00 12.44 H new ATOM 0 HG3 GLU A 110 9.623 -10.350 17.814 1.00 12.44 H new ATOM 1691 N ALA A 111 6.008 -10.886 13.913 1.00 53.42 N ATOM 1692 CA ALA A 111 5.801 -11.510 12.612 1.00 20.11 C ATOM 1693 C ALA A 111 5.638 -10.460 11.519 1.00 42.24 C ATOM 1694 O ALA A 111 6.371 -10.461 10.529 1.00 55.40 O ATOM 1695 CB ALA A 111 4.586 -12.425 12.653 1.00 61.00 C ATOM 0 H ALA A 111 5.241 -11.020 14.572 1.00 53.42 H new ATOM 0 HA ALA A 111 6.683 -12.106 12.378 1.00 20.11 H new ATOM 0 HB1 ALA A 111 4.443 -12.884 11.675 1.00 61.00 H new ATOM 0 HB2 ALA A 111 4.742 -13.203 13.400 1.00 61.00 H new ATOM 0 HB3 ALA A 111 3.701 -11.844 12.913 1.00 61.00 H new ATOM 1701 N VAL A 112 4.673 -9.565 11.703 1.00 12.21 N ATOM 1702 CA VAL A 112 4.414 -8.508 10.732 1.00 20.32 C ATOM 1703 C VAL A 112 5.695 -7.761 10.378 1.00 20.33 C ATOM 1704 O VAL A 112 5.871 -7.312 9.246 1.00 21.13 O ATOM 1705 CB VAL A 112 3.375 -7.502 11.262 1.00 43.35 C ATOM 1706 CG1 VAL A 112 3.396 -6.227 10.432 1.00 51.11 C ATOM 1707 CG2 VAL A 112 1.987 -8.122 11.266 1.00 75.52 C ATOM 0 H VAL A 112 4.057 -9.551 12.516 1.00 12.21 H new ATOM 0 HA VAL A 112 4.019 -8.989 9.837 1.00 20.32 H new ATOM 0 HB VAL A 112 3.635 -7.244 12.289 1.00 43.35 H new ATOM 0 HG11 VAL A 112 2.656 -5.528 10.821 1.00 51.11 H new ATOM 0 HG12 VAL A 112 4.386 -5.774 10.486 1.00 51.11 H new ATOM 0 HG13 VAL A 112 3.161 -6.464 9.394 1.00 51.11 H new ATOM 0 HG21 VAL A 112 1.266 -7.397 11.643 1.00 75.52 H new ATOM 0 HG22 VAL A 112 1.714 -8.410 10.251 1.00 75.52 H new ATOM 0 HG23 VAL A 112 1.984 -9.004 11.907 1.00 75.52 H new ATOM 1717 N ALA A 113 6.587 -7.633 11.355 1.00 44.33 N ATOM 1718 CA ALA A 113 7.854 -6.942 11.146 1.00 61.31 C ATOM 1719 C ALA A 113 8.899 -7.880 10.550 1.00 54.12 C ATOM 1720 O ALA A 113 9.800 -7.445 9.832 1.00 63.40 O ATOM 1721 CB ALA A 113 8.357 -6.354 12.456 1.00 54.21 C ATOM 0 H ALA A 113 6.456 -7.998 12.298 1.00 44.33 H new ATOM 0 HA ALA A 113 7.685 -6.131 10.438 1.00 61.31 H new ATOM 0 HB1 ALA A 113 9.304 -5.841 12.285 1.00 54.21 H new ATOM 0 HB2 ALA A 113 7.625 -5.645 12.842 1.00 54.21 H new ATOM 0 HB3 ALA A 113 8.504 -7.154 13.181 1.00 54.21 H new ATOM 1727 N LEU A 114 8.772 -9.167 10.852 1.00 70.33 N ATOM 1728 CA LEU A 114 9.706 -10.167 10.346 1.00 60.21 C ATOM 1729 C LEU A 114 9.626 -10.268 8.826 1.00 75.00 C ATOM 1730 O LEU A 114 10.647 -10.360 8.144 1.00 14.34 O ATOM 1731 CB LEU A 114 9.414 -11.531 10.975 1.00 43.30 C ATOM 1732 CG LEU A 114 10.278 -12.694 10.486 1.00 32.11 C ATOM 1733 CD1 LEU A 114 11.664 -12.628 11.107 1.00 3.44 C ATOM 1734 CD2 LEU A 114 9.611 -14.024 10.806 1.00 63.22 C ATOM 0 H LEU A 114 8.032 -9.543 11.445 1.00 70.33 H new ATOM 0 HA LEU A 114 10.715 -9.856 10.618 1.00 60.21 H new ATOM 0 HB2 LEU A 114 9.534 -11.444 12.055 1.00 43.30 H new ATOM 0 HB3 LEU A 114 8.369 -11.778 10.790 1.00 43.30 H new ATOM 0 HG LEU A 114 10.384 -12.613 9.404 1.00 32.11 H new ATOM 0 HD11 LEU A 114 12.264 -13.464 10.747 1.00 3.44 H new ATOM 0 HD12 LEU A 114 12.144 -11.690 10.828 1.00 3.44 H new ATOM 0 HD13 LEU A 114 11.579 -12.683 12.192 1.00 3.44 H new ATOM 0 HD21 LEU A 114 10.239 -14.841 10.451 1.00 63.22 H new ATOM 0 HD22 LEU A 114 9.475 -14.113 11.884 1.00 63.22 H new ATOM 0 HD23 LEU A 114 8.640 -14.072 10.313 1.00 63.22 H new ATOM 1746 N VAL A 115 8.405 -10.248 8.301 1.00 73.35 N ATOM 1747 CA VAL A 115 8.190 -10.334 6.861 1.00 65.11 C ATOM 1748 C VAL A 115 8.748 -9.107 6.148 1.00 21.13 C ATOM 1749 O VAL A 115 9.325 -9.215 5.067 1.00 42.41 O ATOM 1750 CB VAL A 115 6.694 -10.474 6.523 1.00 22.44 C ATOM 1751 CG1 VAL A 115 5.895 -9.348 7.161 1.00 31.31 C ATOM 1752 CG2 VAL A 115 6.488 -10.498 5.016 1.00 24.34 C ATOM 0 H VAL A 115 7.549 -10.173 8.851 1.00 73.35 H new ATOM 0 HA VAL A 115 8.717 -11.223 6.515 1.00 65.11 H new ATOM 0 HB VAL A 115 6.334 -11.419 6.930 1.00 22.44 H new ATOM 0 HG11 VAL A 115 4.840 -9.463 6.911 1.00 31.31 H new ATOM 0 HG12 VAL A 115 6.018 -9.383 8.244 1.00 31.31 H new ATOM 0 HG13 VAL A 115 6.254 -8.389 6.786 1.00 31.31 H new ATOM 0 HG21 VAL A 115 5.425 -10.597 4.796 1.00 24.34 H new ATOM 0 HG22 VAL A 115 6.863 -9.571 4.583 1.00 24.34 H new ATOM 0 HG23 VAL A 115 7.028 -11.343 4.588 1.00 24.34 H new ATOM 1762 N GLU A 116 8.572 -7.941 6.763 1.00 74.53 N ATOM 1763 CA GLU A 116 9.057 -6.693 6.186 1.00 64.40 C ATOM 1764 C GLU A 116 10.572 -6.731 6.005 1.00 2.14 C ATOM 1765 O GLU A 116 11.122 -6.051 5.139 1.00 54.24 O ATOM 1766 CB GLU A 116 8.668 -5.510 7.074 1.00 52.32 C ATOM 1767 CG GLU A 116 7.446 -4.754 6.579 1.00 42.22 C ATOM 1768 CD GLU A 116 7.316 -3.380 7.207 1.00 2.20 C ATOM 1769 OE1 GLU A 116 7.255 -3.301 8.452 1.00 5.10 O ATOM 1770 OE2 GLU A 116 7.275 -2.384 6.455 1.00 72.24 O ATOM 0 H GLU A 116 8.098 -7.835 7.660 1.00 74.53 H new ATOM 0 HA GLU A 116 8.594 -6.570 5.207 1.00 64.40 H new ATOM 0 HB2 GLU A 116 8.476 -5.872 8.084 1.00 52.32 H new ATOM 0 HB3 GLU A 116 9.510 -4.821 7.137 1.00 52.32 H new ATOM 0 HG2 GLU A 116 7.502 -4.650 5.495 1.00 42.22 H new ATOM 0 HG3 GLU A 116 6.550 -5.336 6.798 1.00 42.22 H new ATOM 1777 N ARG A 117 11.241 -7.530 6.830 1.00 10.24 N ATOM 1778 CA ARG A 117 12.692 -7.655 6.764 1.00 71.13 C ATOM 1779 C ARG A 117 13.114 -8.435 5.522 1.00 52.55 C ATOM 1780 O ARG A 117 14.225 -8.267 5.019 1.00 34.12 O ATOM 1781 CB ARG A 117 13.224 -8.349 8.019 1.00 15.02 C ATOM 1782 CG ARG A 117 14.665 -8.813 7.894 1.00 25.22 C ATOM 1783 CD ARG A 117 15.429 -8.616 9.195 1.00 72.34 C ATOM 1784 NE ARG A 117 15.752 -7.212 9.433 1.00 53.05 N ATOM 1785 CZ ARG A 117 16.642 -6.804 10.330 1.00 31.53 C ATOM 1786 NH1 ARG A 117 17.295 -7.690 11.071 1.00 53.24 N ATOM 1787 NH2 ARG A 117 16.881 -5.509 10.489 1.00 41.15 N ATOM 0 H ARG A 117 10.801 -8.101 7.552 1.00 10.24 H new ATOM 0 HA ARG A 117 13.115 -6.652 6.705 1.00 71.13 H new ATOM 0 HB2 ARG A 117 13.144 -7.665 8.864 1.00 15.02 H new ATOM 0 HB3 ARG A 117 12.593 -9.209 8.244 1.00 15.02 H new ATOM 0 HG2 ARG A 117 14.686 -9.866 7.614 1.00 25.22 H new ATOM 0 HG3 ARG A 117 15.158 -8.261 7.094 1.00 25.22 H new ATOM 0 HD2 ARG A 117 14.835 -8.997 10.026 1.00 72.34 H new ATOM 0 HD3 ARG A 117 16.349 -9.200 9.167 1.00 72.34 H new ATOM 0 HE ARG A 117 15.267 -6.506 8.880 1.00 53.05 H new ATOM 0 HH11 ARG A 117 17.114 -8.687 10.952 1.00 53.24 H new ATOM 0 HH12 ARG A 117 17.978 -7.374 11.759 1.00 53.24 H new ATOM 0 HH21 ARG A 117 16.381 -4.825 9.922 1.00 41.15 H new ATOM 0 HH22 ARG A 117 17.565 -5.198 11.179 1.00 41.15 H new ATOM 1801 N ALA A 118 12.219 -9.287 5.032 1.00 3.11 N ATOM 1802 CA ALA A 118 12.498 -10.091 3.849 1.00 40.25 C ATOM 1803 C ALA A 118 12.213 -9.306 2.572 1.00 25.14 C ATOM 1804 O ALA A 118 12.894 -9.480 1.561 1.00 72.31 O ATOM 1805 CB ALA A 118 11.679 -11.372 3.876 1.00 35.51 C ATOM 0 H ALA A 118 11.295 -9.438 5.436 1.00 3.11 H new ATOM 0 HA ALA A 118 13.557 -10.349 3.858 1.00 40.25 H new ATOM 0 HB1 ALA A 118 11.898 -11.962 2.986 1.00 35.51 H new ATOM 0 HB2 ALA A 118 11.934 -11.948 4.766 1.00 35.51 H new ATOM 0 HB3 ALA A 118 10.618 -11.125 3.896 1.00 35.51 H new ATOM 1811 N ILE A 119 11.205 -8.443 2.627 1.00 74.14 N ATOM 1812 CA ILE A 119 10.831 -7.632 1.475 1.00 42.14 C ATOM 1813 C ILE A 119 11.687 -6.373 1.388 1.00 3.11 C ATOM 1814 O ILE A 119 12.244 -6.059 0.336 1.00 73.42 O ATOM 1815 CB ILE A 119 9.346 -7.227 1.529 1.00 3.40 C ATOM 1816 CG1 ILE A 119 8.454 -8.467 1.458 1.00 74.22 C ATOM 1817 CG2 ILE A 119 9.018 -6.265 0.397 1.00 71.35 C ATOM 1818 CD1 ILE A 119 7.040 -8.222 1.936 1.00 33.44 C ATOM 0 H ILE A 119 10.633 -8.287 3.457 1.00 74.14 H new ATOM 0 HA ILE A 119 11.000 -8.245 0.590 1.00 42.14 H new ATOM 0 HB ILE A 119 9.157 -6.721 2.476 1.00 3.40 H new ATOM 0 HG12 ILE A 119 8.424 -8.825 0.429 1.00 74.22 H new ATOM 0 HG13 ILE A 119 8.900 -9.260 2.058 1.00 74.22 H new ATOM 0 HG21 ILE A 119 7.965 -5.988 0.449 1.00 71.35 H new ATOM 0 HG22 ILE A 119 9.634 -5.370 0.490 1.00 71.35 H new ATOM 0 HG23 ILE A 119 9.220 -6.747 -0.560 1.00 71.35 H new ATOM 0 HD11 ILE A 119 6.464 -9.144 1.858 1.00 33.44 H new ATOM 0 HD12 ILE A 119 7.059 -7.893 2.975 1.00 33.44 H new ATOM 0 HD13 ILE A 119 6.576 -7.451 1.320 1.00 33.44 H new ATOM 1830 N SER A 120 11.790 -5.656 2.503 1.00 53.24 N ATOM 1831 CA SER A 120 12.577 -4.429 2.553 1.00 71.33 C ATOM 1832 C SER A 120 14.030 -4.701 2.176 1.00 3.23 C ATOM 1833 O SER A 120 14.756 -3.796 1.762 1.00 31.10 O ATOM 1834 CB SER A 120 12.507 -3.810 3.950 1.00 62.20 C ATOM 1835 OG SER A 120 12.823 -2.429 3.912 1.00 21.33 O ATOM 0 H SER A 120 11.338 -5.904 3.383 1.00 53.24 H new ATOM 0 HA SER A 120 12.158 -3.727 1.832 1.00 71.33 H new ATOM 0 HB2 SER A 120 11.507 -3.946 4.362 1.00 62.20 H new ATOM 0 HB3 SER A 120 13.199 -4.327 4.615 1.00 62.20 H new ATOM 0 HG SER A 120 12.770 -2.056 4.817 1.00 21.33 H new ATOM 1841 N HIS A 121 14.449 -5.954 2.324 1.00 50.25 N ATOM 1842 CA HIS A 121 15.816 -6.346 1.999 1.00 73.32 C ATOM 1843 C HIS A 121 16.152 -5.997 0.552 1.00 21.02 C ATOM 1844 O HIS A 121 17.319 -5.824 0.200 1.00 3.03 O ATOM 1845 CB HIS A 121 16.007 -7.845 2.232 1.00 63.34 C ATOM 1846 CG HIS A 121 17.438 -8.284 2.162 1.00 35.20 C ATOM 1847 ND1 HIS A 121 17.980 -8.910 1.060 1.00 71.34 N ATOM 1848 CD2 HIS A 121 18.440 -8.183 3.066 1.00 13.22 C ATOM 1849 CE1 HIS A 121 19.253 -9.177 1.289 1.00 3.44 C ATOM 1850 NE2 HIS A 121 19.557 -8.745 2.500 1.00 4.20 N ATOM 0 H HIS A 121 13.862 -6.715 2.667 1.00 50.25 H new ATOM 0 HA HIS A 121 16.492 -5.795 2.653 1.00 73.32 H new ATOM 0 HB2 HIS A 121 15.602 -8.107 3.210 1.00 63.34 H new ATOM 0 HB3 HIS A 121 15.430 -8.396 1.490 1.00 63.34 H new ATOM 0 HD1 HIS A 121 17.476 -9.132 0.201 1.00 71.34 H new ATOM 0 HD2 HIS A 121 18.373 -7.742 4.050 1.00 13.22 H new ATOM 0 HE1 HIS A 121 19.930 -9.665 0.603 1.00 3.44 H new ATOM 1858 N TYR A 122 15.123 -5.896 -0.281 1.00 50.14 N ATOM 1859 CA TYR A 122 15.310 -5.571 -1.690 1.00 53.44 C ATOM 1860 C TYR A 122 14.839 -4.150 -1.989 1.00 31.53 C ATOM 1861 O TYR A 122 15.481 -3.418 -2.741 1.00 11.12 O ATOM 1862 CB TYR A 122 14.552 -6.566 -2.570 1.00 60.51 C ATOM 1863 CG TYR A 122 14.715 -8.005 -2.135 1.00 22.21 C ATOM 1864 CD1 TYR A 122 15.918 -8.676 -2.323 1.00 34.13 C ATOM 1865 CD2 TYR A 122 13.667 -8.694 -1.537 1.00 23.11 C ATOM 1866 CE1 TYR A 122 16.071 -9.991 -1.927 1.00 43.13 C ATOM 1867 CE2 TYR A 122 13.812 -10.008 -1.137 1.00 65.41 C ATOM 1868 CZ TYR A 122 15.016 -10.652 -1.335 1.00 21.54 C ATOM 1869 OH TYR A 122 15.164 -11.962 -0.939 1.00 22.10 O ATOM 0 H TYR A 122 14.151 -6.034 -0.005 1.00 50.14 H new ATOM 0 HA TYR A 122 16.375 -5.636 -1.913 1.00 53.44 H new ATOM 0 HB2 TYR A 122 13.492 -6.311 -2.563 1.00 60.51 H new ATOM 0 HB3 TYR A 122 14.897 -6.465 -3.599 1.00 60.51 H new ATOM 0 HD1 TYR A 122 16.747 -8.161 -2.786 1.00 34.13 H new ATOM 0 HD2 TYR A 122 12.723 -8.193 -1.382 1.00 23.11 H new ATOM 0 HE1 TYR A 122 17.012 -10.498 -2.080 1.00 43.13 H new ATOM 0 HE2 TYR A 122 12.988 -10.528 -0.672 1.00 65.41 H new ATOM 0 HH TYR A 122 15.324 -12.525 -1.725 1.00 22.10 H new