USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 ASN : amide:sc= -1.9 K(o=-1.7,f=-1.2!) USER MOD Set 1.2: A 82 THR OG1 : rot -150:sc= 0.179 USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 15 SER OG : rot -21:sc= 0.285 USER MOD Set 3.1: A 3 GLN : amide:sc= 0 X(o=-0.27,f=-0.36) USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.18 (180deg=-0.682) USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.367) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.8!) USER MOD Single : A 20 ASN : amide:sc= -2.47! C(o=-2.5!,f=-2.1!) USER MOD Single : A 25 MET CE :methyl 172:sc= -0.268 (180deg=-0.583) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0.013) USER MOD Single : A 30 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.45) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= -0.0478 (180deg=-0.402) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0356) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00147 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.401 K(o=-0.4,f=-6.4!) USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= -3.03 (180deg=-4.43!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.0473 X(o=-0.047,f=-0.047) USER MOD Single : A 88 THR OG1 : rot 62:sc= 0.907 USER MOD Single : A 91 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.0752 (180deg=-0.309) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.218 1.286 -0.487 1.00 62.21 N ATOM 2 CA MET A 1 2.221 0.594 -1.771 1.00 13.31 C ATOM 3 C MET A 1 3.157 -0.609 -1.738 1.00 62.42 C ATOM 4 O MET A 1 4.259 -0.537 -1.194 1.00 64.03 O ATOM 5 CB MET A 1 2.640 1.551 -2.889 1.00 33.11 C ATOM 6 CG MET A 1 4.036 2.124 -2.707 1.00 71.21 C ATOM 7 SD MET A 1 4.283 3.656 -3.625 1.00 62.44 S ATOM 8 CE MET A 1 6.037 3.920 -3.376 1.00 50.51 C ATOM 0 H1 MET A 1 2.080 2.305 -0.642 1.00 62.21 H new ATOM 0 H2 MET A 1 1.445 0.918 0.104 1.00 62.21 H new ATOM 0 H3 MET A 1 3.126 1.129 -0.006 1.00 62.21 H new ATOM 0 HA MET A 1 1.209 0.239 -1.967 1.00 13.31 H new ATOM 0 HB2 MET A 1 2.593 1.025 -3.843 1.00 33.11 H new ATOM 0 HB3 MET A 1 1.924 2.371 -2.942 1.00 33.11 H new ATOM 0 HG2 MET A 1 4.214 2.307 -1.647 1.00 71.21 H new ATOM 0 HG3 MET A 1 4.772 1.388 -3.031 1.00 71.21 H new ATOM 0 HE1 MET A 1 6.343 4.834 -3.886 1.00 50.51 H new ATOM 0 HE2 MET A 1 6.243 4.013 -2.310 1.00 50.51 H new ATOM 0 HE3 MET A 1 6.593 3.075 -3.781 1.00 50.51 H new ATOM 18 N LYS A 2 2.712 -1.716 -2.323 1.00 72.04 N ATOM 19 CA LYS A 2 3.510 -2.936 -2.363 1.00 13.35 C ATOM 20 C LYS A 2 4.578 -2.853 -3.448 1.00 53.34 C ATOM 21 O LYS A 2 4.364 -3.297 -4.576 1.00 21.01 O ATOM 22 CB LYS A 2 2.611 -4.150 -2.608 1.00 1.10 C ATOM 23 CG LYS A 2 2.032 -4.745 -1.336 1.00 63.32 C ATOM 24 CD LYS A 2 3.104 -5.424 -0.500 1.00 63.33 C ATOM 25 CE LYS A 2 3.337 -6.858 -0.950 1.00 71.53 C ATOM 26 NZ LYS A 2 3.706 -7.744 0.188 1.00 35.35 N ATOM 0 H LYS A 2 1.802 -1.793 -2.777 1.00 72.04 H new ATOM 0 HA LYS A 2 4.006 -3.048 -1.399 1.00 13.35 H new ATOM 0 HB2 LYS A 2 1.794 -3.859 -3.268 1.00 1.10 H new ATOM 0 HB3 LYS A 2 3.184 -4.917 -3.130 1.00 1.10 H new ATOM 0 HG2 LYS A 2 1.555 -3.959 -0.750 1.00 63.32 H new ATOM 0 HG3 LYS A 2 1.256 -5.467 -1.591 1.00 63.32 H new ATOM 0 HD2 LYS A 2 4.035 -4.862 -0.575 1.00 63.33 H new ATOM 0 HD3 LYS A 2 2.809 -5.414 0.549 1.00 63.33 H new ATOM 0 HE2 LYS A 2 2.435 -7.239 -1.429 1.00 71.53 H new ATOM 0 HE3 LYS A 2 4.129 -6.879 -1.698 1.00 71.53 H new ATOM 0 HZ1 LYS A 2 3.404 -8.718 -0.018 1.00 35.35 H new ATOM 0 HZ2 LYS A 2 4.737 -7.723 0.324 1.00 35.35 H new ATOM 0 HZ3 LYS A 2 3.235 -7.411 1.054 1.00 35.35 H new ATOM 40 N GLN A 3 5.727 -2.282 -3.100 1.00 35.42 N ATOM 41 CA GLN A 3 6.827 -2.143 -4.046 1.00 4.33 C ATOM 42 C GLN A 3 7.321 -3.508 -4.512 1.00 23.33 C ATOM 43 O GLN A 3 7.663 -4.367 -3.698 1.00 71.15 O ATOM 44 CB GLN A 3 7.978 -1.361 -3.410 1.00 10.24 C ATOM 45 CG GLN A 3 9.047 -0.936 -4.403 1.00 43.01 C ATOM 46 CD GLN A 3 9.919 0.187 -3.878 1.00 1.45 C ATOM 47 OE1 GLN A 3 9.420 1.234 -3.463 1.00 30.24 O ATOM 48 NE2 GLN A 3 11.230 -0.024 -3.892 1.00 50.21 N ATOM 0 H GLN A 3 5.920 -1.909 -2.171 1.00 35.42 H new ATOM 0 HA GLN A 3 6.459 -1.595 -4.914 1.00 4.33 H new ATOM 0 HB2 GLN A 3 7.576 -0.474 -2.920 1.00 10.24 H new ATOM 0 HB3 GLN A 3 8.437 -1.974 -2.634 1.00 10.24 H new ATOM 0 HG2 GLN A 3 9.674 -1.794 -4.646 1.00 43.01 H new ATOM 0 HG3 GLN A 3 8.570 -0.617 -5.330 1.00 43.01 H new ATOM 0 HE21 GLN A 3 11.601 -0.906 -4.245 1.00 50.21 H new ATOM 0 HE22 GLN A 3 11.866 0.696 -3.550 1.00 50.21 H new ATOM 57 N VAL A 4 7.356 -3.703 -5.826 1.00 43.52 N ATOM 58 CA VAL A 4 7.809 -4.964 -6.401 1.00 2.31 C ATOM 59 C VAL A 4 8.786 -4.726 -7.547 1.00 51.01 C ATOM 60 O VAL A 4 8.580 -3.841 -8.379 1.00 65.21 O ATOM 61 CB VAL A 4 6.625 -5.803 -6.916 1.00 31.22 C ATOM 62 CG1 VAL A 4 7.111 -7.141 -7.451 1.00 25.32 C ATOM 63 CG2 VAL A 4 5.595 -6.003 -5.814 1.00 40.32 C ATOM 0 H VAL A 4 7.076 -3.003 -6.513 1.00 43.52 H new ATOM 0 HA VAL A 4 8.314 -5.512 -5.605 1.00 2.31 H new ATOM 0 HB VAL A 4 6.149 -5.263 -7.734 1.00 31.22 H new ATOM 0 HG11 VAL A 4 6.260 -7.720 -7.810 1.00 25.32 H new ATOM 0 HG12 VAL A 4 7.808 -6.973 -8.272 1.00 25.32 H new ATOM 0 HG13 VAL A 4 7.613 -7.690 -6.655 1.00 25.32 H new ATOM 0 HG21 VAL A 4 4.765 -6.598 -6.195 1.00 40.32 H new ATOM 0 HG22 VAL A 4 6.057 -6.521 -4.974 1.00 40.32 H new ATOM 0 HG23 VAL A 4 5.224 -5.033 -5.482 1.00 40.32 H new ATOM 73 N LEU A 5 9.849 -5.522 -7.585 1.00 40.55 N ATOM 74 CA LEU A 5 10.859 -5.399 -8.631 1.00 1.21 C ATOM 75 C LEU A 5 10.617 -6.413 -9.744 1.00 21.43 C ATOM 76 O LEU A 5 9.757 -7.286 -9.626 1.00 71.22 O ATOM 77 CB LEU A 5 12.257 -5.594 -8.042 1.00 63.40 C ATOM 78 CG LEU A 5 12.790 -4.447 -7.183 1.00 21.45 C ATOM 79 CD1 LEU A 5 14.196 -4.756 -6.692 1.00 61.32 C ATOM 80 CD2 LEU A 5 12.771 -3.142 -7.964 1.00 14.21 C ATOM 0 H LEU A 5 10.034 -6.259 -6.904 1.00 40.55 H new ATOM 0 HA LEU A 5 10.787 -4.398 -9.056 1.00 1.21 H new ATOM 0 HB2 LEU A 5 12.251 -6.501 -7.438 1.00 63.40 H new ATOM 0 HB3 LEU A 5 12.955 -5.761 -8.862 1.00 63.40 H new ATOM 0 HG LEU A 5 12.140 -4.337 -6.315 1.00 21.45 H new ATOM 0 HD11 LEU A 5 14.559 -3.928 -6.082 1.00 61.32 H new ATOM 0 HD12 LEU A 5 14.181 -5.667 -6.094 1.00 61.32 H new ATOM 0 HD13 LEU A 5 14.858 -4.894 -7.547 1.00 61.32 H new ATOM 0 HD21 LEU A 5 13.154 -2.337 -7.337 1.00 14.21 H new ATOM 0 HD22 LEU A 5 13.397 -3.240 -8.851 1.00 14.21 H new ATOM 0 HD23 LEU A 5 11.749 -2.913 -8.265 1.00 14.21 H new ATOM 92 N VAL A 6 11.383 -6.294 -10.823 1.00 43.04 N ATOM 93 CA VAL A 6 11.255 -7.203 -11.956 1.00 53.44 C ATOM 94 C VAL A 6 12.589 -7.380 -12.673 1.00 54.51 C ATOM 95 O VAL A 6 13.051 -6.481 -13.375 1.00 64.24 O ATOM 96 CB VAL A 6 10.206 -6.697 -12.965 1.00 33.52 C ATOM 97 CG1 VAL A 6 10.109 -7.642 -14.153 1.00 42.23 C ATOM 98 CG2 VAL A 6 8.852 -6.537 -12.289 1.00 61.24 C ATOM 0 H VAL A 6 12.099 -5.577 -10.937 1.00 43.04 H new ATOM 0 HA VAL A 6 10.931 -8.164 -11.556 1.00 53.44 H new ATOM 0 HB VAL A 6 10.521 -5.721 -13.333 1.00 33.52 H new ATOM 0 HG11 VAL A 6 9.363 -7.269 -14.855 1.00 42.23 H new ATOM 0 HG12 VAL A 6 11.077 -7.702 -14.650 1.00 42.23 H new ATOM 0 HG13 VAL A 6 9.817 -8.633 -13.806 1.00 42.23 H new ATOM 0 HG21 VAL A 6 8.123 -6.179 -13.016 1.00 61.24 H new ATOM 0 HG22 VAL A 6 8.527 -7.499 -11.893 1.00 61.24 H new ATOM 0 HG23 VAL A 6 8.935 -5.818 -11.474 1.00 61.24 H new ATOM 108 N ALA A 7 13.202 -8.544 -12.491 1.00 30.40 N ATOM 109 CA ALA A 7 14.482 -8.841 -13.122 1.00 50.42 C ATOM 110 C ALA A 7 14.346 -9.974 -14.133 1.00 23.41 C ATOM 111 O ALA A 7 13.277 -10.568 -14.274 1.00 34.44 O ATOM 112 CB ALA A 7 15.521 -9.192 -12.068 1.00 64.12 C ATOM 0 H ALA A 7 12.833 -9.298 -11.911 1.00 30.40 H new ATOM 0 HA ALA A 7 14.811 -7.950 -13.657 1.00 50.42 H new ATOM 0 HB1 ALA A 7 16.472 -9.412 -12.553 1.00 64.12 H new ATOM 0 HB2 ALA A 7 15.647 -8.350 -11.387 1.00 64.12 H new ATOM 0 HB3 ALA A 7 15.190 -10.066 -11.507 1.00 64.12 H new ATOM 118 N CYS A 8 15.435 -10.269 -14.834 1.00 43.11 N ATOM 119 CA CYS A 8 15.437 -11.331 -15.834 1.00 20.34 C ATOM 120 C CYS A 8 16.855 -11.828 -16.097 1.00 31.03 C ATOM 121 O CYS A 8 17.826 -11.256 -15.602 1.00 74.43 O ATOM 122 CB CYS A 8 14.807 -10.836 -17.136 1.00 44.52 C ATOM 123 SG CYS A 8 15.533 -9.306 -17.772 1.00 21.25 S ATOM 0 H CYS A 8 16.328 -9.788 -14.728 1.00 43.11 H new ATOM 0 HA CYS A 8 14.847 -12.161 -15.447 1.00 20.34 H new ATOM 0 HB2 CYS A 8 14.904 -11.614 -17.893 1.00 44.52 H new ATOM 0 HB3 CYS A 8 13.740 -10.680 -16.975 1.00 44.52 H new ATOM 0 HG CYS A 8 14.936 -8.969 -18.876 1.00 21.25 H new ATOM 196 N SER A 15 12.083 -7.977 -20.796 1.00 33.42 N ATOM 197 CA SER A 15 11.139 -8.120 -19.694 1.00 13.25 C ATOM 198 C SER A 15 9.986 -7.130 -19.834 1.00 4.31 C ATOM 199 O SER A 15 9.561 -6.511 -18.858 1.00 35.22 O ATOM 200 CB SER A 15 11.849 -7.907 -18.355 1.00 72.02 C ATOM 201 OG SER A 15 12.711 -6.783 -18.408 1.00 73.52 O ATOM 0 HA SER A 15 10.733 -9.131 -19.725 1.00 13.25 H new ATOM 0 HB2 SER A 15 11.110 -7.766 -17.566 1.00 72.02 H new ATOM 0 HB3 SER A 15 12.423 -8.798 -18.098 1.00 72.02 H new ATOM 0 HG SER A 15 12.933 -6.585 -19.342 1.00 73.52 H new ATOM 207 N THR A 16 9.485 -6.984 -21.057 1.00 20.15 N ATOM 208 CA THR A 16 8.383 -6.069 -21.327 1.00 23.21 C ATOM 209 C THR A 16 7.037 -6.767 -21.166 1.00 44.34 C ATOM 210 O THR A 16 6.144 -6.264 -20.484 1.00 71.54 O ATOM 211 CB THR A 16 8.478 -5.481 -22.747 1.00 55.52 C ATOM 212 OG1 THR A 16 9.848 -5.408 -23.158 1.00 15.05 O ATOM 213 CG2 THR A 16 7.853 -4.095 -22.801 1.00 54.41 C ATOM 0 H THR A 16 9.825 -7.488 -21.876 1.00 20.15 H new ATOM 0 HA THR A 16 8.458 -5.260 -20.601 1.00 23.21 H new ATOM 0 HB THR A 16 7.931 -6.137 -23.425 1.00 55.52 H new ATOM 0 HG1 THR A 16 9.899 -5.035 -24.063 1.00 15.05 H new ATOM 0 HG21 THR A 16 7.932 -3.700 -23.814 1.00 54.41 H new ATOM 0 HG22 THR A 16 6.803 -4.158 -22.517 1.00 54.41 H new ATOM 0 HG23 THR A 16 8.376 -3.433 -22.111 1.00 54.41 H new ATOM 221 N VAL A 17 6.899 -7.928 -21.798 1.00 54.25 N ATOM 222 CA VAL A 17 5.661 -8.696 -21.724 1.00 45.31 C ATOM 223 C VAL A 17 5.227 -8.899 -20.277 1.00 52.40 C ATOM 224 O VAL A 17 4.064 -8.690 -19.932 1.00 34.52 O ATOM 225 CB VAL A 17 5.813 -10.071 -22.401 1.00 11.01 C ATOM 226 CG1 VAL A 17 4.530 -10.877 -22.267 1.00 13.45 C ATOM 227 CG2 VAL A 17 6.197 -9.905 -23.863 1.00 65.23 C ATOM 0 H VAL A 17 7.629 -8.358 -22.367 1.00 54.25 H new ATOM 0 HA VAL A 17 4.899 -8.122 -22.252 1.00 45.31 H new ATOM 0 HB VAL A 17 6.611 -10.617 -21.899 1.00 11.01 H new ATOM 0 HG11 VAL A 17 4.656 -11.845 -22.751 1.00 13.45 H new ATOM 0 HG12 VAL A 17 4.303 -11.026 -21.211 1.00 13.45 H new ATOM 0 HG13 VAL A 17 3.710 -10.338 -22.742 1.00 13.45 H new ATOM 0 HG21 VAL A 17 6.300 -10.886 -24.326 1.00 65.23 H new ATOM 0 HG22 VAL A 17 5.422 -9.339 -24.381 1.00 65.23 H new ATOM 0 HG23 VAL A 17 7.144 -9.370 -23.932 1.00 65.23 H new ATOM 237 N VAL A 18 6.170 -9.306 -19.433 1.00 74.23 N ATOM 238 CA VAL A 18 5.885 -9.536 -18.022 1.00 20.11 C ATOM 239 C VAL A 18 5.246 -8.308 -17.383 1.00 23.10 C ATOM 240 O VAL A 18 4.079 -8.334 -16.995 1.00 41.13 O ATOM 241 CB VAL A 18 7.163 -9.900 -17.244 1.00 4.14 C ATOM 242 CG1 VAL A 18 6.826 -10.281 -15.810 1.00 52.31 C ATOM 243 CG2 VAL A 18 7.909 -11.027 -17.942 1.00 2.02 C ATOM 0 H VAL A 18 7.138 -9.483 -19.702 1.00 74.23 H new ATOM 0 HA VAL A 18 5.187 -10.372 -17.972 1.00 20.11 H new ATOM 0 HB VAL A 18 7.813 -9.025 -17.219 1.00 4.14 H new ATOM 0 HG11 VAL A 18 7.742 -10.535 -15.276 1.00 52.31 H new ATOM 0 HG12 VAL A 18 6.339 -9.441 -15.315 1.00 52.31 H new ATOM 0 HG13 VAL A 18 6.156 -11.141 -15.810 1.00 52.31 H new ATOM 0 HG21 VAL A 18 8.809 -11.271 -17.378 1.00 2.02 H new ATOM 0 HG22 VAL A 18 7.268 -11.906 -18.000 1.00 2.02 H new ATOM 0 HG23 VAL A 18 8.185 -10.712 -18.948 1.00 2.02 H new ATOM 253 N ASN A 19 6.020 -7.233 -17.277 1.00 43.21 N ATOM 254 CA ASN A 19 5.530 -5.994 -16.685 1.00 10.53 C ATOM 255 C ASN A 19 4.217 -5.564 -17.332 1.00 11.42 C ATOM 256 O ASN A 19 3.215 -5.358 -16.649 1.00 32.24 O ATOM 257 CB ASN A 19 6.573 -4.884 -16.835 1.00 70.34 C ATOM 258 CG ASN A 19 5.984 -3.504 -16.618 1.00 43.30 C ATOM 259 OD1 ASN A 19 5.441 -3.209 -15.553 1.00 43.12 O ATOM 260 ND2 ASN A 19 6.089 -2.650 -17.630 1.00 4.13 N ATOM 0 H ASN A 19 6.989 -7.195 -17.593 1.00 43.21 H new ATOM 0 HA ASN A 19 5.351 -6.174 -15.625 1.00 10.53 H new ATOM 0 HB2 ASN A 19 7.380 -5.048 -16.120 1.00 70.34 H new ATOM 0 HB3 ASN A 19 7.014 -4.935 -17.831 1.00 70.34 H new ATOM 0 HD21 ASN A 19 5.711 -1.707 -17.542 1.00 4.13 H new ATOM 0 HD22 ASN A 19 6.547 -2.938 -18.495 1.00 4.13 H new ATOM 267 N ASN A 20 4.231 -5.430 -18.654 1.00 70.21 N ATOM 268 CA ASN A 20 3.041 -5.025 -19.394 1.00 44.21 C ATOM 269 C ASN A 20 1.846 -5.898 -19.024 1.00 25.23 C ATOM 270 O ASN A 20 0.708 -5.432 -18.998 1.00 1.54 O ATOM 271 CB ASN A 20 3.300 -5.106 -20.900 1.00 34.31 C ATOM 272 CG ASN A 20 3.951 -3.849 -21.444 1.00 21.44 C ATOM 273 OD1 ASN A 20 3.292 -3.013 -22.061 1.00 41.31 O ATOM 274 ND2 ASN A 20 5.252 -3.712 -21.216 1.00 41.31 N ATOM 0 H ASN A 20 5.053 -5.596 -19.235 1.00 70.21 H new ATOM 0 HA ASN A 20 2.811 -3.994 -19.126 1.00 44.21 H new ATOM 0 HB2 ASN A 20 3.940 -5.963 -21.110 1.00 34.31 H new ATOM 0 HB3 ASN A 20 2.357 -5.277 -21.419 1.00 34.31 H new ATOM 0 HD21 ASN A 20 5.746 -2.887 -21.558 1.00 41.31 H new ATOM 0 HD22 ASN A 20 5.758 -4.431 -20.699 1.00 41.31 H new ATOM 281 N ALA A 21 2.115 -7.168 -18.738 1.00 13.05 N ATOM 282 CA ALA A 21 1.063 -8.106 -18.366 1.00 13.00 C ATOM 283 C ALA A 21 0.594 -7.866 -16.935 1.00 30.52 C ATOM 284 O ALA A 21 -0.594 -7.658 -16.688 1.00 33.33 O ATOM 285 CB ALA A 21 1.550 -9.538 -18.531 1.00 51.12 C ATOM 0 H ALA A 21 3.052 -7.571 -18.757 1.00 13.05 H new ATOM 0 HA ALA A 21 0.214 -7.944 -19.030 1.00 13.00 H new ATOM 0 HB1 ALA A 21 0.754 -10.228 -18.250 1.00 51.12 H new ATOM 0 HB2 ALA A 21 1.829 -9.710 -19.571 1.00 51.12 H new ATOM 0 HB3 ALA A 21 2.417 -9.704 -17.891 1.00 51.12 H new ATOM 291 N ILE A 22 1.534 -7.898 -15.996 1.00 71.22 N ATOM 292 CA ILE A 22 1.216 -7.684 -14.590 1.00 20.11 C ATOM 293 C ILE A 22 0.492 -6.358 -14.386 1.00 14.22 C ATOM 294 O ILE A 22 -0.584 -6.313 -13.789 1.00 43.44 O ATOM 295 CB ILE A 22 2.485 -7.703 -13.717 1.00 14.12 C ATOM 296 CG1 ILE A 22 3.225 -9.031 -13.884 1.00 24.22 C ATOM 297 CG2 ILE A 22 2.126 -7.470 -12.257 1.00 21.03 C ATOM 298 CD1 ILE A 22 2.380 -10.241 -13.551 1.00 11.40 C ATOM 0 H ILE A 22 2.522 -8.070 -16.184 1.00 71.22 H new ATOM 0 HA ILE A 22 0.563 -8.502 -14.286 1.00 20.11 H new ATOM 0 HB ILE A 22 3.144 -6.898 -14.042 1.00 14.12 H new ATOM 0 HG12 ILE A 22 3.576 -9.115 -14.913 1.00 24.22 H new ATOM 0 HG13 ILE A 22 4.108 -9.028 -13.245 1.00 24.22 H new ATOM 0 HG21 ILE A 22 3.033 -7.486 -11.652 1.00 21.03 H new ATOM 0 HG22 ILE A 22 1.637 -6.501 -12.153 1.00 21.03 H new ATOM 0 HG23 ILE A 22 1.450 -8.255 -11.919 1.00 21.03 H new ATOM 0 HD11 ILE A 22 2.970 -11.147 -13.692 1.00 11.40 H new ATOM 0 HD12 ILE A 22 2.051 -10.180 -12.514 1.00 11.40 H new ATOM 0 HD13 ILE A 22 1.510 -10.269 -14.207 1.00 11.40 H new ATOM 310 N GLU A 23 1.088 -5.281 -14.887 1.00 1.41 N ATOM 311 CA GLU A 23 0.498 -3.953 -14.760 1.00 64.10 C ATOM 312 C GLU A 23 -0.952 -3.955 -15.233 1.00 53.34 C ATOM 313 O GLU A 23 -1.790 -3.229 -14.700 1.00 14.32 O ATOM 314 CB GLU A 23 1.307 -2.932 -15.563 1.00 63.42 C ATOM 315 CG GLU A 23 1.124 -3.057 -17.066 1.00 72.43 C ATOM 316 CD GLU A 23 1.853 -1.973 -17.835 1.00 52.42 C ATOM 317 OE1 GLU A 23 1.570 -1.806 -19.040 1.00 21.40 O ATOM 318 OE2 GLU A 23 2.706 -1.290 -17.231 1.00 43.41 O ATOM 0 H GLU A 23 1.978 -5.302 -15.384 1.00 1.41 H new ATOM 0 HA GLU A 23 0.518 -3.674 -13.707 1.00 64.10 H new ATOM 0 HB2 GLU A 23 1.019 -1.928 -15.253 1.00 63.42 H new ATOM 0 HB3 GLU A 23 2.364 -3.049 -15.323 1.00 63.42 H new ATOM 0 HG2 GLU A 23 1.484 -4.033 -17.392 1.00 72.43 H new ATOM 0 HG3 GLU A 23 0.061 -3.013 -17.304 1.00 72.43 H new ATOM 325 N GLU A 24 -1.240 -4.775 -16.239 1.00 63.40 N ATOM 326 CA GLU A 24 -2.588 -4.870 -16.785 1.00 73.32 C ATOM 327 C GLU A 24 -3.523 -5.577 -15.808 1.00 22.15 C ATOM 328 O GLU A 24 -4.699 -5.233 -15.698 1.00 52.12 O ATOM 329 CB GLU A 24 -2.570 -5.617 -18.121 1.00 13.23 C ATOM 330 CG GLU A 24 -3.887 -5.545 -18.876 1.00 43.11 C ATOM 331 CD GLU A 24 -4.028 -4.269 -19.683 1.00 4.44 C ATOM 332 OE1 GLU A 24 -3.014 -3.561 -19.856 1.00 2.30 O ATOM 333 OE2 GLU A 24 -5.153 -3.978 -20.141 1.00 23.15 O ATOM 0 H GLU A 24 -0.558 -5.383 -16.692 1.00 63.40 H new ATOM 0 HA GLU A 24 -2.958 -3.858 -16.947 1.00 73.32 H new ATOM 0 HB2 GLU A 24 -1.779 -5.205 -18.747 1.00 13.23 H new ATOM 0 HB3 GLU A 24 -2.321 -6.663 -17.940 1.00 13.23 H new ATOM 0 HG2 GLU A 24 -3.966 -6.403 -19.543 1.00 43.11 H new ATOM 0 HG3 GLU A 24 -4.712 -5.615 -18.167 1.00 43.11 H new ATOM 340 N MET A 25 -2.990 -6.567 -15.100 1.00 23.54 N ATOM 341 CA MET A 25 -3.775 -7.323 -14.131 1.00 13.35 C ATOM 342 C MET A 25 -3.989 -6.514 -12.855 1.00 4.20 C ATOM 343 O MET A 25 -5.110 -6.400 -12.362 1.00 12.43 O ATOM 344 CB MET A 25 -3.082 -8.645 -13.799 1.00 63.55 C ATOM 345 CG MET A 25 -2.837 -9.524 -15.015 1.00 61.24 C ATOM 346 SD MET A 25 -3.227 -11.258 -14.709 1.00 44.13 S ATOM 347 CE MET A 25 -2.968 -11.956 -16.338 1.00 40.24 C ATOM 0 H MET A 25 -2.018 -6.865 -15.179 1.00 23.54 H new ATOM 0 HA MET A 25 -4.748 -7.533 -14.575 1.00 13.35 H new ATOM 0 HB2 MET A 25 -2.128 -8.434 -13.315 1.00 63.55 H new ATOM 0 HB3 MET A 25 -3.690 -9.194 -13.080 1.00 63.55 H new ATOM 0 HG2 MET A 25 -3.440 -9.162 -15.848 1.00 61.24 H new ATOM 0 HG3 MET A 25 -1.793 -9.438 -15.316 1.00 61.24 H new ATOM 0 HE1 MET A 25 -3.031 -13.043 -16.282 1.00 40.24 H new ATOM 0 HE2 MET A 25 -3.732 -11.583 -17.020 1.00 40.24 H new ATOM 0 HE3 MET A 25 -1.983 -11.668 -16.705 1.00 40.24 H new ATOM 357 N ALA A 26 -2.905 -5.955 -12.326 1.00 12.30 N ATOM 358 CA ALA A 26 -2.975 -5.155 -11.109 1.00 62.41 C ATOM 359 C ALA A 26 -4.056 -4.085 -11.216 1.00 63.13 C ATOM 360 O ALA A 26 -4.799 -3.841 -10.266 1.00 1.24 O ATOM 361 CB ALA A 26 -1.624 -4.517 -10.819 1.00 34.21 C ATOM 0 H ALA A 26 -1.969 -6.041 -12.721 1.00 12.30 H new ATOM 0 HA ALA A 26 -3.237 -5.817 -10.283 1.00 62.41 H new ATOM 0 HB1 ALA A 26 -1.690 -3.923 -9.908 1.00 34.21 H new ATOM 0 HB2 ALA A 26 -0.874 -5.297 -10.690 1.00 34.21 H new ATOM 0 HB3 ALA A 26 -1.339 -3.874 -11.652 1.00 34.21 H new ATOM 367 N LYS A 27 -4.138 -3.448 -12.380 1.00 20.44 N ATOM 368 CA LYS A 27 -5.128 -2.404 -12.612 1.00 54.04 C ATOM 369 C LYS A 27 -6.543 -2.951 -12.455 1.00 34.14 C ATOM 370 O LYS A 27 -7.399 -2.315 -11.840 1.00 60.02 O ATOM 371 CB LYS A 27 -4.953 -1.809 -14.012 1.00 33.25 C ATOM 372 CG LYS A 27 -3.735 -0.911 -14.143 1.00 32.33 C ATOM 373 CD LYS A 27 -3.965 0.439 -13.486 1.00 2.52 C ATOM 374 CE LYS A 27 -2.966 1.476 -13.978 1.00 71.41 C ATOM 375 NZ LYS A 27 -1.639 1.323 -13.320 1.00 10.53 N ATOM 0 H LYS A 27 -3.530 -3.637 -13.177 1.00 20.44 H new ATOM 0 HA LYS A 27 -4.975 -1.622 -11.869 1.00 54.04 H new ATOM 0 HB2 LYS A 27 -4.875 -2.621 -14.735 1.00 33.25 H new ATOM 0 HB3 LYS A 27 -5.845 -1.237 -14.269 1.00 33.25 H new ATOM 0 HG2 LYS A 27 -2.873 -1.397 -13.686 1.00 32.33 H new ATOM 0 HG3 LYS A 27 -3.499 -0.768 -15.197 1.00 32.33 H new ATOM 0 HD2 LYS A 27 -4.979 0.780 -13.697 1.00 2.52 H new ATOM 0 HD3 LYS A 27 -3.882 0.337 -12.404 1.00 2.52 H new ATOM 0 HE2 LYS A 27 -2.849 1.384 -15.058 1.00 71.41 H new ATOM 0 HE3 LYS A 27 -3.355 2.476 -13.784 1.00 71.41 H new ATOM 0 HZ1 LYS A 27 -0.987 2.048 -13.682 1.00 10.53 H new ATOM 0 HZ2 LYS A 27 -1.746 1.436 -12.292 1.00 10.53 H new ATOM 0 HZ3 LYS A 27 -1.256 0.378 -13.526 1.00 10.53 H new ATOM 389 N GLU A 28 -6.781 -4.134 -13.012 1.00 73.30 N ATOM 390 CA GLU A 28 -8.093 -4.766 -12.932 1.00 31.04 C ATOM 391 C GLU A 28 -8.438 -5.121 -11.488 1.00 72.42 C ATOM 392 O GLU A 28 -9.596 -5.040 -11.077 1.00 30.22 O ATOM 393 CB GLU A 28 -8.132 -6.024 -13.801 1.00 71.25 C ATOM 394 CG GLU A 28 -9.535 -6.556 -14.040 1.00 53.11 C ATOM 395 CD GLU A 28 -10.284 -5.771 -15.099 1.00 54.22 C ATOM 396 OE1 GLU A 28 -9.766 -4.722 -15.537 1.00 62.53 O ATOM 397 OE2 GLU A 28 -11.389 -6.204 -15.490 1.00 5.13 O ATOM 0 H GLU A 28 -6.083 -4.674 -13.523 1.00 73.30 H new ATOM 0 HA GLU A 28 -8.833 -4.056 -13.301 1.00 31.04 H new ATOM 0 HB2 GLU A 28 -7.667 -5.806 -14.762 1.00 71.25 H new ATOM 0 HB3 GLU A 28 -7.534 -6.802 -13.326 1.00 71.25 H new ATOM 0 HG2 GLU A 28 -9.476 -7.602 -14.342 1.00 53.11 H new ATOM 0 HG3 GLU A 28 -10.095 -6.525 -13.106 1.00 53.11 H new ATOM 404 N HIS A 29 -7.425 -5.516 -10.724 1.00 21.43 N ATOM 405 CA HIS A 29 -7.620 -5.885 -9.326 1.00 11.40 C ATOM 406 C HIS A 29 -7.820 -4.644 -8.460 1.00 62.32 C ATOM 407 O HIS A 29 -8.470 -4.702 -7.417 1.00 44.02 O ATOM 408 CB HIS A 29 -6.424 -6.689 -8.817 1.00 22.13 C ATOM 409 CG HIS A 29 -6.335 -8.065 -9.401 1.00 63.14 C ATOM 410 ND1 HIS A 29 -7.185 -9.091 -9.045 1.00 41.32 N ATOM 411 CD2 HIS A 29 -5.490 -8.582 -10.324 1.00 51.13 C ATOM 412 CE1 HIS A 29 -6.866 -10.179 -9.722 1.00 60.23 C ATOM 413 NE2 HIS A 29 -5.841 -9.897 -10.506 1.00 61.11 N ATOM 0 H HIS A 29 -6.461 -5.589 -11.049 1.00 21.43 H new ATOM 0 HA HIS A 29 -8.517 -6.501 -9.260 1.00 11.40 H new ATOM 0 HB2 HIS A 29 -5.507 -6.146 -9.047 1.00 22.13 H new ATOM 0 HB3 HIS A 29 -6.485 -6.767 -7.732 1.00 22.13 H new ATOM 0 HD2 HIS A 29 -4.689 -8.058 -10.824 1.00 51.13 H new ATOM 0 HE1 HIS A 29 -7.359 -11.137 -9.647 1.00 60.23 H new ATOM 0 HE2 HIS A 29 -5.384 -10.550 -11.143 1.00 61.11 H new ATOM 421 N ASN A 30 -7.256 -3.524 -8.900 1.00 62.23 N ATOM 422 CA ASN A 30 -7.371 -2.270 -8.165 1.00 20.23 C ATOM 423 C ASN A 30 -6.649 -2.358 -6.824 1.00 4.13 C ATOM 424 O ASN A 30 -7.168 -1.917 -5.798 1.00 24.02 O ATOM 425 CB ASN A 30 -8.843 -1.919 -7.941 1.00 73.25 C ATOM 426 CG ASN A 30 -9.703 -2.235 -9.150 1.00 62.52 C ATOM 427 OD1 ASN A 30 -9.579 -1.600 -10.197 1.00 51.22 O ATOM 428 ND2 ASN A 30 -10.580 -3.222 -9.010 1.00 73.31 N ATOM 0 H ASN A 30 -6.715 -3.459 -9.762 1.00 62.23 H new ATOM 0 HA ASN A 30 -6.903 -1.485 -8.760 1.00 20.23 H new ATOM 0 HB2 ASN A 30 -9.218 -2.469 -7.078 1.00 73.25 H new ATOM 0 HB3 ASN A 30 -8.929 -0.858 -7.704 1.00 73.25 H new ATOM 0 HD21 ASN A 30 -11.185 -3.481 -9.789 1.00 73.31 H new ATOM 0 HD22 ASN A 30 -10.648 -3.721 -8.123 1.00 73.31 H new ATOM 435 N ILE A 31 -5.449 -2.929 -6.840 1.00 60.04 N ATOM 436 CA ILE A 31 -4.655 -3.073 -5.627 1.00 1.34 C ATOM 437 C ILE A 31 -3.491 -2.088 -5.611 1.00 41.33 C ATOM 438 O ILE A 31 -2.996 -1.677 -6.661 1.00 75.04 O ATOM 439 CB ILE A 31 -4.104 -4.503 -5.480 1.00 61.44 C ATOM 440 CG1 ILE A 31 -5.218 -5.528 -5.704 1.00 52.25 C ATOM 441 CG2 ILE A 31 -3.473 -4.690 -4.109 1.00 31.43 C ATOM 442 CD1 ILE A 31 -4.726 -6.957 -5.745 1.00 25.42 C ATOM 0 H ILE A 31 -5.006 -3.299 -7.681 1.00 60.04 H new ATOM 0 HA ILE A 31 -5.319 -2.861 -4.789 1.00 1.34 H new ATOM 0 HB ILE A 31 -3.335 -4.659 -6.236 1.00 61.44 H new ATOM 0 HG12 ILE A 31 -5.956 -5.429 -4.908 1.00 52.25 H new ATOM 0 HG13 ILE A 31 -5.727 -5.301 -6.641 1.00 52.25 H new ATOM 0 HG21 ILE A 31 -3.088 -5.706 -4.021 1.00 31.43 H new ATOM 0 HG22 ILE A 31 -2.655 -3.980 -3.985 1.00 31.43 H new ATOM 0 HG23 ILE A 31 -4.223 -4.518 -3.337 1.00 31.43 H new ATOM 0 HD11 ILE A 31 -5.570 -7.628 -5.907 1.00 25.42 H new ATOM 0 HD12 ILE A 31 -4.010 -7.072 -6.559 1.00 25.42 H new ATOM 0 HD13 ILE A 31 -4.243 -7.203 -4.799 1.00 25.42 H new ATOM 454 N LYS A 32 -3.056 -1.713 -4.413 1.00 61.11 N ATOM 455 CA LYS A 32 -1.947 -0.778 -4.259 1.00 34.52 C ATOM 456 C LYS A 32 -0.619 -1.450 -4.593 1.00 52.23 C ATOM 457 O LYS A 32 0.173 -1.760 -3.703 1.00 52.32 O ATOM 458 CB LYS A 32 -1.909 -0.232 -2.830 1.00 32.02 C ATOM 459 CG LYS A 32 -3.223 0.382 -2.378 1.00 30.41 C ATOM 460 CD LYS A 32 -3.227 0.652 -0.883 1.00 33.34 C ATOM 461 CE LYS A 32 -4.619 1.008 -0.385 1.00 15.54 C ATOM 462 NZ LYS A 32 -5.390 -0.200 0.021 1.00 40.40 N ATOM 0 H LYS A 32 -3.455 -2.042 -3.534 1.00 61.11 H new ATOM 0 HA LYS A 32 -2.101 0.048 -4.953 1.00 34.52 H new ATOM 0 HB2 LYS A 32 -1.642 -1.040 -2.148 1.00 32.02 H new ATOM 0 HB3 LYS A 32 -1.123 0.519 -2.758 1.00 32.02 H new ATOM 0 HG2 LYS A 32 -3.395 1.313 -2.917 1.00 30.41 H new ATOM 0 HG3 LYS A 32 -4.045 -0.289 -2.630 1.00 30.41 H new ATOM 0 HD2 LYS A 32 -2.864 -0.228 -0.352 1.00 33.34 H new ATOM 0 HD3 LYS A 32 -2.539 1.467 -0.657 1.00 33.34 H new ATOM 0 HE2 LYS A 32 -4.538 1.689 0.462 1.00 15.54 H new ATOM 0 HE3 LYS A 32 -5.160 1.538 -1.169 1.00 15.54 H new ATOM 0 HZ1 LYS A 32 -6.333 0.086 0.354 1.00 40.40 H new ATOM 0 HZ2 LYS A 32 -5.490 -0.838 -0.794 1.00 40.40 H new ATOM 0 HZ3 LYS A 32 -4.887 -0.692 0.787 1.00 40.40 H new ATOM 476 N VAL A 33 -0.381 -1.670 -5.882 1.00 62.53 N ATOM 477 CA VAL A 33 0.853 -2.303 -6.334 1.00 52.54 C ATOM 478 C VAL A 33 1.749 -1.304 -7.058 1.00 52.32 C ATOM 479 O VAL A 33 1.277 -0.503 -7.866 1.00 24.10 O ATOM 480 CB VAL A 33 0.564 -3.490 -7.272 1.00 2.01 C ATOM 481 CG1 VAL A 33 1.842 -4.261 -7.566 1.00 50.25 C ATOM 482 CG2 VAL A 33 -0.491 -4.403 -6.666 1.00 11.43 C ATOM 0 H VAL A 33 -1.026 -1.420 -6.632 1.00 62.53 H new ATOM 0 HA VAL A 33 1.366 -2.669 -5.444 1.00 52.54 H new ATOM 0 HB VAL A 33 0.177 -3.101 -8.214 1.00 2.01 H new ATOM 0 HG11 VAL A 33 1.619 -5.096 -8.230 1.00 50.25 H new ATOM 0 HG12 VAL A 33 2.564 -3.600 -8.045 1.00 50.25 H new ATOM 0 HG13 VAL A 33 2.260 -4.641 -6.634 1.00 50.25 H new ATOM 0 HG21 VAL A 33 -0.683 -5.236 -7.342 1.00 11.43 H new ATOM 0 HG22 VAL A 33 -0.135 -4.786 -5.710 1.00 11.43 H new ATOM 0 HG23 VAL A 33 -1.412 -3.842 -6.511 1.00 11.43 H new ATOM 492 N ASP A 34 3.043 -1.357 -6.764 1.00 0.24 N ATOM 493 CA ASP A 34 4.007 -0.458 -7.388 1.00 13.45 C ATOM 494 C ASP A 34 5.049 -1.242 -8.179 1.00 34.00 C ATOM 495 O ASP A 34 6.139 -1.522 -7.681 1.00 2.04 O ATOM 496 CB ASP A 34 4.695 0.402 -6.326 1.00 43.35 C ATOM 497 CG ASP A 34 5.213 1.712 -6.889 1.00 31.41 C ATOM 498 OD1 ASP A 34 6.408 1.772 -7.247 1.00 14.15 O ATOM 499 OD2 ASP A 34 4.423 2.676 -6.971 1.00 4.05 O ATOM 0 H ASP A 34 3.449 -2.013 -6.097 1.00 0.24 H new ATOM 0 HA ASP A 34 3.468 0.192 -8.078 1.00 13.45 H new ATOM 0 HB2 ASP A 34 3.992 0.609 -5.519 1.00 43.35 H new ATOM 0 HB3 ASP A 34 5.524 -0.157 -5.891 1.00 43.35 H new ATOM 504 N ILE A 35 4.705 -1.594 -9.413 1.00 74.31 N ATOM 505 CA ILE A 35 5.610 -2.346 -10.273 1.00 22.43 C ATOM 506 C ILE A 35 6.889 -1.561 -10.544 1.00 62.51 C ATOM 507 O ILE A 35 6.862 -0.339 -10.691 1.00 32.43 O ATOM 508 CB ILE A 35 4.946 -2.703 -11.615 1.00 75.24 C ATOM 509 CG1 ILE A 35 3.686 -3.540 -11.380 1.00 4.24 C ATOM 510 CG2 ILE A 35 5.925 -3.450 -12.509 1.00 55.21 C ATOM 511 CD1 ILE A 35 2.891 -3.802 -12.639 1.00 72.50 C ATOM 0 H ILE A 35 3.806 -1.370 -9.840 1.00 74.31 H new ATOM 0 HA ILE A 35 5.856 -3.266 -9.744 1.00 22.43 H new ATOM 0 HB ILE A 35 4.658 -1.779 -12.117 1.00 75.24 H new ATOM 0 HG12 ILE A 35 3.971 -4.493 -10.935 1.00 4.24 H new ATOM 0 HG13 ILE A 35 3.049 -3.029 -10.658 1.00 4.24 H new ATOM 0 HG21 ILE A 35 5.440 -3.695 -13.454 1.00 55.21 H new ATOM 0 HG22 ILE A 35 6.795 -2.822 -12.700 1.00 55.21 H new ATOM 0 HG23 ILE A 35 6.241 -4.368 -12.014 1.00 55.21 H new ATOM 0 HD11 ILE A 35 2.013 -4.400 -12.397 1.00 72.50 H new ATOM 0 HD12 ILE A 35 2.575 -2.854 -13.074 1.00 72.50 H new ATOM 0 HD13 ILE A 35 3.511 -4.341 -13.355 1.00 72.50 H new ATOM 523 N LYS A 36 8.010 -2.272 -10.612 1.00 32.23 N ATOM 524 CA LYS A 36 9.300 -1.644 -10.869 1.00 23.21 C ATOM 525 C LYS A 36 10.247 -2.613 -11.571 1.00 14.03 C ATOM 526 O LYS A 36 10.324 -3.787 -11.212 1.00 23.54 O ATOM 527 CB LYS A 36 9.926 -1.162 -9.558 1.00 65.42 C ATOM 528 CG LYS A 36 9.522 0.250 -9.174 1.00 14.21 C ATOM 529 CD LYS A 36 10.140 0.667 -7.850 1.00 64.01 C ATOM 530 CE LYS A 36 11.495 1.328 -8.052 1.00 24.12 C ATOM 531 NZ LYS A 36 11.374 2.644 -8.738 1.00 70.10 N ATOM 0 H LYS A 36 8.050 -3.284 -10.493 1.00 32.23 H new ATOM 0 HA LYS A 36 9.135 -0.787 -11.522 1.00 23.21 H new ATOM 0 HB2 LYS A 36 9.640 -1.843 -8.757 1.00 65.42 H new ATOM 0 HB3 LYS A 36 11.012 -1.209 -9.645 1.00 65.42 H new ATOM 0 HG2 LYS A 36 9.832 0.943 -9.956 1.00 14.21 H new ATOM 0 HG3 LYS A 36 8.436 0.313 -9.105 1.00 14.21 H new ATOM 0 HD2 LYS A 36 9.471 1.356 -7.336 1.00 64.01 H new ATOM 0 HD3 LYS A 36 10.252 -0.207 -7.208 1.00 64.01 H new ATOM 0 HE2 LYS A 36 11.979 1.466 -7.085 1.00 24.12 H new ATOM 0 HE3 LYS A 36 12.136 0.670 -8.639 1.00 24.12 H new ATOM 0 HZ1 LYS A 36 12.199 3.233 -8.507 1.00 70.10 H new ATOM 0 HZ2 LYS A 36 11.331 2.497 -9.767 1.00 70.10 H new ATOM 0 HZ3 LYS A 36 10.507 3.123 -8.420 1.00 70.10 H new ATOM 545 N GLN A 37 10.964 -2.112 -12.571 1.00 22.00 N ATOM 546 CA GLN A 37 11.906 -2.934 -13.322 1.00 32.34 C ATOM 547 C GLN A 37 13.337 -2.453 -13.111 1.00 5.23 C ATOM 548 O GLN A 37 13.618 -1.256 -13.187 1.00 35.10 O ATOM 549 CB GLN A 37 11.561 -2.910 -14.812 1.00 3.12 C ATOM 550 CG GLN A 37 11.187 -1.530 -15.327 1.00 43.43 C ATOM 551 CD GLN A 37 11.148 -1.463 -16.841 1.00 43.14 C ATOM 552 OE1 GLN A 37 11.989 -0.817 -17.468 1.00 20.13 O ATOM 553 NE2 GLN A 37 10.169 -2.132 -17.439 1.00 22.23 N ATOM 0 H GLN A 37 10.911 -1.141 -12.880 1.00 22.00 H new ATOM 0 HA GLN A 37 11.829 -3.958 -12.955 1.00 32.34 H new ATOM 0 HB2 GLN A 37 12.414 -3.282 -15.380 1.00 3.12 H new ATOM 0 HB3 GLN A 37 10.733 -3.594 -14.996 1.00 3.12 H new ATOM 0 HG2 GLN A 37 10.211 -1.250 -14.929 1.00 43.43 H new ATOM 0 HG3 GLN A 37 11.905 -0.800 -14.953 1.00 43.43 H new ATOM 0 HE21 GLN A 37 9.493 -2.654 -16.881 1.00 22.23 H new ATOM 0 HE22 GLN A 37 10.093 -2.124 -18.456 1.00 22.23 H new ATOM 562 N ILE A 38 14.239 -3.392 -12.845 1.00 1.10 N ATOM 563 CA ILE A 38 15.642 -3.063 -12.624 1.00 13.22 C ATOM 564 C ILE A 38 16.556 -4.142 -13.193 1.00 60.30 C ATOM 565 O ILE A 38 16.093 -5.195 -13.634 1.00 4.23 O ATOM 566 CB ILE A 38 15.948 -2.884 -11.125 1.00 44.22 C ATOM 567 CG1 ILE A 38 16.065 -4.247 -10.440 1.00 3.21 C ATOM 568 CG2 ILE A 38 14.870 -2.042 -10.461 1.00 12.53 C ATOM 569 CD1 ILE A 38 14.810 -5.084 -10.543 1.00 31.52 C ATOM 0 H ILE A 38 14.023 -4.387 -12.777 1.00 1.10 H new ATOM 0 HA ILE A 38 15.831 -2.122 -13.140 1.00 13.22 H new ATOM 0 HB ILE A 38 16.901 -2.364 -11.023 1.00 44.22 H new ATOM 0 HG12 ILE A 38 16.896 -4.797 -10.882 1.00 3.21 H new ATOM 0 HG13 ILE A 38 16.306 -4.096 -9.388 1.00 3.21 H new ATOM 0 HG21 ILE A 38 15.101 -1.925 -9.402 1.00 12.53 H new ATOM 0 HG22 ILE A 38 14.831 -1.061 -10.935 1.00 12.53 H new ATOM 0 HG23 ILE A 38 13.904 -2.536 -10.569 1.00 12.53 H new ATOM 0 HD11 ILE A 38 14.965 -6.036 -10.036 1.00 31.52 H new ATOM 0 HD12 ILE A 38 13.980 -4.554 -10.075 1.00 31.52 H new ATOM 0 HD13 ILE A 38 14.579 -5.266 -11.593 1.00 31.52 H new ATOM 581 N LYS A 39 17.858 -3.875 -13.179 1.00 75.21 N ATOM 582 CA LYS A 39 18.839 -4.824 -13.691 1.00 23.13 C ATOM 583 C LYS A 39 19.171 -5.881 -12.643 1.00 25.53 C ATOM 584 O LYS A 39 18.900 -5.698 -11.455 1.00 65.45 O ATOM 585 CB LYS A 39 20.115 -4.092 -14.114 1.00 13.34 C ATOM 586 CG LYS A 39 20.148 -3.730 -15.588 1.00 71.14 C ATOM 587 CD LYS A 39 21.190 -2.663 -15.878 1.00 2.03 C ATOM 588 CE LYS A 39 20.711 -1.285 -15.448 1.00 51.21 C ATOM 589 NZ LYS A 39 19.706 -0.727 -16.395 1.00 30.00 N ATOM 0 H LYS A 39 18.258 -3.009 -12.818 1.00 75.21 H new ATOM 0 HA LYS A 39 18.408 -5.321 -14.560 1.00 23.13 H new ATOM 0 HB2 LYS A 39 20.215 -3.182 -13.523 1.00 13.34 H new ATOM 0 HB3 LYS A 39 20.977 -4.718 -13.883 1.00 13.34 H new ATOM 0 HG2 LYS A 39 20.365 -4.621 -16.177 1.00 71.14 H new ATOM 0 HG3 LYS A 39 19.166 -3.374 -15.898 1.00 71.14 H new ATOM 0 HD2 LYS A 39 22.116 -2.906 -15.357 1.00 2.03 H new ATOM 0 HD3 LYS A 39 21.417 -2.654 -16.944 1.00 2.03 H new ATOM 0 HE2 LYS A 39 20.275 -1.347 -14.451 1.00 51.21 H new ATOM 0 HE3 LYS A 39 21.563 -0.608 -15.382 1.00 51.21 H new ATOM 0 HZ1 LYS A 39 19.505 0.262 -16.145 1.00 30.00 H new ATOM 0 HZ2 LYS A 39 20.081 -0.770 -17.364 1.00 30.00 H new ATOM 0 HZ3 LYS A 39 18.829 -1.283 -16.338 1.00 30.00 H new ATOM 603 N ILE A 40 19.760 -6.986 -13.089 1.00 3.20 N ATOM 604 CA ILE A 40 20.131 -8.070 -12.189 1.00 24.34 C ATOM 605 C ILE A 40 21.064 -7.576 -11.088 1.00 20.30 C ATOM 606 O ILE A 40 21.082 -8.120 -9.983 1.00 1.20 O ATOM 607 CB ILE A 40 20.816 -9.223 -12.947 1.00 50.43 C ATOM 608 CG1 ILE A 40 20.323 -10.572 -12.421 1.00 64.34 C ATOM 609 CG2 ILE A 40 22.328 -9.117 -12.818 1.00 22.43 C ATOM 610 CD1 ILE A 40 20.514 -10.746 -10.931 1.00 31.02 C ATOM 0 H ILE A 40 19.990 -7.153 -14.068 1.00 3.20 H new ATOM 0 HA ILE A 40 19.207 -8.438 -11.742 1.00 24.34 H new ATOM 0 HB ILE A 40 20.556 -9.150 -14.003 1.00 50.43 H new ATOM 0 HG12 ILE A 40 19.265 -10.681 -12.659 1.00 64.34 H new ATOM 0 HG13 ILE A 40 20.850 -11.371 -12.942 1.00 64.34 H new ATOM 0 HG21 ILE A 40 22.798 -9.939 -13.359 1.00 22.43 H new ATOM 0 HG22 ILE A 40 22.663 -8.168 -13.237 1.00 22.43 H new ATOM 0 HG23 ILE A 40 22.608 -9.168 -11.766 1.00 22.43 H new ATOM 0 HD11 ILE A 40 20.142 -11.725 -10.628 1.00 31.02 H new ATOM 0 HD12 ILE A 40 21.574 -10.670 -10.689 1.00 31.02 H new ATOM 0 HD13 ILE A 40 19.964 -9.969 -10.400 1.00 31.02 H new ATOM 622 N THR A 41 21.838 -6.540 -11.396 1.00 70.23 N ATOM 623 CA THR A 41 22.773 -5.972 -10.434 1.00 0.51 C ATOM 624 C THR A 41 22.187 -4.735 -9.762 1.00 74.12 C ATOM 625 O THR A 41 22.921 -3.859 -9.305 1.00 75.54 O ATOM 626 CB THR A 41 24.108 -5.594 -11.103 1.00 51.33 C ATOM 627 OG1 THR A 41 23.900 -4.540 -12.050 1.00 1.41 O ATOM 628 CG2 THR A 41 24.722 -6.797 -11.803 1.00 51.21 C ATOM 0 H THR A 41 21.835 -6.077 -12.305 1.00 70.23 H new ATOM 0 HA THR A 41 22.956 -6.739 -9.682 1.00 0.51 H new ATOM 0 HB THR A 41 24.795 -5.255 -10.327 1.00 51.33 H new ATOM 0 HG1 THR A 41 24.754 -4.304 -12.470 1.00 1.41 H new ATOM 0 HG21 THR A 41 25.664 -6.506 -12.268 1.00 51.21 H new ATOM 0 HG22 THR A 41 24.906 -7.587 -11.075 1.00 51.21 H new ATOM 0 HG23 THR A 41 24.037 -7.161 -12.568 1.00 51.21 H new ATOM 636 N GLU A 42 20.860 -4.671 -9.705 1.00 70.14 N ATOM 637 CA GLU A 42 20.176 -3.540 -9.089 1.00 22.53 C ATOM 638 C GLU A 42 19.274 -4.006 -7.949 1.00 52.15 C ATOM 639 O GLU A 42 18.964 -3.241 -7.036 1.00 24.24 O ATOM 640 CB GLU A 42 19.350 -2.785 -10.132 1.00 3.32 C ATOM 641 CG GLU A 42 18.880 -1.418 -9.662 1.00 73.52 C ATOM 642 CD GLU A 42 18.743 -0.425 -10.800 1.00 64.51 C ATOM 643 OE1 GLU A 42 18.818 -0.853 -11.971 1.00 54.44 O ATOM 644 OE2 GLU A 42 18.563 0.778 -10.520 1.00 21.12 O ATOM 0 H GLU A 42 20.238 -5.388 -10.078 1.00 70.14 H new ATOM 0 HA GLU A 42 20.932 -2.869 -8.681 1.00 22.53 H new ATOM 0 HB2 GLU A 42 19.946 -2.664 -11.037 1.00 3.32 H new ATOM 0 HB3 GLU A 42 18.481 -3.386 -10.400 1.00 3.32 H new ATOM 0 HG2 GLU A 42 17.919 -1.522 -9.158 1.00 73.52 H new ATOM 0 HG3 GLU A 42 19.585 -1.028 -8.928 1.00 73.52 H new ATOM 651 N VAL A 43 18.854 -5.266 -8.012 1.00 2.34 N ATOM 652 CA VAL A 43 17.988 -5.834 -6.986 1.00 71.40 C ATOM 653 C VAL A 43 18.728 -5.980 -5.661 1.00 35.40 C ATOM 654 O VAL A 43 18.113 -6.013 -4.596 1.00 24.35 O ATOM 655 CB VAL A 43 17.443 -7.211 -7.412 1.00 11.34 C ATOM 656 CG1 VAL A 43 18.579 -8.211 -7.565 1.00 12.31 C ATOM 657 CG2 VAL A 43 16.414 -7.709 -6.408 1.00 62.51 C ATOM 0 H VAL A 43 19.099 -5.912 -8.762 1.00 2.34 H new ATOM 0 HA VAL A 43 17.154 -5.144 -6.858 1.00 71.40 H new ATOM 0 HB VAL A 43 16.952 -7.106 -8.379 1.00 11.34 H new ATOM 0 HG11 VAL A 43 18.175 -9.177 -7.866 1.00 12.31 H new ATOM 0 HG12 VAL A 43 19.276 -7.857 -8.324 1.00 12.31 H new ATOM 0 HG13 VAL A 43 19.101 -8.317 -6.614 1.00 12.31 H new ATOM 0 HG21 VAL A 43 16.039 -8.683 -6.724 1.00 62.51 H new ATOM 0 HG22 VAL A 43 16.878 -7.800 -5.426 1.00 62.51 H new ATOM 0 HG23 VAL A 43 15.586 -7.002 -6.354 1.00 62.51 H new ATOM 667 N GLY A 44 20.052 -6.067 -5.735 1.00 63.42 N ATOM 668 CA GLY A 44 20.855 -6.209 -4.534 1.00 51.44 C ATOM 669 C GLY A 44 20.442 -5.240 -3.444 1.00 43.21 C ATOM 670 O GLY A 44 19.937 -5.634 -2.393 1.00 5.45 O ATOM 0 H GLY A 44 20.584 -6.042 -6.605 1.00 63.42 H new ATOM 0 HA2 GLY A 44 20.768 -7.229 -4.161 1.00 51.44 H new ATOM 0 HA3 GLY A 44 21.904 -6.048 -4.781 1.00 51.44 H new ATOM 674 N PRO A 45 20.659 -3.939 -3.690 1.00 24.14 N ATOM 675 CA PRO A 45 20.315 -2.884 -2.732 1.00 32.45 C ATOM 676 C PRO A 45 18.808 -2.706 -2.583 1.00 52.44 C ATOM 677 O PRO A 45 18.332 -2.173 -1.581 1.00 13.23 O ATOM 678 CB PRO A 45 20.945 -1.630 -3.343 1.00 34.31 C ATOM 679 CG PRO A 45 21.021 -1.918 -4.803 1.00 15.33 C ATOM 680 CD PRO A 45 21.257 -3.398 -4.922 1.00 4.14 C ATOM 0 HA PRO A 45 20.675 -3.111 -1.728 1.00 32.45 H new ATOM 0 HB2 PRO A 45 20.339 -0.746 -3.145 1.00 34.31 H new ATOM 0 HB3 PRO A 45 21.933 -1.440 -2.925 1.00 34.31 H new ATOM 0 HG2 PRO A 45 20.099 -1.628 -5.306 1.00 15.33 H new ATOM 0 HG3 PRO A 45 21.829 -1.355 -5.270 1.00 15.33 H new ATOM 0 HD2 PRO A 45 20.783 -3.810 -5.813 1.00 4.14 H new ATOM 0 HD3 PRO A 45 22.320 -3.631 -4.989 1.00 4.14 H new ATOM 688 N TYR A 46 18.062 -3.154 -3.587 1.00 61.20 N ATOM 689 CA TYR A 46 16.609 -3.042 -3.569 1.00 15.20 C ATOM 690 C TYR A 46 15.972 -4.298 -2.981 1.00 42.41 C ATOM 691 O TYR A 46 14.924 -4.749 -3.442 1.00 65.01 O ATOM 692 CB TYR A 46 16.077 -2.801 -4.983 1.00 20.30 C ATOM 693 CG TYR A 46 16.334 -1.403 -5.497 1.00 12.44 C ATOM 694 CD1 TYR A 46 16.071 -0.292 -4.705 1.00 13.54 C ATOM 695 CD2 TYR A 46 16.838 -1.192 -6.774 1.00 4.22 C ATOM 696 CE1 TYR A 46 16.303 0.988 -5.170 1.00 10.42 C ATOM 697 CE2 TYR A 46 17.075 0.084 -7.247 1.00 2.44 C ATOM 698 CZ TYR A 46 16.806 1.171 -6.441 1.00 53.12 C ATOM 699 OH TYR A 46 17.039 2.444 -6.909 1.00 51.01 O ATOM 0 H TYR A 46 18.440 -3.598 -4.424 1.00 61.20 H new ATOM 0 HA TYR A 46 16.344 -2.193 -2.939 1.00 15.20 H new ATOM 0 HB2 TYR A 46 16.537 -3.519 -5.662 1.00 20.30 H new ATOM 0 HB3 TYR A 46 15.004 -2.992 -4.996 1.00 20.30 H new ATOM 0 HD1 TYR A 46 15.678 -0.432 -3.709 1.00 13.54 H new ATOM 0 HD2 TYR A 46 17.048 -2.040 -7.408 1.00 4.22 H new ATOM 0 HE1 TYR A 46 16.092 1.841 -4.542 1.00 10.42 H new ATOM 0 HE2 TYR A 46 17.469 0.230 -8.242 1.00 2.44 H new ATOM 0 HH TYR A 46 17.394 2.397 -7.821 1.00 51.01 H new ATOM 709 N GLU A 47 16.614 -4.856 -1.960 1.00 3.24 N ATOM 710 CA GLU A 47 16.112 -6.060 -1.308 1.00 54.33 C ATOM 711 C GLU A 47 15.214 -5.704 -0.126 1.00 70.44 C ATOM 712 O GLU A 47 14.222 -6.384 0.140 1.00 5.20 O ATOM 713 CB GLU A 47 17.275 -6.934 -0.835 1.00 13.33 C ATOM 714 CG GLU A 47 17.791 -7.888 -1.898 1.00 45.14 C ATOM 715 CD GLU A 47 18.767 -8.908 -1.343 1.00 55.21 C ATOM 716 OE1 GLU A 47 19.979 -8.778 -1.615 1.00 74.21 O ATOM 717 OE2 GLU A 47 18.318 -9.835 -0.637 1.00 62.24 O ATOM 0 H GLU A 47 17.483 -4.494 -1.566 1.00 3.24 H new ATOM 0 HA GLU A 47 15.522 -6.617 -2.036 1.00 54.33 H new ATOM 0 HB2 GLU A 47 18.092 -6.291 -0.508 1.00 13.33 H new ATOM 0 HB3 GLU A 47 16.956 -7.510 0.034 1.00 13.33 H new ATOM 0 HG2 GLU A 47 16.948 -8.408 -2.354 1.00 45.14 H new ATOM 0 HG3 GLU A 47 18.279 -7.317 -2.688 1.00 45.14 H new ATOM 724 N ASP A 48 15.569 -4.636 0.578 1.00 25.05 N ATOM 725 CA ASP A 48 14.797 -4.189 1.732 1.00 71.22 C ATOM 726 C ASP A 48 13.508 -3.504 1.290 1.00 54.03 C ATOM 727 O ASP A 48 12.409 -3.987 1.565 1.00 14.43 O ATOM 728 CB ASP A 48 15.628 -3.234 2.590 1.00 30.53 C ATOM 729 CG ASP A 48 16.787 -3.932 3.275 1.00 44.45 C ATOM 730 OD1 ASP A 48 16.931 -5.159 3.096 1.00 71.41 O ATOM 731 OD2 ASP A 48 17.552 -3.249 3.988 1.00 70.22 O ATOM 0 H ASP A 48 16.387 -4.063 0.370 1.00 25.05 H new ATOM 0 HA ASP A 48 14.537 -5.065 2.326 1.00 71.22 H new ATOM 0 HB2 ASP A 48 16.011 -2.428 1.964 1.00 30.53 H new ATOM 0 HB3 ASP A 48 14.987 -2.776 3.343 1.00 30.53 H new ATOM 736 N THR A 49 13.649 -2.375 0.603 1.00 40.43 N ATOM 737 CA THR A 49 12.497 -1.621 0.124 1.00 34.54 C ATOM 738 C THR A 49 11.539 -2.517 -0.654 1.00 1.15 C ATOM 739 O THR A 49 10.355 -2.606 -0.329 1.00 4.12 O ATOM 740 CB THR A 49 12.927 -0.446 -0.774 1.00 33.43 C ATOM 741 OG1 THR A 49 13.637 -0.937 -1.916 1.00 71.31 O ATOM 742 CG2 THR A 49 13.805 0.529 -0.005 1.00 1.11 C ATOM 0 H THR A 49 14.551 -1.962 0.366 1.00 40.43 H new ATOM 0 HA THR A 49 11.989 -1.227 1.004 1.00 34.54 H new ATOM 0 HB THR A 49 12.030 0.079 -1.103 1.00 33.43 H new ATOM 0 HG1 THR A 49 13.905 -0.184 -2.483 1.00 71.31 H new ATOM 0 HG21 THR A 49 14.096 1.350 -0.660 1.00 1.11 H new ATOM 0 HG22 THR A 49 13.251 0.923 0.847 1.00 1.11 H new ATOM 0 HG23 THR A 49 14.698 0.013 0.349 1.00 1.11 H new ATOM 750 N ALA A 50 12.059 -3.179 -1.682 1.00 21.12 N ATOM 751 CA ALA A 50 11.250 -4.070 -2.504 1.00 63.13 C ATOM 752 C ALA A 50 10.757 -5.266 -1.697 1.00 15.43 C ATOM 753 O ALA A 50 11.534 -5.923 -1.005 1.00 21.31 O ATOM 754 CB ALA A 50 12.046 -4.540 -3.713 1.00 51.33 C ATOM 0 H ALA A 50 13.037 -3.115 -1.965 1.00 21.12 H new ATOM 0 HA ALA A 50 10.379 -3.514 -2.849 1.00 63.13 H new ATOM 0 HB1 ALA A 50 11.430 -5.205 -4.318 1.00 51.33 H new ATOM 0 HB2 ALA A 50 12.344 -3.678 -4.310 1.00 51.33 H new ATOM 0 HB3 ALA A 50 12.935 -5.074 -3.378 1.00 51.33 H new ATOM 760 N ASP A 51 9.460 -5.541 -1.789 1.00 23.03 N ATOM 761 CA ASP A 51 8.863 -6.658 -1.067 1.00 32.25 C ATOM 762 C ASP A 51 8.892 -7.929 -1.911 1.00 13.45 C ATOM 763 O ASP A 51 9.556 -8.905 -1.560 1.00 11.13 O ATOM 764 CB ASP A 51 7.423 -6.326 -0.671 1.00 70.24 C ATOM 765 CG ASP A 51 7.349 -5.261 0.405 1.00 51.13 C ATOM 766 OD1 ASP A 51 8.068 -4.247 0.286 1.00 23.41 O ATOM 767 OD2 ASP A 51 6.572 -5.441 1.366 1.00 21.21 O ATOM 0 H ASP A 51 8.803 -5.006 -2.356 1.00 23.03 H new ATOM 0 HA ASP A 51 9.449 -6.830 -0.164 1.00 32.25 H new ATOM 0 HB2 ASP A 51 6.876 -5.988 -1.551 1.00 70.24 H new ATOM 0 HB3 ASP A 51 6.929 -7.231 -0.317 1.00 70.24 H new ATOM 772 N LEU A 52 8.167 -7.910 -3.024 1.00 12.24 N ATOM 773 CA LEU A 52 8.108 -9.061 -3.918 1.00 42.20 C ATOM 774 C LEU A 52 9.106 -8.912 -5.063 1.00 35.34 C ATOM 775 O LEU A 52 9.490 -7.800 -5.425 1.00 53.52 O ATOM 776 CB LEU A 52 6.694 -9.226 -4.477 1.00 11.40 C ATOM 777 CG LEU A 52 5.686 -9.918 -3.559 1.00 12.42 C ATOM 778 CD1 LEU A 52 6.167 -11.313 -3.194 1.00 32.34 C ATOM 779 CD2 LEU A 52 5.449 -9.088 -2.305 1.00 41.03 C ATOM 0 H LEU A 52 7.612 -7.110 -3.329 1.00 12.24 H new ATOM 0 HA LEU A 52 8.371 -9.950 -3.344 1.00 42.20 H new ATOM 0 HB2 LEU A 52 6.307 -8.239 -4.729 1.00 11.40 H new ATOM 0 HB3 LEU A 52 6.756 -9.791 -5.407 1.00 11.40 H new ATOM 0 HG LEU A 52 4.740 -10.010 -4.093 1.00 12.42 H new ATOM 0 HD11 LEU A 52 5.437 -11.790 -2.540 1.00 32.34 H new ATOM 0 HD12 LEU A 52 6.284 -11.906 -4.101 1.00 32.34 H new ATOM 0 HD13 LEU A 52 7.125 -11.244 -2.679 1.00 32.34 H new ATOM 0 HD21 LEU A 52 4.729 -9.596 -1.663 1.00 41.03 H new ATOM 0 HD22 LEU A 52 6.389 -8.964 -1.768 1.00 41.03 H new ATOM 0 HD23 LEU A 52 5.059 -8.109 -2.585 1.00 41.03 H new ATOM 791 N LEU A 53 9.520 -10.040 -5.629 1.00 73.13 N ATOM 792 CA LEU A 53 10.471 -10.036 -6.735 1.00 60.13 C ATOM 793 C LEU A 53 10.228 -11.219 -7.667 1.00 21.32 C ATOM 794 O LEU A 53 10.195 -12.370 -7.230 1.00 42.04 O ATOM 795 CB LEU A 53 11.904 -10.078 -6.202 1.00 31.45 C ATOM 796 CG LEU A 53 13.004 -10.274 -7.246 1.00 13.22 C ATOM 797 CD1 LEU A 53 12.882 -9.235 -8.350 1.00 22.02 C ATOM 798 CD2 LEU A 53 14.377 -10.204 -6.594 1.00 11.33 C ATOM 0 H LEU A 53 9.212 -10.969 -5.341 1.00 73.13 H new ATOM 0 HA LEU A 53 10.327 -9.116 -7.301 1.00 60.13 H new ATOM 0 HB2 LEU A 53 12.099 -9.148 -5.668 1.00 31.45 H new ATOM 0 HB3 LEU A 53 11.975 -10.885 -5.473 1.00 31.45 H new ATOM 0 HG LEU A 53 12.885 -11.262 -7.690 1.00 13.22 H new ATOM 0 HD11 LEU A 53 13.673 -9.390 -9.084 1.00 22.02 H new ATOM 0 HD12 LEU A 53 11.911 -9.333 -8.836 1.00 22.02 H new ATOM 0 HD13 LEU A 53 12.974 -8.237 -7.922 1.00 22.02 H new ATOM 0 HD21 LEU A 53 15.147 -10.346 -7.352 1.00 11.33 H new ATOM 0 HD22 LEU A 53 14.507 -9.230 -6.122 1.00 11.33 H new ATOM 0 HD23 LEU A 53 14.462 -10.986 -5.840 1.00 11.33 H new ATOM 810 N VAL A 54 10.060 -10.929 -8.953 1.00 3.40 N ATOM 811 CA VAL A 54 9.824 -11.968 -9.947 1.00 71.53 C ATOM 812 C VAL A 54 10.879 -11.927 -11.047 1.00 55.14 C ATOM 813 O VAL A 54 11.037 -10.917 -11.734 1.00 4.35 O ATOM 814 CB VAL A 54 8.428 -11.830 -10.584 1.00 2.53 C ATOM 815 CG1 VAL A 54 8.148 -12.998 -11.516 1.00 52.15 C ATOM 816 CG2 VAL A 54 7.359 -11.729 -9.506 1.00 43.51 C ATOM 0 H VAL A 54 10.083 -9.982 -9.331 1.00 3.40 H new ATOM 0 HA VAL A 54 9.884 -12.923 -9.426 1.00 71.53 H new ATOM 0 HB VAL A 54 8.406 -10.913 -11.173 1.00 2.53 H new ATOM 0 HG11 VAL A 54 7.158 -12.883 -11.956 1.00 52.15 H new ATOM 0 HG12 VAL A 54 8.897 -13.019 -12.308 1.00 52.15 H new ATOM 0 HG13 VAL A 54 8.189 -13.931 -10.953 1.00 52.15 H new ATOM 0 HG21 VAL A 54 6.379 -11.632 -9.973 1.00 43.51 H new ATOM 0 HG22 VAL A 54 7.379 -12.627 -8.888 1.00 43.51 H new ATOM 0 HG23 VAL A 54 7.552 -10.856 -8.883 1.00 43.51 H new ATOM 826 N THR A 55 11.599 -13.032 -11.211 1.00 73.44 N ATOM 827 CA THR A 55 12.639 -13.123 -12.228 1.00 2.12 C ATOM 828 C THR A 55 12.847 -14.565 -12.675 1.00 60.31 C ATOM 829 O THR A 55 12.652 -15.502 -11.899 1.00 44.41 O ATOM 830 CB THR A 55 13.977 -12.559 -11.714 1.00 3.03 C ATOM 831 OG1 THR A 55 14.982 -12.680 -12.727 1.00 54.22 O ATOM 832 CG2 THR A 55 14.426 -13.291 -10.458 1.00 2.00 C ATOM 0 H THR A 55 11.481 -13.877 -10.652 1.00 73.44 H new ATOM 0 HA THR A 55 12.304 -12.528 -13.077 1.00 2.12 H new ATOM 0 HB THR A 55 13.832 -11.506 -11.470 1.00 3.03 H new ATOM 0 HG1 THR A 55 15.829 -12.318 -12.393 1.00 54.22 H new ATOM 0 HG21 THR A 55 15.373 -12.875 -10.114 1.00 2.00 H new ATOM 0 HG22 THR A 55 13.673 -13.172 -9.679 1.00 2.00 H new ATOM 0 HG23 THR A 55 14.554 -14.350 -10.680 1.00 2.00 H new ATOM 840 N THR A 56 13.244 -14.739 -13.932 1.00 24.02 N ATOM 841 CA THR A 56 13.478 -16.068 -14.483 1.00 4.13 C ATOM 842 C THR A 56 14.669 -16.740 -13.809 1.00 61.42 C ATOM 843 O THR A 56 14.671 -17.953 -13.598 1.00 2.35 O ATOM 844 CB THR A 56 13.727 -16.010 -16.002 1.00 22.53 C ATOM 845 OG1 THR A 56 14.985 -15.380 -16.269 1.00 21.34 O ATOM 846 CG2 THR A 56 12.614 -15.249 -16.704 1.00 55.32 C ATOM 0 H THR A 56 13.410 -13.976 -14.588 1.00 24.02 H new ATOM 0 HA THR A 56 12.578 -16.653 -14.292 1.00 4.13 H new ATOM 0 HB THR A 56 13.744 -17.031 -16.384 1.00 22.53 H new ATOM 0 HG1 THR A 56 15.136 -15.349 -17.237 1.00 21.34 H new ATOM 0 HG21 THR A 56 12.812 -15.221 -17.776 1.00 55.32 H new ATOM 0 HG22 THR A 56 11.662 -15.748 -16.524 1.00 55.32 H new ATOM 0 HG23 THR A 56 12.569 -14.231 -16.317 1.00 55.32 H new ATOM 854 N ALA A 57 15.680 -15.946 -13.474 1.00 41.40 N ATOM 855 CA ALA A 57 16.876 -16.464 -12.822 1.00 32.44 C ATOM 856 C ALA A 57 16.706 -16.492 -11.306 1.00 63.34 C ATOM 857 O ALA A 57 15.608 -16.285 -10.792 1.00 32.43 O ATOM 858 CB ALA A 57 18.090 -15.630 -13.204 1.00 34.24 C ATOM 0 H ALA A 57 15.695 -14.940 -13.644 1.00 41.40 H new ATOM 0 HA ALA A 57 17.031 -17.487 -13.163 1.00 32.44 H new ATOM 0 HB1 ALA A 57 18.976 -16.029 -12.709 1.00 34.24 H new ATOM 0 HB2 ALA A 57 18.231 -15.666 -14.284 1.00 34.24 H new ATOM 0 HB3 ALA A 57 17.935 -14.597 -12.892 1.00 34.24 H new ATOM 954 N TYR A 63 18.103 -13.953 -0.925 1.00 72.44 N ATOM 955 CA TYR A 63 16.897 -13.148 -1.077 1.00 51.14 C ATOM 956 C TYR A 63 16.100 -13.110 0.223 1.00 51.40 C ATOM 957 O TYR A 63 15.838 -14.145 0.836 1.00 50.22 O ATOM 958 CB TYR A 63 16.026 -13.703 -2.206 1.00 44.10 C ATOM 959 CG TYR A 63 16.579 -13.430 -3.587 1.00 33.02 C ATOM 960 CD1 TYR A 63 16.621 -14.431 -4.550 1.00 32.03 C ATOM 961 CD2 TYR A 63 17.059 -12.172 -3.928 1.00 64.14 C ATOM 962 CE1 TYR A 63 17.125 -14.187 -5.812 1.00 42.34 C ATOM 963 CE2 TYR A 63 17.564 -11.918 -5.189 1.00 60.30 C ATOM 964 CZ TYR A 63 17.595 -12.929 -6.127 1.00 41.24 C ATOM 965 OH TYR A 63 18.098 -12.680 -7.384 1.00 24.42 O ATOM 0 HA TYR A 63 17.199 -12.131 -1.327 1.00 51.14 H new ATOM 0 HB2 TYR A 63 15.917 -14.779 -2.074 1.00 44.10 H new ATOM 0 HB3 TYR A 63 15.029 -13.270 -2.131 1.00 44.10 H new ATOM 0 HD1 TYR A 63 16.253 -15.417 -4.307 1.00 32.03 H new ATOM 0 HD2 TYR A 63 17.037 -11.379 -3.195 1.00 64.14 H new ATOM 0 HE1 TYR A 63 17.151 -14.977 -6.548 1.00 42.34 H new ATOM 0 HE2 TYR A 63 17.932 -10.934 -5.439 1.00 60.30 H new ATOM 0 HH TYR A 63 18.386 -11.745 -7.442 1.00 24.42 H new ATOM 975 N LYS A 64 15.716 -11.907 0.639 1.00 71.44 N ATOM 976 CA LYS A 64 14.947 -11.731 1.865 1.00 52.24 C ATOM 977 C LYS A 64 13.452 -11.680 1.566 1.00 13.34 C ATOM 978 O LYS A 64 12.713 -10.908 2.178 1.00 34.23 O ATOM 979 CB LYS A 64 15.379 -10.450 2.582 1.00 54.31 C ATOM 980 CG LYS A 64 16.883 -10.321 2.743 1.00 4.40 C ATOM 981 CD LYS A 64 17.432 -11.358 3.708 1.00 70.52 C ATOM 982 CE LYS A 64 17.293 -10.905 5.153 1.00 51.22 C ATOM 983 NZ LYS A 64 18.358 -9.937 5.535 1.00 23.34 N ATOM 0 H LYS A 64 15.925 -11.040 0.145 1.00 71.44 H new ATOM 0 HA LYS A 64 15.141 -12.586 2.513 1.00 52.24 H new ATOM 0 HB2 LYS A 64 15.006 -9.589 2.026 1.00 54.31 H new ATOM 0 HB3 LYS A 64 14.913 -10.420 3.567 1.00 54.31 H new ATOM 0 HG2 LYS A 64 17.365 -10.435 1.772 1.00 4.40 H new ATOM 0 HG3 LYS A 64 17.127 -9.322 3.104 1.00 4.40 H new ATOM 0 HD2 LYS A 64 16.904 -12.301 3.569 1.00 70.52 H new ATOM 0 HD3 LYS A 64 18.482 -11.545 3.484 1.00 70.52 H new ATOM 0 HE2 LYS A 64 16.315 -10.445 5.297 1.00 51.22 H new ATOM 0 HE3 LYS A 64 17.337 -11.772 5.812 1.00 51.22 H new ATOM 0 HZ1 LYS A 64 18.229 -9.652 6.527 1.00 23.34 H new ATOM 0 HZ2 LYS A 64 19.290 -10.384 5.422 1.00 23.34 H new ATOM 0 HZ3 LYS A 64 18.300 -9.098 4.923 1.00 23.34 H new ATOM 997 N PHE A 65 13.012 -12.507 0.624 1.00 44.12 N ATOM 998 CA PHE A 65 11.605 -12.556 0.245 1.00 20.11 C ATOM 999 C PHE A 65 11.319 -13.774 -0.629 1.00 2.21 C ATOM 1000 O PHE A 65 12.212 -14.339 -1.261 1.00 32.32 O ATOM 1001 CB PHE A 65 11.210 -11.278 -0.497 1.00 14.32 C ATOM 1002 CG PHE A 65 12.248 -10.806 -1.474 1.00 70.44 C ATOM 1003 CD1 PHE A 65 12.867 -9.578 -1.309 1.00 41.13 C ATOM 1004 CD2 PHE A 65 12.604 -11.592 -2.559 1.00 5.22 C ATOM 1005 CE1 PHE A 65 13.823 -9.141 -2.207 1.00 23.41 C ATOM 1006 CE2 PHE A 65 13.560 -11.161 -3.459 1.00 42.33 C ATOM 1007 CZ PHE A 65 14.169 -9.934 -3.284 1.00 4.41 C ATOM 0 H PHE A 65 13.610 -13.153 0.109 1.00 44.12 H new ATOM 0 HA PHE A 65 11.012 -12.637 1.156 1.00 20.11 H new ATOM 0 HB2 PHE A 65 10.274 -11.451 -1.029 1.00 14.32 H new ATOM 0 HB3 PHE A 65 11.022 -10.488 0.231 1.00 14.32 H new ATOM 0 HD1 PHE A 65 12.600 -8.954 -0.469 1.00 41.13 H new ATOM 0 HD2 PHE A 65 12.129 -12.551 -2.702 1.00 5.22 H new ATOM 0 HE1 PHE A 65 14.298 -8.181 -2.067 1.00 23.41 H new ATOM 0 HE2 PHE A 65 13.831 -11.784 -4.299 1.00 42.33 H new ATOM 0 HZ PHE A 65 14.915 -9.595 -3.988 1.00 4.41 H new ATOM 1017 N PRO A 66 10.044 -14.189 -0.666 1.00 42.52 N ATOM 1018 CA PRO A 66 9.610 -15.343 -1.459 1.00 1.14 C ATOM 1019 C PRO A 66 9.668 -15.072 -2.958 1.00 44.30 C ATOM 1020 O PRO A 66 8.688 -14.630 -3.558 1.00 21.41 O ATOM 1021 CB PRO A 66 8.162 -15.557 -1.010 1.00 3.12 C ATOM 1022 CG PRO A 66 7.713 -14.220 -0.531 1.00 14.12 C ATOM 1023 CD PRO A 66 8.928 -13.562 0.062 1.00 70.11 C ATOM 0 HA PRO A 66 10.252 -16.210 -1.302 1.00 1.14 H new ATOM 0 HB2 PRO A 66 7.541 -15.912 -1.832 1.00 3.12 H new ATOM 0 HB3 PRO A 66 8.099 -16.303 -0.218 1.00 3.12 H new ATOM 0 HG2 PRO A 66 7.310 -13.627 -1.352 1.00 14.12 H new ATOM 0 HG3 PRO A 66 6.921 -14.317 0.211 1.00 14.12 H new ATOM 0 HD2 PRO A 66 8.911 -12.482 -0.082 1.00 70.11 H new ATOM 0 HD3 PRO A 66 8.998 -13.740 1.135 1.00 70.11 H new ATOM 1031 N VAL A 67 10.824 -15.339 -3.559 1.00 12.14 N ATOM 1032 CA VAL A 67 11.009 -15.125 -4.989 1.00 23.21 C ATOM 1033 C VAL A 67 10.082 -16.020 -5.803 1.00 54.12 C ATOM 1034 O VAL A 67 9.790 -17.150 -5.410 1.00 64.03 O ATOM 1035 CB VAL A 67 12.466 -15.394 -5.412 1.00 54.33 C ATOM 1036 CG1 VAL A 67 12.647 -15.129 -6.899 1.00 60.42 C ATOM 1037 CG2 VAL A 67 13.424 -14.545 -4.591 1.00 0.14 C ATOM 0 H VAL A 67 11.646 -15.704 -3.077 1.00 12.14 H new ATOM 0 HA VAL A 67 10.767 -14.081 -5.187 1.00 23.21 H new ATOM 0 HB VAL A 67 12.693 -16.443 -5.223 1.00 54.33 H new ATOM 0 HG11 VAL A 67 13.682 -15.324 -7.180 1.00 60.42 H new ATOM 0 HG12 VAL A 67 11.987 -15.783 -7.468 1.00 60.42 H new ATOM 0 HG13 VAL A 67 12.402 -14.089 -7.116 1.00 60.42 H new ATOM 0 HG21 VAL A 67 14.449 -14.748 -4.903 1.00 0.14 H new ATOM 0 HG22 VAL A 67 13.199 -13.490 -4.746 1.00 0.14 H new ATOM 0 HG23 VAL A 67 13.312 -14.788 -3.534 1.00 0.14 H new ATOM 1047 N ILE A 68 9.621 -15.507 -6.939 1.00 70.21 N ATOM 1048 CA ILE A 68 8.727 -16.261 -7.810 1.00 3.22 C ATOM 1049 C ILE A 68 9.303 -16.381 -9.217 1.00 11.02 C ATOM 1050 O ILE A 68 9.410 -15.392 -9.941 1.00 74.41 O ATOM 1051 CB ILE A 68 7.336 -15.606 -7.891 1.00 12.22 C ATOM 1052 CG1 ILE A 68 6.810 -15.299 -6.487 1.00 71.31 C ATOM 1053 CG2 ILE A 68 6.368 -16.510 -8.639 1.00 53.13 C ATOM 1054 CD1 ILE A 68 6.568 -16.535 -5.649 1.00 75.23 C ATOM 0 H ILE A 68 9.852 -14.573 -7.278 1.00 70.21 H new ATOM 0 HA ILE A 68 8.627 -17.255 -7.375 1.00 3.22 H new ATOM 0 HB ILE A 68 7.424 -14.668 -8.439 1.00 12.22 H new ATOM 0 HG12 ILE A 68 7.524 -14.655 -5.973 1.00 71.31 H new ATOM 0 HG13 ILE A 68 5.879 -14.739 -6.571 1.00 71.31 H new ATOM 0 HG21 ILE A 68 5.389 -16.033 -8.688 1.00 53.13 H new ATOM 0 HG22 ILE A 68 6.738 -16.683 -9.649 1.00 53.13 H new ATOM 0 HG23 ILE A 68 6.282 -17.463 -8.116 1.00 53.13 H new ATOM 0 HD11 ILE A 68 6.196 -16.242 -4.667 1.00 75.23 H new ATOM 0 HD12 ILE A 68 5.831 -17.170 -6.141 1.00 75.23 H new ATOM 0 HD13 ILE A 68 7.502 -17.085 -5.534 1.00 75.23 H new ATOM 1066 N ASN A 69 9.671 -17.600 -9.597 1.00 70.05 N ATOM 1067 CA ASN A 69 10.235 -17.850 -10.919 1.00 72.40 C ATOM 1068 C ASN A 69 9.341 -17.269 -12.011 1.00 23.24 C ATOM 1069 O ASN A 69 8.118 -17.384 -11.952 1.00 35.41 O ATOM 1070 CB ASN A 69 10.419 -19.353 -11.141 1.00 40.14 C ATOM 1071 CG ASN A 69 11.477 -19.658 -12.184 1.00 42.51 C ATOM 1072 OD1 ASN A 69 11.806 -18.812 -13.017 1.00 34.22 O ATOM 1073 ND2 ASN A 69 12.016 -20.870 -12.143 1.00 23.41 N ATOM 0 H ASN A 69 9.589 -18.430 -9.009 1.00 70.05 H new ATOM 0 HA ASN A 69 11.207 -17.359 -10.971 1.00 72.40 H new ATOM 0 HB2 ASN A 69 10.695 -19.826 -10.198 1.00 40.14 H new ATOM 0 HB3 ASN A 69 9.470 -19.791 -11.451 1.00 40.14 H new ATOM 0 HD21 ASN A 69 12.733 -21.132 -12.819 1.00 23.41 H new ATOM 0 HD22 ASN A 69 11.713 -21.539 -11.435 1.00 23.41 H new ATOM 1080 N ALA A 70 9.962 -16.645 -13.006 1.00 64.10 N ATOM 1081 CA ALA A 70 9.224 -16.048 -14.112 1.00 64.33 C ATOM 1082 C ALA A 70 9.138 -17.007 -15.295 1.00 13.00 C ATOM 1083 O ALA A 70 9.155 -16.584 -16.451 1.00 63.42 O ATOM 1084 CB ALA A 70 9.876 -14.741 -14.537 1.00 40.40 C ATOM 0 H ALA A 70 10.975 -16.540 -13.069 1.00 64.10 H new ATOM 0 HA ALA A 70 8.210 -15.841 -13.770 1.00 64.33 H new ATOM 0 HB1 ALA A 70 9.314 -14.306 -15.364 1.00 40.40 H new ATOM 0 HB2 ALA A 70 9.881 -14.047 -13.697 1.00 40.40 H new ATOM 0 HB3 ALA A 70 10.901 -14.932 -14.855 1.00 40.40 H new ATOM 1090 N ARG A 71 9.045 -18.299 -14.998 1.00 12.02 N ATOM 1091 CA ARG A 71 8.957 -19.318 -16.037 1.00 44.42 C ATOM 1092 C ARG A 71 7.571 -19.326 -16.675 1.00 44.34 C ATOM 1093 O ARG A 71 7.430 -19.571 -17.873 1.00 0.44 O ATOM 1094 CB ARG A 71 9.271 -20.698 -15.456 1.00 42.43 C ATOM 1095 CG ARG A 71 10.758 -21.002 -15.380 1.00 23.42 C ATOM 1096 CD ARG A 71 11.338 -21.295 -16.755 1.00 5.33 C ATOM 1097 NE ARG A 71 12.784 -21.494 -16.707 1.00 64.34 N ATOM 1098 CZ ARG A 71 13.554 -21.554 -17.789 1.00 11.54 C ATOM 1099 NH1 ARG A 71 13.018 -21.429 -18.995 1.00 44.50 N ATOM 1100 NH2 ARG A 71 14.862 -21.738 -17.664 1.00 41.41 N ATOM 0 H ARG A 71 9.029 -18.665 -14.046 1.00 12.02 H new ATOM 0 HA ARG A 71 9.691 -19.080 -16.807 1.00 44.42 H new ATOM 0 HB2 ARG A 71 8.843 -20.768 -14.456 1.00 42.43 H new ATOM 0 HB3 ARG A 71 8.784 -21.459 -16.065 1.00 42.43 H new ATOM 0 HG2 ARG A 71 11.281 -20.155 -14.936 1.00 23.42 H new ATOM 0 HG3 ARG A 71 10.923 -21.857 -14.725 1.00 23.42 H new ATOM 0 HD2 ARG A 71 10.863 -22.185 -17.167 1.00 5.33 H new ATOM 0 HD3 ARG A 71 11.108 -20.470 -17.429 1.00 5.33 H new ATOM 0 HE ARG A 71 13.227 -21.592 -15.794 1.00 64.34 H new ATOM 0 HH11 ARG A 71 12.013 -21.286 -19.094 1.00 44.50 H new ATOM 0 HH12 ARG A 71 13.611 -21.475 -19.824 1.00 44.50 H new ATOM 0 HH21 ARG A 71 15.277 -21.834 -16.737 1.00 41.41 H new ATOM 0 HH22 ARG A 71 15.452 -21.784 -18.495 1.00 41.41 H new ATOM 1114 N ASN A 72 6.552 -19.057 -15.867 1.00 14.35 N ATOM 1115 CA ASN A 72 5.176 -19.034 -16.352 1.00 25.11 C ATOM 1116 C ASN A 72 4.998 -17.971 -17.432 1.00 22.41 C ATOM 1117 O ASN A 72 4.139 -18.096 -18.305 1.00 12.02 O ATOM 1118 CB ASN A 72 4.210 -18.769 -15.196 1.00 31.43 C ATOM 1119 CG ASN A 72 2.928 -19.571 -15.318 1.00 65.04 C ATOM 1120 OD1 ASN A 72 2.919 -20.664 -15.886 1.00 15.52 O ATOM 1121 ND2 ASN A 72 1.839 -19.030 -14.786 1.00 20.04 N ATOM 0 H ASN A 72 6.652 -18.852 -14.873 1.00 14.35 H new ATOM 0 HA ASN A 72 4.954 -20.009 -16.786 1.00 25.11 H new ATOM 0 HB2 ASN A 72 4.700 -19.013 -14.253 1.00 31.43 H new ATOM 0 HB3 ASN A 72 3.969 -17.706 -15.164 1.00 31.43 H new ATOM 0 HD21 ASN A 72 0.947 -19.522 -14.838 1.00 20.04 H new ATOM 0 HD22 ASN A 72 1.894 -18.122 -14.325 1.00 20.04 H new ATOM 1128 N PHE A 73 5.817 -16.926 -17.367 1.00 34.41 N ATOM 1129 CA PHE A 73 5.750 -15.841 -18.339 1.00 34.23 C ATOM 1130 C PHE A 73 6.649 -16.129 -19.538 1.00 13.54 C ATOM 1131 O PHE A 73 7.382 -15.255 -20.002 1.00 5.45 O ATOM 1132 CB PHE A 73 6.157 -14.518 -17.687 1.00 21.44 C ATOM 1133 CG PHE A 73 5.179 -14.032 -16.655 1.00 65.32 C ATOM 1134 CD1 PHE A 73 5.043 -14.693 -15.445 1.00 2.11 C ATOM 1135 CD2 PHE A 73 4.396 -12.915 -16.896 1.00 43.12 C ATOM 1136 CE1 PHE A 73 4.145 -14.248 -14.493 1.00 52.04 C ATOM 1137 CE2 PHE A 73 3.497 -12.465 -15.948 1.00 74.23 C ATOM 1138 CZ PHE A 73 3.370 -13.133 -14.746 1.00 73.20 C ATOM 0 H PHE A 73 6.534 -16.808 -16.652 1.00 34.41 H new ATOM 0 HA PHE A 73 4.721 -15.763 -18.690 1.00 34.23 H new ATOM 0 HB2 PHE A 73 7.135 -14.638 -17.221 1.00 21.44 H new ATOM 0 HB3 PHE A 73 6.263 -13.758 -18.461 1.00 21.44 H new ATOM 0 HD1 PHE A 73 5.646 -15.566 -15.243 1.00 2.11 H new ATOM 0 HD2 PHE A 73 4.489 -12.390 -17.835 1.00 43.12 H new ATOM 0 HE1 PHE A 73 4.050 -14.771 -13.553 1.00 52.04 H new ATOM 0 HE2 PHE A 73 2.894 -11.591 -16.147 1.00 74.23 H new ATOM 0 HZ PHE A 73 2.666 -12.784 -14.005 1.00 73.20 H new ATOM 1148 N LEU A 74 6.587 -17.359 -20.034 1.00 72.03 N ATOM 1149 CA LEU A 74 7.395 -17.764 -21.179 1.00 43.52 C ATOM 1150 C LEU A 74 6.639 -18.757 -22.056 1.00 43.51 C ATOM 1151 O LEU A 74 7.237 -19.640 -22.671 1.00 25.33 O ATOM 1152 CB LEU A 74 8.711 -18.383 -20.706 1.00 5.22 C ATOM 1153 CG LEU A 74 9.891 -17.421 -20.557 1.00 53.21 C ATOM 1154 CD1 LEU A 74 10.976 -18.037 -19.689 1.00 23.33 C ATOM 1155 CD2 LEU A 74 10.447 -17.044 -21.922 1.00 61.15 C ATOM 0 H LEU A 74 5.986 -18.094 -19.661 1.00 72.03 H new ATOM 0 HA LEU A 74 7.611 -16.875 -21.772 1.00 43.52 H new ATOM 0 HB2 LEU A 74 8.537 -18.865 -19.744 1.00 5.22 H new ATOM 0 HB3 LEU A 74 8.994 -19.167 -21.409 1.00 5.22 H new ATOM 0 HG LEU A 74 9.536 -16.514 -20.068 1.00 53.21 H new ATOM 0 HD11 LEU A 74 11.807 -17.338 -19.595 1.00 23.33 H new ATOM 0 HD12 LEU A 74 10.571 -18.255 -18.701 1.00 23.33 H new ATOM 0 HD13 LEU A 74 11.329 -18.960 -20.148 1.00 23.33 H new ATOM 0 HD21 LEU A 74 11.286 -16.359 -21.797 1.00 61.15 H new ATOM 0 HD22 LEU A 74 10.786 -17.943 -22.438 1.00 61.15 H new ATOM 0 HD23 LEU A 74 9.668 -16.560 -22.511 1.00 61.15 H new ATOM 1207 N GLY A 78 0.564 -17.824 -19.363 1.00 23.21 N ATOM 1208 CA GLY A 78 0.930 -18.317 -18.048 1.00 14.44 C ATOM 1209 C GLY A 78 1.169 -17.196 -17.055 1.00 35.31 C ATOM 1210 O GLY A 78 2.290 -17.005 -16.583 1.00 35.45 O ATOM 0 HA2 GLY A 78 0.139 -18.967 -17.674 1.00 14.44 H new ATOM 0 HA3 GLY A 78 1.831 -18.925 -18.129 1.00 14.44 H new ATOM 1214 N ILE A 79 0.114 -16.453 -16.739 1.00 15.11 N ATOM 1215 CA ILE A 79 0.215 -15.345 -15.797 1.00 34.54 C ATOM 1216 C ILE A 79 -0.800 -15.490 -14.667 1.00 62.42 C ATOM 1217 O ILE A 79 -0.440 -15.470 -13.491 1.00 22.03 O ATOM 1218 CB ILE A 79 -0.002 -13.990 -16.495 1.00 71.23 C ATOM 1219 CG1 ILE A 79 0.886 -13.884 -17.736 1.00 45.24 C ATOM 1220 CG2 ILE A 79 0.283 -12.847 -15.533 1.00 44.32 C ATOM 1221 CD1 ILE A 79 0.653 -12.624 -18.541 1.00 35.32 C ATOM 0 H ILE A 79 -0.820 -16.598 -17.121 1.00 15.11 H new ATOM 0 HA ILE A 79 1.223 -15.374 -15.384 1.00 34.54 H new ATOM 0 HB ILE A 79 -1.043 -13.922 -16.810 1.00 71.23 H new ATOM 0 HG12 ILE A 79 1.931 -13.921 -17.429 1.00 45.24 H new ATOM 0 HG13 ILE A 79 0.710 -14.750 -18.374 1.00 45.24 H new ATOM 0 HG21 ILE A 79 0.125 -11.896 -16.041 1.00 44.32 H new ATOM 0 HG22 ILE A 79 -0.388 -12.916 -14.677 1.00 44.32 H new ATOM 0 HG23 ILE A 79 1.316 -12.908 -15.191 1.00 44.32 H new ATOM 0 HD11 ILE A 79 1.317 -12.617 -19.406 1.00 35.32 H new ATOM 0 HD12 ILE A 79 -0.383 -12.594 -18.879 1.00 35.32 H new ATOM 0 HD13 ILE A 79 0.857 -11.752 -17.919 1.00 35.32 H new ATOM 1233 N GLU A 80 -2.069 -15.638 -15.034 1.00 61.42 N ATOM 1234 CA GLU A 80 -3.135 -15.788 -14.051 1.00 12.10 C ATOM 1235 C GLU A 80 -2.793 -16.878 -13.039 1.00 55.03 C ATOM 1236 O GLU A 80 -3.126 -16.770 -11.860 1.00 1.35 O ATOM 1237 CB GLU A 80 -4.458 -16.119 -14.746 1.00 44.42 C ATOM 1238 CG GLU A 80 -4.376 -17.325 -15.667 1.00 13.23 C ATOM 1239 CD GLU A 80 -5.646 -17.532 -16.470 1.00 24.21 C ATOM 1240 OE1 GLU A 80 -6.668 -17.927 -15.873 1.00 35.43 O ATOM 1241 OE2 GLU A 80 -5.615 -17.299 -17.697 1.00 15.35 O ATOM 0 H GLU A 80 -2.384 -15.657 -16.004 1.00 61.42 H new ATOM 0 HA GLU A 80 -3.239 -14.842 -13.519 1.00 12.10 H new ATOM 0 HB2 GLU A 80 -5.221 -16.302 -13.989 1.00 44.42 H new ATOM 0 HB3 GLU A 80 -4.782 -15.253 -15.323 1.00 44.42 H new ATOM 0 HG2 GLU A 80 -3.535 -17.200 -16.349 1.00 13.23 H new ATOM 0 HG3 GLU A 80 -4.176 -18.217 -15.074 1.00 13.23 H new ATOM 1248 N GLU A 81 -2.128 -17.928 -13.511 1.00 41.41 N ATOM 1249 CA GLU A 81 -1.743 -19.038 -12.648 1.00 5.10 C ATOM 1250 C GLU A 81 -0.820 -18.562 -11.529 1.00 73.50 C ATOM 1251 O GLU A 81 -1.057 -18.840 -10.353 1.00 11.03 O ATOM 1252 CB GLU A 81 -1.050 -20.131 -13.464 1.00 72.25 C ATOM 1253 CG GLU A 81 -1.735 -21.485 -13.373 1.00 42.44 C ATOM 1254 CD GLU A 81 -1.682 -22.254 -14.679 1.00 55.21 C ATOM 1255 OE1 GLU A 81 -2.677 -22.935 -15.006 1.00 52.41 O ATOM 1256 OE2 GLU A 81 -0.648 -22.176 -15.374 1.00 3.45 O ATOM 0 H GLU A 81 -1.845 -18.033 -14.485 1.00 41.41 H new ATOM 0 HA GLU A 81 -2.648 -19.447 -12.200 1.00 5.10 H new ATOM 0 HB2 GLU A 81 -1.010 -19.823 -14.509 1.00 72.25 H new ATOM 0 HB3 GLU A 81 -0.020 -20.230 -13.122 1.00 72.25 H new ATOM 0 HG2 GLU A 81 -1.262 -22.075 -12.588 1.00 42.44 H new ATOM 0 HG3 GLU A 81 -2.776 -21.343 -13.081 1.00 42.44 H new ATOM 1263 N THR A 82 0.234 -17.844 -11.904 1.00 31.22 N ATOM 1264 CA THR A 82 1.193 -17.331 -10.934 1.00 22.31 C ATOM 1265 C THR A 82 0.579 -16.223 -10.087 1.00 3.52 C ATOM 1266 O THR A 82 0.744 -16.195 -8.867 1.00 44.21 O ATOM 1267 CB THR A 82 2.459 -16.792 -11.627 1.00 14.43 C ATOM 1268 OG1 THR A 82 2.904 -17.718 -12.623 1.00 63.05 O ATOM 1269 CG2 THR A 82 3.570 -16.554 -10.615 1.00 54.33 C ATOM 0 H THR A 82 0.445 -17.605 -12.873 1.00 31.22 H new ATOM 0 HA THR A 82 1.469 -18.166 -10.290 1.00 22.31 H new ATOM 0 HB THR A 82 2.211 -15.842 -12.100 1.00 14.43 H new ATOM 0 HG1 THR A 82 3.877 -17.654 -12.717 1.00 63.05 H new ATOM 0 HG21 THR A 82 4.454 -16.174 -11.127 1.00 54.33 H new ATOM 0 HG22 THR A 82 3.238 -15.826 -9.875 1.00 54.33 H new ATOM 0 HG23 THR A 82 3.815 -17.492 -10.117 1.00 54.33 H new ATOM 1277 N LYS A 83 -0.131 -15.309 -10.741 1.00 23.25 N ATOM 1278 CA LYS A 83 -0.772 -14.198 -10.048 1.00 30.13 C ATOM 1279 C LYS A 83 -1.612 -14.699 -8.877 1.00 40.21 C ATOM 1280 O LYS A 83 -1.713 -14.035 -7.846 1.00 1.31 O ATOM 1281 CB LYS A 83 -1.651 -13.405 -11.017 1.00 41.33 C ATOM 1282 CG LYS A 83 -0.906 -12.902 -12.242 1.00 22.42 C ATOM 1283 CD LYS A 83 -0.496 -11.447 -12.087 1.00 71.44 C ATOM 1284 CE LYS A 83 0.446 -11.256 -10.909 1.00 2.31 C ATOM 1285 NZ LYS A 83 1.706 -12.032 -11.074 1.00 30.40 N ATOM 0 H LYS A 83 -0.277 -15.316 -11.751 1.00 23.25 H new ATOM 0 HA LYS A 83 0.010 -13.546 -9.659 1.00 30.13 H new ATOM 0 HB2 LYS A 83 -2.481 -14.034 -11.340 1.00 41.33 H new ATOM 0 HB3 LYS A 83 -2.082 -12.554 -10.490 1.00 41.33 H new ATOM 0 HG2 LYS A 83 -0.020 -13.515 -12.407 1.00 22.42 H new ATOM 0 HG3 LYS A 83 -1.538 -13.011 -13.123 1.00 22.42 H new ATOM 0 HD2 LYS A 83 -0.011 -11.105 -13.001 1.00 71.44 H new ATOM 0 HD3 LYS A 83 -1.384 -10.830 -11.948 1.00 71.44 H new ATOM 0 HE2 LYS A 83 0.683 -10.198 -10.802 1.00 2.31 H new ATOM 0 HE3 LYS A 83 -0.053 -11.566 -9.991 1.00 2.31 H new ATOM 0 HZ1 LYS A 83 2.477 -11.555 -10.564 1.00 30.40 H new ATOM 0 HZ2 LYS A 83 1.577 -12.990 -10.689 1.00 30.40 H new ATOM 0 HZ3 LYS A 83 1.946 -12.094 -12.084 1.00 30.40 H new ATOM 1299 N GLN A 84 -2.211 -15.874 -9.044 1.00 42.51 N ATOM 1300 CA GLN A 84 -3.041 -16.462 -8.000 1.00 30.40 C ATOM 1301 C GLN A 84 -2.233 -16.693 -6.727 1.00 61.13 C ATOM 1302 O GLN A 84 -2.749 -16.550 -5.619 1.00 72.04 O ATOM 1303 CB GLN A 84 -3.643 -17.783 -8.482 1.00 73.23 C ATOM 1304 CG GLN A 84 -4.956 -17.616 -9.230 1.00 33.10 C ATOM 1305 CD GLN A 84 -5.826 -18.856 -9.166 1.00 52.11 C ATOM 1306 OE1 GLN A 84 -6.812 -18.900 -8.429 1.00 43.41 O ATOM 1307 NE2 GLN A 84 -5.466 -19.873 -9.940 1.00 42.22 N ATOM 0 H GLN A 84 -2.137 -16.437 -9.892 1.00 42.51 H new ATOM 0 HA GLN A 84 -3.847 -15.763 -7.775 1.00 30.40 H new ATOM 0 HB2 GLN A 84 -2.925 -18.284 -9.132 1.00 73.23 H new ATOM 0 HB3 GLN A 84 -3.804 -18.434 -7.623 1.00 73.23 H new ATOM 0 HG2 GLN A 84 -5.503 -16.771 -8.812 1.00 33.10 H new ATOM 0 HG3 GLN A 84 -4.748 -17.376 -10.273 1.00 33.10 H new ATOM 0 HE21 GLN A 84 -4.642 -19.794 -10.535 1.00 42.22 H new ATOM 0 HE22 GLN A 84 -6.014 -20.733 -9.939 1.00 42.22 H new ATOM 1316 N GLN A 85 -0.964 -17.051 -6.895 1.00 1.03 N ATOM 1317 CA GLN A 85 -0.085 -17.302 -5.758 1.00 74.55 C ATOM 1318 C GLN A 85 0.346 -15.994 -5.104 1.00 31.22 C ATOM 1319 O GLN A 85 0.217 -15.824 -3.891 1.00 62.01 O ATOM 1320 CB GLN A 85 1.146 -18.094 -6.204 1.00 14.21 C ATOM 1321 CG GLN A 85 0.811 -19.331 -7.020 1.00 75.45 C ATOM 1322 CD GLN A 85 -0.292 -20.163 -6.395 1.00 0.34 C ATOM 1323 OE1 GLN A 85 -0.139 -20.689 -5.292 1.00 64.31 O ATOM 1324 NE2 GLN A 85 -1.413 -20.285 -7.096 1.00 44.14 N ATOM 0 H GLN A 85 -0.522 -17.174 -7.806 1.00 1.03 H new ATOM 0 HA GLN A 85 -0.639 -17.888 -5.024 1.00 74.55 H new ATOM 0 HB2 GLN A 85 1.792 -17.444 -6.794 1.00 14.21 H new ATOM 0 HB3 GLN A 85 1.714 -18.393 -5.323 1.00 14.21 H new ATOM 0 HG2 GLN A 85 0.509 -19.029 -8.023 1.00 75.45 H new ATOM 0 HG3 GLN A 85 1.706 -19.944 -7.128 1.00 75.45 H new ATOM 0 HE21 GLN A 85 -1.497 -19.832 -8.006 1.00 44.14 H new ATOM 0 HE22 GLN A 85 -2.190 -20.831 -6.724 1.00 44.14 H new ATOM 1333 N ILE A 86 0.858 -15.074 -5.914 1.00 0.12 N ATOM 1334 CA ILE A 86 1.307 -13.781 -5.413 1.00 5.02 C ATOM 1335 C ILE A 86 0.161 -13.015 -4.762 1.00 12.20 C ATOM 1336 O ILE A 86 0.343 -12.354 -3.738 1.00 71.33 O ATOM 1337 CB ILE A 86 1.912 -12.920 -6.538 1.00 73.30 C ATOM 1338 CG1 ILE A 86 3.117 -13.628 -7.160 1.00 61.21 C ATOM 1339 CG2 ILE A 86 2.311 -11.553 -6.003 1.00 24.42 C ATOM 1340 CD1 ILE A 86 2.834 -14.219 -8.524 1.00 14.25 C ATOM 0 H ILE A 86 0.972 -15.200 -6.920 1.00 0.12 H new ATOM 0 HA ILE A 86 2.076 -13.982 -4.667 1.00 5.02 H new ATOM 0 HB ILE A 86 1.158 -12.779 -7.313 1.00 73.30 H new ATOM 0 HG12 ILE A 86 3.941 -12.919 -7.244 1.00 61.21 H new ATOM 0 HG13 ILE A 86 3.447 -14.422 -6.490 1.00 61.21 H new ATOM 0 HG21 ILE A 86 2.737 -10.957 -6.810 1.00 24.42 H new ATOM 0 HG22 ILE A 86 1.432 -11.048 -5.603 1.00 24.42 H new ATOM 0 HG23 ILE A 86 3.051 -11.674 -5.212 1.00 24.42 H new ATOM 0 HD11 ILE A 86 3.733 -14.705 -8.904 1.00 14.25 H new ATOM 0 HD12 ILE A 86 2.032 -14.952 -8.443 1.00 14.25 H new ATOM 0 HD13 ILE A 86 2.533 -13.426 -9.209 1.00 14.25 H new ATOM 1352 N LEU A 87 -1.021 -13.109 -5.361 1.00 11.40 N ATOM 1353 CA LEU A 87 -2.200 -12.426 -4.839 1.00 2.21 C ATOM 1354 C LEU A 87 -2.549 -12.933 -3.443 1.00 54.05 C ATOM 1355 O LEU A 87 -3.000 -12.170 -2.588 1.00 71.20 O ATOM 1356 CB LEU A 87 -3.389 -12.627 -5.780 1.00 22.21 C ATOM 1357 CG LEU A 87 -4.582 -11.696 -5.562 1.00 74.51 C ATOM 1358 CD1 LEU A 87 -4.203 -10.258 -5.880 1.00 21.52 C ATOM 1359 CD2 LEU A 87 -5.765 -12.138 -6.412 1.00 30.12 C ATOM 0 H LEU A 87 -1.189 -13.651 -6.208 1.00 11.40 H new ATOM 0 HA LEU A 87 -1.974 -11.362 -4.773 1.00 2.21 H new ATOM 0 HB2 LEU A 87 -3.040 -12.504 -6.805 1.00 22.21 H new ATOM 0 HB3 LEU A 87 -3.734 -13.656 -5.682 1.00 22.21 H new ATOM 0 HG LEU A 87 -4.873 -11.749 -4.513 1.00 74.51 H new ATOM 0 HD11 LEU A 87 -5.065 -9.610 -5.719 1.00 21.52 H new ATOM 0 HD12 LEU A 87 -3.387 -9.944 -5.229 1.00 21.52 H new ATOM 0 HD13 LEU A 87 -3.885 -10.187 -6.920 1.00 21.52 H new ATOM 0 HD21 LEU A 87 -6.605 -11.464 -6.244 1.00 30.12 H new ATOM 0 HD22 LEU A 87 -5.485 -12.114 -7.465 1.00 30.12 H new ATOM 0 HD23 LEU A 87 -6.053 -13.152 -6.136 1.00 30.12 H new ATOM 1371 N THR A 88 -2.337 -14.226 -3.219 1.00 1.02 N ATOM 1372 CA THR A 88 -2.628 -14.835 -1.927 1.00 73.33 C ATOM 1373 C THR A 88 -1.979 -14.054 -0.791 1.00 44.54 C ATOM 1374 O THR A 88 -2.533 -13.955 0.303 1.00 73.25 O ATOM 1375 CB THR A 88 -2.143 -16.296 -1.873 1.00 71.22 C ATOM 1376 OG1 THR A 88 -2.804 -17.070 -2.881 1.00 44.52 O ATOM 1377 CG2 THR A 88 -2.409 -16.905 -0.505 1.00 14.55 C ATOM 0 H THR A 88 -1.965 -14.872 -3.915 1.00 1.02 H new ATOM 0 HA THR A 88 -3.711 -14.814 -1.805 1.00 73.33 H new ATOM 0 HB THR A 88 -1.068 -16.305 -2.055 1.00 71.22 H new ATOM 0 HG1 THR A 88 -2.578 -16.716 -3.766 1.00 44.52 H new ATOM 0 HG21 THR A 88 -2.058 -17.937 -0.492 1.00 14.55 H new ATOM 0 HG22 THR A 88 -1.881 -16.332 0.257 1.00 14.55 H new ATOM 0 HG23 THR A 88 -3.479 -16.883 -0.299 1.00 14.55 H new ATOM 1385 N GLU A 89 -0.800 -13.499 -1.059 1.00 14.20 N ATOM 1386 CA GLU A 89 -0.076 -12.725 -0.057 1.00 61.43 C ATOM 1387 C GLU A 89 -0.263 -11.228 -0.286 1.00 64.32 C ATOM 1388 O GLU A 89 -0.353 -10.450 0.664 1.00 15.11 O ATOM 1389 CB GLU A 89 1.413 -13.076 -0.089 1.00 42.44 C ATOM 1390 CG GLU A 89 2.053 -12.890 -1.455 1.00 72.32 C ATOM 1391 CD GLU A 89 3.543 -13.172 -1.445 1.00 33.42 C ATOM 1392 OE1 GLU A 89 4.300 -12.347 -0.892 1.00 74.32 O ATOM 1393 OE2 GLU A 89 3.951 -14.219 -1.990 1.00 23.44 O ATOM 0 H GLU A 89 -0.327 -13.571 -1.960 1.00 14.20 H new ATOM 0 HA GLU A 89 -0.481 -12.977 0.923 1.00 61.43 H new ATOM 0 HB2 GLU A 89 1.939 -12.456 0.637 1.00 42.44 H new ATOM 0 HB3 GLU A 89 1.540 -14.112 0.225 1.00 42.44 H new ATOM 0 HG2 GLU A 89 1.567 -13.551 -2.173 1.00 72.32 H new ATOM 0 HG3 GLU A 89 1.883 -11.869 -1.796 1.00 72.32 H new ATOM 1400 N LEU A 90 -0.318 -10.832 -1.553 1.00 32.01 N ATOM 1401 CA LEU A 90 -0.493 -9.428 -1.908 1.00 75.14 C ATOM 1402 C LEU A 90 -1.713 -8.837 -1.208 1.00 70.23 C ATOM 1403 O LEU A 90 -1.589 -7.929 -0.387 1.00 21.20 O ATOM 1404 CB LEU A 90 -0.640 -9.280 -3.424 1.00 5.31 C ATOM 1405 CG LEU A 90 -0.179 -7.947 -4.015 1.00 52.12 C ATOM 1406 CD1 LEU A 90 1.292 -7.708 -3.711 1.00 54.44 C ATOM 1407 CD2 LEU A 90 -0.428 -7.915 -5.516 1.00 63.22 C ATOM 0 H LEU A 90 -0.244 -11.463 -2.351 1.00 32.01 H new ATOM 0 HA LEU A 90 0.392 -8.883 -1.579 1.00 75.14 H new ATOM 0 HB2 LEU A 90 -0.078 -10.081 -3.904 1.00 5.31 H new ATOM 0 HB3 LEU A 90 -1.688 -9.427 -3.684 1.00 5.31 H new ATOM 0 HG LEU A 90 -0.758 -7.147 -3.554 1.00 52.12 H new ATOM 0 HD11 LEU A 90 1.602 -6.755 -4.139 1.00 54.44 H new ATOM 0 HD12 LEU A 90 1.442 -7.686 -2.632 1.00 54.44 H new ATOM 0 HD13 LEU A 90 1.888 -8.511 -4.144 1.00 54.44 H new ATOM 0 HD21 LEU A 90 -0.094 -6.959 -5.920 1.00 63.22 H new ATOM 0 HD22 LEU A 90 0.125 -8.724 -5.994 1.00 63.22 H new ATOM 0 HD23 LEU A 90 -1.493 -8.039 -5.711 1.00 63.22 H new ATOM 1419 N GLN A 91 -2.889 -9.360 -1.538 1.00 35.51 N ATOM 1420 CA GLN A 91 -4.131 -8.885 -0.939 1.00 71.21 C ATOM 1421 C GLN A 91 -4.663 -9.888 0.080 1.00 43.32 C ATOM 1422 O GLN A 91 -5.873 -10.027 0.256 1.00 32.53 O ATOM 1423 CB GLN A 91 -5.182 -8.635 -2.023 1.00 24.45 C ATOM 1424 CG GLN A 91 -5.528 -9.875 -2.832 1.00 4.12 C ATOM 1425 CD GLN A 91 -6.777 -10.570 -2.329 1.00 74.10 C ATOM 1426 OE1 GLN A 91 -7.886 -10.050 -2.460 1.00 30.42 O ATOM 1427 NE2 GLN A 91 -6.605 -11.752 -1.750 1.00 20.52 N ATOM 0 H GLN A 91 -3.008 -10.112 -2.216 1.00 35.51 H new ATOM 0 HA GLN A 91 -3.921 -7.948 -0.423 1.00 71.21 H new ATOM 0 HB2 GLN A 91 -6.089 -8.251 -1.556 1.00 24.45 H new ATOM 0 HB3 GLN A 91 -4.818 -7.860 -2.698 1.00 24.45 H new ATOM 0 HG2 GLN A 91 -5.668 -9.595 -3.876 1.00 4.12 H new ATOM 0 HG3 GLN A 91 -4.690 -10.572 -2.798 1.00 4.12 H new ATOM 0 HE21 GLN A 91 -5.668 -12.146 -1.663 1.00 20.52 H new ATOM 0 HE22 GLN A 91 -7.410 -12.267 -1.393 1.00 20.52 H new ATOM 1436 N LYS A 92 -3.750 -10.585 0.748 1.00 12.55 N ATOM 1437 CA LYS A 92 -4.126 -11.574 1.751 1.00 22.31 C ATOM 1438 C LYS A 92 -5.114 -10.986 2.753 1.00 2.32 C ATOM 1439 O LYS A 92 -6.138 -11.596 3.061 1.00 11.41 O ATOM 1440 CB LYS A 92 -2.883 -12.085 2.484 1.00 72.22 C ATOM 1441 CG LYS A 92 -3.079 -13.440 3.142 1.00 13.12 C ATOM 1442 CD LYS A 92 -1.771 -14.207 3.240 1.00 53.02 C ATOM 1443 CE LYS A 92 -0.747 -13.457 4.078 1.00 61.52 C ATOM 1444 NZ LYS A 92 -1.274 -13.122 5.429 1.00 15.33 N ATOM 0 H LYS A 92 -2.744 -10.483 0.613 1.00 12.55 H new ATOM 0 HA LYS A 92 -4.608 -12.407 1.240 1.00 22.31 H new ATOM 0 HB2 LYS A 92 -2.056 -12.150 1.777 1.00 72.22 H new ATOM 0 HB3 LYS A 92 -2.596 -11.359 3.245 1.00 72.22 H new ATOM 0 HG2 LYS A 92 -3.498 -13.304 4.139 1.00 13.12 H new ATOM 0 HG3 LYS A 92 -3.801 -14.022 2.570 1.00 13.12 H new ATOM 0 HD2 LYS A 92 -1.955 -15.187 3.680 1.00 53.02 H new ATOM 0 HD3 LYS A 92 -1.371 -14.376 2.240 1.00 53.02 H new ATOM 0 HE2 LYS A 92 0.153 -14.063 4.179 1.00 61.52 H new ATOM 0 HE3 LYS A 92 -0.458 -12.541 3.564 1.00 61.52 H new ATOM 0 HZ1 LYS A 92 -0.491 -12.814 6.041 1.00 15.33 H new ATOM 0 HZ2 LYS A 92 -1.973 -12.356 5.349 1.00 15.33 H new ATOM 0 HZ3 LYS A 92 -1.727 -13.962 5.843 1.00 15.33 H new